smiles,activity,HIV_active
CCOP(=O)(Nc1cccc(Cl)c1)OCC,CI,0
O=C(O)c1ccccc1O,CI,0
CCOP(N)(=O)c1ccccc1,CI,0
NNP(=S)(NN)c1ccccc1,CM,1
Nc1c(Cl)cc(Cl)cc1C(=O)O,CI,0
O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O,CI,0
NC(=O)c1cc(O)c(O)c(O)c1,CI,0
Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl,CI,0
CCOC(=O)CNS(=O)(=O)c1ccccc1,CI,0
O=Nc1ccc(O)c(N=O)c1O,CM,1
CCCCCCc1ccc(O)cc1O,CI,0
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,CI,0
O=C(O)c1ccccc1S,CI,0
CCCC(O)CNCc1ccc(N(C)C)cc1,CI,0
CN(C)c1ccc(N=O)cc1,CI,0
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,CI,0
O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,CI,0
O=Nc1ccc(O)cc1,CI,0
N#CNC(=N)NC(=O)C=CC=Cc1ccc(Cl)cc1,CI,0
COc1ccc(C=CC(=O)O)cc1OC,CI,0
O=Nc1ccc(N=O)cc1,CI,0
Cc1cc(O)cc(C)c1Cl,CI,0
O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,CI,0
CC(C)c1cccc(C(C)C)c1O,CI,0
O=Nc1ccc(O)cc1O,CI,0
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,CI,0
O=C(O)c1cc(I)cc(I)c1O,CI,0
Nc1cc(Cl)ccc1S,CI,0
CC(=O)Nc1ccccc1,CI,0
O=C(O)c1cc(O)ccc1O,CI,0
COc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1OC,CI,0
CSP(=S)(SC)SC(C)c1ccc(C)cc1,CI,0
CSc1ccc(C=NC(=N)SN)cc1C,CI,0
O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O,CI,0
CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O,CI,0
Nc1cccc(P(N)(N)=O)c1,CI,0
CCCCC(CC)CN(Cc1cc(CN(CC(CC)CCCC)CC(CC)CCCC)c(O)c(CN(CC(CC)CCCC)CC(CC)CCCC)c1)CC(CC)CCCC,CI,0
CCN(CC)CC(=O)Nc1ccc(CO)cc1,CI,0
Cc1ccc(C(=O)O)c(O)c1,CI,0
CCCCN(CCCC)NC(=S)Nc1ccccc1,CI,0
CC(C)=CC(C)=NNS(=O)(=O)c1ccc(N)cc1,CI,0
CCOC(=O)CC(C)=NNS(=O)(=O)c1ccc(N)cc1,CI,0
CCCCC(CC)=NNS(=O)(=O)c1ccc(NC(C)=O)cc1,CI,0
N=C(N)Nc1ccc(N)cc1,CI,0
O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl,CI,0
CC(Cc1ccccc1)NN(CS(=O)(=O)O)CS(=O)(=O)O,CI,0
CCCOC(=O)c1ccc(N)cc1,CI,0
CC(C)COC(=O)c1ccc(N)cc1,CI,0
CC(=O)Oc1ccccc1C(=O)O,CI,0
O=C(NCc1ccccc1)OCCO,CI,0
O=[N+]([O-])OCCOc1ccc([As](=O)(O)O)cc1[N+](=O)[O-],CI,0
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,CI,0
N#CCCCC(=NO)C(=O)OCc1ccccc1,CI,0
O=C(O)CCc1ccc(NC(=O)CN(CCO)CCO)cc1,CI,0
CCCC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1,CI,0
CCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1,CI,0
CCN(CC)CC(=O)Nc1c(C)ccc(N)c1C,CI,0
CCN(CC)CC(=O)Nc1c(C)cc(C(=O)NN)cc1C,CI,0
NCc1ccc(S(N)(=O)=O)cc1,CI,0
C=C(CN(C)C)C(=O)c1ccccc1[N+](=O)[O-],CI,0
COc1ccc(CCNC=O)cc1OC,CI,0
O=S(=O)(SCCO)c1ccccc1,CI,0
CCN(CC)CC(O)CN(CC(=O)Nc1c(C)cccc1C)CC(C)C,CI,0
CCCN(CCC)CC(=O)Nc1cccc(Cl)c1C,CI,0
CCN(CC)C(C(=O)Nc1c(C)cccc1C)N(CC)CC,CI,0
Cc1ccc(O)cc1C(=O)O,CI,0
CCN(CC)CC(=O)N(CC)c1ccc(C)c(Cl)c1,CI,0
CCN(CC)CC(=O)Nc1cc(Cl)ccc1OC,CI,0
C=CCOc1c(C)cc(C#N)cc1C,CI,0
CCCC(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C,CI,0
CCCC(C)C(=N)Nc1ccc(Cl)c(Cl)c1,CI,0
CN(C)C(=N)OCc1ccccc1,CI,0
CC(C)C(=N)Nc1ccc(Cl)c(Cl)c1,CI,0
CN(C)Cc1cc(O)c(CN(C)C)cc1O,CI,0
CN(C)C(=O)COc1ccc(Cl)cc1Cl,CI,0
C=CCNC(=S)Nc1ccc(Cl)cc1,CI,0
O=C(Nc1ccc(Cl)cc1)NC(O)C(Cl)(Cl)Cl,CI,0
N=C(N)Oc1ccc(Cl)cc1,CI,0
C#CC(O)c1ccc(OC)c(OC)c1,CI,0
Nc1ccc(S(=O)(=O)C(=O)O)cc1,CI,0
CCN(CC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1,CI,0
CCCCOC(=O)c1ccc(NC(=O)C(C)N(CC)CC)cc1,CI,0
CCN(CC)CC(=O)Nc1ccc(C)c(Cl)c1,CI,0
CCN(CC)CC(=O)Nc1cccc(Cl)c1,CI,0
CCN(CC)CC(=O)Nc1cc(Cl)ccc1C,CI,0
CCN(CC)CCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1,CI,0
CCCCCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1,CI,0
CCCCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1,CI,0
CCOC(=O)c1ccccc1NC(=O)CN(CC)CC,CI,0
CCN(CC)CC(=O)Nc1cccc(C(=O)OC(C)C)c1,CI,0
CCCCCOC(=O)c1cccc(NC(=O)CN(CC)CC)c1,CI,0
CCN(CC)CC(=O)Nc1cc(C)ccc1Cl,CI,0
CS(=O)(=O)Sc1ccc(Cl)cc1,CI,0
Cc1ccc(NC=O)cc1F,CI,0
CC(=O)NC(CCC(=O)c1ccc(Cl)cc1)(C(=O)O)C(=O)O,CI,0
O=[As]c1ccc(C(=O)O)cc1,CI,0
CCCCN(CCCC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1,CI,0
CCCCCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1,CI,0
CC(C)CN(CC(=O)Nc1cccc(Cl)c1)CC(C)C,CI,0
CCN(CC)CC(=O)Nc1ccccc1C,CI,0
CCN(CC)CC(=O)Nc1cc(NC(=O)CN(CC)CC)c(C)c(NC(=O)CN(CC)CC)c1,CI,0
Cc1c(Cl)cccc1NC(=O)CN(CC(C)C)CC(C)C,CI,0
CCOCC(CN(CC)CC)N(CC)CC(=O)Nc1c(C)cccc1C,CI,0
CCN(CC)C(C)C(=O)Nc1cccc(Cl)c1C,CI,0
N#CNC(=N)NC(=O)c1ccccc1,CI,0
O=C(CS)Nc1cccc(O)c1,CI,0
COc1ccc(C(C)=NN)cc1,CI,0
NC(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O,CI,0
CCOC(=N)COC(=O)c1ccccc1,CI,0
C#CCN(C)Cc1ccccc1,CI,0
CC(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C,CI,0
CCC(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C,CI,0
C=C(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C,CI,0
CCOc1ccc(N)c(S)c1,CI,0
Cc1c(N=O)cc(C(C)C)c(O)c1I,CI,0
NC(=O)C(N)c1ccccc1,CI,0
COc1cc(NC=O)c(OC)cc1Cl,CI,0
CN(C)C(C(N)=O)c1ccccc1,CI,0
CN(C)C(C(N)=O)c1ccc(Cl)cc1,CI,0
O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl,CI,0
CC(C)(C)c1ccc(N=O)cc1,CI,0
COc1cc(N=O)c(N=O)cc1[N+](=O)[O-],CI,0
COc1cc(NC(C)=O)c(OC)cc1Cl,CI,0
CC(C=Cc1ccccc1Cl)=NC(=S)NC(N)=S,CI,0
CC(C=Cc1ccc(N(C)C)cc1)=NNC(=S)NCC(C)C,CI,0
Cc1cccc(Cl)c1NC=O,CI,0
CCCCCCCNC(=S)NN=Cc1ccccc1O,CI,0
CCCCCCc1cc(S(=O)(=O)O)c(O)cc1O,CI,0
COc1ccc(CC[N+](C)(C)C)cc1,CI,0
O=C(NNc1ccccc1)C(O)C(O)C(O)C(O)C(O)CO,CI,0
CCOC(=O)C(=CNc1cccc(NC=C(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC,CI,0
CCOC(=O)C(c1ccccc1)[N+](C)(C)C,CI,0
O=C(O)CCC(=O)Nc1ccccc1,CI,0
N#CSCc1ccc(Cl)cc1,CI,0
O=C(O)C=Cc1ccc(O)c(O)c1,CI,0
CCCCOC(=O)N(CCCC)c1ccccc1,CI,0
NP(N)(=O)Nc1ccccc1,CI,0
COP(=O)(OC)Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl,CI,0
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
COc1ccc(C(C(N)=O)N(C)C)cc1,CI,0
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,CI,0
CN(C)c1ccc(N=O)c(O)c1,CI,0
COc1ccccc1OCC(O)CO,CI,0
CN(C)C(=S)Nc1ccc(Cl)cc1,CI,0
O=[N+]([O-])C(Cl)C(Cl)c1ccc(Cl)cc1,CI,0
NS(=O)(=O)c1ccc(NC(=O)C=CC(=O)O)cc1,CI,0
O=Nc1ccccc1,CI,0
CN(C)Cc1cc(CN(C)C)cc(CN(C)C)c1,CI,0
N=C(Cc1ccc(Cl)cc1)NO,CI,0
CCOP(=O)(OCC)C(C)(C)N.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CI,0
N=C(Nc1ccccc1)C(F)(F)F,CI,0
N=C(NNS(=O)(=O)c1ccccc1)C(F)(F)F,CI,0
CCOP(=O)(C=C(Cl)c1ccccc1)OCC,CI,0
CCOP(=O)(C=Cc1ccccc1)OCC,CI,0
CCCCCCCCCCNP(=S)(NCCCCCCCCCC)c1ccccc1,CI,0
N#CNC(=N)Nc1ccc(Cl)cc1,CI,0
CC(=O)C(C)(O)C(OP(=O)(O)O)c1ccccc1,CI,0
Cc1c(C)c(CC(C)(COS(C)(=O)=O)COS(C)(=O)=O)c(C)c(C)c1CC(C)(COS(C)(=O)=O)COS(C)(=O)=O,CI,0
OCCN(CCO)c1cc(Cl)c(Cl)cc1Cl,CI,0
CCOC(=O)c1ccc(N(CCC(CN)=NNC(N)=O)C(C)=O)cc1,CI,0
O=S(OO)c1cc(Cl)c(O)c(Cl)c1,CI,0
CNNCc1ccc(C(=O)NC(C)C)cc1,CI,0
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,CI,0
CN(C)Cc1ccccc1CCO,CI,0
N#CC(Cc1ccccc1)C(N)=O,CI,0
O=[N+]([O-])C=Cc1ccc(O)cc1,CI,0
O=C(O)C=CC(=O)Nc1ccccc1O,CI,0
COP(=O)(OC)C(=O)c1ccccc1,CI,0
NC(=O)OCC(O)COc1ccc(Cl)cc1,CI,0
CC(C)c1ccc(C(C(=O)O)=C(O)C(=O)O)cc1,CI,0
CCNC(=N)Nc1ccccc1,CI,0
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,CI,0
NC(=O)C(F)(Cc1ccccc1)C(=O)O,CI,0
CC(=NNC(=N)N)C(N=Nc1ccc(S(N)(=O)=O)cc1)=NNC(=N)N,CI,0
Fc1c(F)c(F)c(S)c(F)c1F,CM,1
O=Nc1c(N=O)c(N=O)c(N=O)c(N=O)c1N=O,CI,0
NC(F)(Cc1ccccc1)C(=O)O,CI,0
N=C(N)NNCCOc1c(Cl)cccc1Cl.O=S(=O)(O)O,CI,0
N#CC(Cc1ccccc1)C(=O)NN,CI,0
O=C(NCCCl)c1ccc(Cl)c(Cl)c1,CI,0
Cc1ccc(C(=O)NCCCl)cc1C,CI,0
O=C(O)CCSSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Fc1cc(F)c(F)c(S)c1F,CM,1
Cc1ccc(C[N+](C)(C)N)cc1C,CI,0
COc1ccc(C[N+](C)(C)N)cc1OC,CI,0
CC(=N[N+](C)(C)C)c1ccc(C)c(C)c1,CI,0
CCOc1ccc(C=N[N+](C)(C)C)cc1OCC,CI,0
COc1cc(C=NNC(=O)C[N+](C)(C)C)cc(OC)c1OC,CI,0
N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1,CI,0
CCCCS(C)=NS(=O)(=O)c1ccc(C)cc1,CI,0
Clc1cc(Cl)c(OCC#CI)cc1Cl,CI,0
COc1cc(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(NC(C)=O)c(OC)c1OC,CI,0
COc1cccc(C=N[N+](C)(C)C)c1O,CI,0
O=C(NCCCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
CC(C)NC(=O)C=CC=Cc1ccc(Cl)cc1,CI,0
CCOC(=O)C(=Cc1ccc(C)cc1)P(=O)(OCC)OCC,CM,1
CCOC(=O)C(=Cc1ccc(OC)cc1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)P(=O)(OCC)OCC,CI,0
CCN(CCO)c1ccc(N=O)cc1,CI,0
CC(C)(N)Cc1ccccc1Cl,CI,0
COc1ccc(C(=O)C(Br)=CC(=O)O)cc1,CI,0
O=Nc1ccc(N(CCO)CCO)cc1,CI,0
Cc1ccc(O)c(N=O)c1,CI,0
CNC(=NCc1ccccc1)NC.O=S(=O)(O)O,CI,0
CC(=O)Nc1ccc(OC(C)(C)C)cc1,CI,0
COc1ccc(OC)c(C(O)C(C)NC(C)(C)C)c1,CI,0
COc1cc(C(=O)N(C)N(C)C)cc(OC)c1OC,CI,0
CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I,CI,0
CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I,CI,0
CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl,CI,0
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,CI,0
CCC(O)(COC(N)=O)c1ccccc1,CI,0
CCCCCCCCOP(=O)(C=Cc1ccccc1)OCCCCCCCC,CI,0
CCOC(=O)C(Cc1ccccc1)P(=O)(OCC)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccccc1C(=O)O)C(=O)O,CI,0
CCOP(=O)(OCC)C(N)c1ccc(OC)cc1,CI,0
CCSc1cccc(C(=O)O)c1,CI,0
CCOc1ccc(N=O)c(O)c1,CI,0
NC(Cc1ccc(O)c(O)c1)C(=O)O,CI,0
CCOC(=O)C(=O)N(CC(=O)OC)C(=O)Cc1ccccc1,CM,1
O=[N+]([O-])C=Cc1c(Cl)cccc1Cl,CI,0
CS(=O)(=O)SCc1ccc([N+](=O)[O-])cc1,CI,0
CCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1,CI,0
CCCCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1,CI,0
CCCCCCCCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1,CI,0
CCCCCCCCCCCCSS(=O)(=O)c1ccccc1,CI,0
O=C(NO)Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(NO)Nc1ccc(Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)SCCN)cc1,CI,0
O=C(O)Cc1ccccc1,CI,0
CS(=O)(=O)Sc1ccccc1C(=O)O,CI,0
CCCCOC(=O)c1ccc(N)cc1,CI,0
O=C(CCCc1ccccc1)NO,CI,0
CC(C)(C)c1ccc(Br)c(CCC(=O)NO)c1,CI,0
Cc1ccc(S(=O)(=O)NC(=S)S)cc1,CI,0
CCOP(=O)(OCC)ON=Cc1cccc(C(F)(F)F)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccccc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccccc1OC,CI,0
CCOP(=O)(OCC)C(=Cc1ccccc1)P(=O)(OCC)OCC,CI,0
CNC.COc1cc(C(C#N)S(=O)(=O)O)ccc1O,CI,0
CN(C)N=Nc1cccc(C(N)=O)c1,CI,0
COC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OCc1ccccc1,CI,0
CSCCC(NC(=O)c1ccccc1C(=O)O)C(=O)O,CI,0
CCOC(=O)C(N=O)C(=O)c1ccccc1,CI,0
CCC(=O)C=Cc1ccccc1,CI,0
COc1cccc(CCNC(=O)CC#N)c1,CI,0
O=C(NO)c1ccc(C(=O)NO)c(Br)c1,CI,0
O=[N+]([O-])c1ccc([N+](=O)[O-])c(Cl)c1,CI,0
COC(=O)C=Cc1ccc(Cl)cc1,CI,0
CN(C)N=Nc1ccc(S(N)(=O)=O)cc1,CI,0
CCOC(=O)C(C=Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCC,CI,0
Cc1ccc(NC(=N)NC#N)cc1,CI,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1,CI,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1,CI,0
CN(C)C(=S)SN(C)C(=O)Nc1ccccc1,CI,0
COC(=O)C(CS)NC(=O)CNC(=O)c1ccccc1,CI,0
COC(=O)C(N)CSCc1ccccc1,CI,0
CNC(=O)ON=Cc1cccc(C=NOC(=O)NC)c1,CI,0
COc1cc(C(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC,CI,0
COc1ccc(C(O)C(C)C(O)(C(F)(F)F)C(F)(F)F)cc1,CI,0
CC(C(=O)c1cc(O)c(O)cc1C(O)(C(F)(F)F)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F,CM,1
NNS(=O)(=O)c1ccc(OCC(=O)O)cc1,CI,0
CN(N)P(=O)(c1ccccc1)N(C)N,CI,0
CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O,CI,0
COc1cc(C(=O)NN=CN(C)C)cc(OC)c1OC,CI,0
ON=C(Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F,CI,0
O=C(O)c1c(F)c(F)c(S)c(F)c1F,CM,1
NCCc1ccc(O)c(O)c1,CI,0
CCN(CC)CCOC(=O)c1ccc(N)cc1,CI,0
C=CCC(N)Cc1ccccc1,CI,0
CC(C)P(=S)(OCc1ccccc1)C(C)C,CI,0
CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)CCl,CI,0
O=S(=O)(O)SCc1ccccc1CSS(=O)(=O)O,CI,0
C[S+](C)c1ccccc1.[O-][Cl+3]([O-])([O-])O,CI,0
CN(C)CCC(=O)C=Cc1ccccc1,CI,0
O=C(O)c1ccccc1S(=O)O,CI,0
N=C(CSS(=O)(=O)O)NCCSc1ccc(Cl)cc1,CI,0
N=C(CSS(=O)(=O)O)NCCCc1ccccc1,CI,0
N=C(CSS(=O)(=O)O)NCc1ccccc1,CI,0
N=C(CSS(=O)(=O)O)NCCCCOc1ccccc1,CI,0
Cc1ccc(CNC(=N)CSS(=O)(=O)O)cc1C,CI,0
N=C(CSS(=O)(=O)O)NCCc1ccc(O)cc1,CI,0
O=S(=O)(O)SCNCNCCSCc1ccccc1,CI,0
N=C(CSS(=O)(=O)O)NCCCCc1ccccc1,CI,0
CC(SS(=O)(=O)O)C(=N)NCc1ccccc1,CI,0
N=C(CSS(=O)(=O)O)NCCc1ccccc1,CI,0
N=C(CSS(=O)(=O)O)NCCCOCc1ccccc1,CI,0
CCOC(=N)CNC(=O)c1ccccc1,CI,0
N=C(CS)NCc1ccccc1,CI,0
CCOC(=O)NNP(=O)(NNC(=O)OCC)c1ccccc1,CI,0
COc1cc(C(=O)NCCS(=O)(=O)O)cc(OC)c1OC,CI,0
CCCCOP(=O)(C=Cc1ccc([N+](=O)[O-])cc1)OCCCC,CI,0
O=Nc1ccc(Cl)cc1,CI,0
CNC(=O)OCCOc1ccccc1,CI,0
CCOC(=O)C(Cc1ccccc1[N+](=O)[O-])C(=O)OCC,CI,0
COc1ccc(C)cc1NC(=O)C(Br)C(Br)C(=O)O,CI,0
O=C(O)CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
O=C(CNC(=O)c1ccc(Cl)cc1)NO,CI,0
CC(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1,CI,0
N#CNC(=N)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CCNC(=S)NN=C(c1ccc(OC)cc1)P(=O)(OCC)OCC,CI,0
NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,CI,0
CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O,CI,0
CNCC(=O)c1ccc(O)c(O)c1,CI,0
CC(C)Cc1ccc(C(C)C(=O)O)cc1,CI,0
CCSSC(=Nc1ccccc1)OCC(C)C,CI,0
COC(=Nc1ccccc1)SSC(C)C,CI,0
CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O,CI,0
CC(=COS(=O)(=O)C(F)(F)F)c1ccccc1,CI,0
CC(=CO[Si](C)(C)C)c1ccccc1,CI,0
Cc1ccc(S)c(C(O)(C(F)(F)F)C(F)(F)F)c1,CI,0
COc1cc(Br)c(CCC#N)cc1OC,CI,0
Cc1cc(N(C)C)c(C=O)c(C)c1C=O,CI,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=O)cc1,CI,0
O=NCC(=O)OCc1ccccc1,CI,0
COc1ccc(C(N)=O)cc1N=NN(C)C,CI,0
CCN(C)N=Nc1ccc(C(N)=O)cc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NN=CC(=O)O)cc1,CI,0
Nc1cc(C(F)(F)F)ccc1S,CI,0
Cc1cccc(C)c1N=O,CI,0
Cc1ccc(NC(=O)NC(=O)CCl)cc1,CI,0
CCN(CC)CCC(=O)c1ccccc1,CI,0
CCCCCCCCCCCCN(O)C(=O)c1ccccc1,CI,0
NC(CC(C(=O)O)c1ccccc1)C(=O)O,CI,0
NC(CCC(=O)O)(C(=O)O)c1ccccc1,CI,0
NC(C(=O)O)C(CC(=O)O)c1ccccc1,CI,0
C[S+](C)c1ccccc1NC(C)(C)C.O=C(O)C(F)(F)F,CI,0
CC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,CI,0
CCCC(C)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)=O,CI,0
ClC(Cl)(Cl)SSC(=Nc1ccccc1)SSC(Cl)(Cl)Cl,CI,0
Cc1ccc(N=C(SSC(Cl)(Cl)Cl)SSC(Cl)(Cl)Cl)cc1,CI,0
CC=C=CCN(C)Cc1ccccc1.O=C(O)C(=O)O,CI,0
CC(C)=C=CCN(C)Cc1ccccc1.O=C(O)C(=O)O,CI,0
CCN(CC)CCN(CC)CC(=O)Nc1ccccc1Cl,CI,0
COS(=O)(=O)O.C[S+](C)c1ccc(Cl)cc1,CI,0
CC(C)CC(N)C(=O)NC(C(N)=O)c1ccc(O)cc1.[Na]Cl,CI,0
CC(=O)N(O)c1ccc(Cl)cc1,CI,0
C=CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC=C)cc1,CI,0
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CI,0
O=C(NO)c1ccc(O)c(O)c1,CI,0
COc1cc(CCNC(C)=O)cc(OC)c1OC,CI,0
CC(CN(C)C)C(=O)c1ccccc1,CI,0
O=C(O)CC(=O)Nc1ccccc1S,CI,0
NCc1ccc(O)c(O)c1O,CI,0
Cc1c(O)ccc(N=O)c1O,CI,0
COC(=O)CSSCc1ccccc1,CI,0
CN(C)CCC(=O)C(=Cc1ccc(O)cc1)C(=O)CCN(C)C,CI,0
COc1cccc(OC)c1SSCCN,CI,0
CCCCCCCCCCNCCSSCc1ccc(OC)cc1,CI,0
Cc1ccc(SSCCN)cc1,CI,0
CCCCCCCCCCNCCSSCc1ccccc1,CI,0
CCCCCCCCCCNCCSSc1ccccc1,CI,0
NCCSSc1ccccc1C(=O)O,CI,0
CCSSc1ccccc1C(=O)O,CI,0
NCCSSc1ccccc1[N+](=O)[O-],CI,0
Cc1ccc(S(=O)(=O)SC(C)(C)C)cc1,CI,0
NCCSSc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccccc1SSCCN,CI,0
NC(CSSc1ccccc1C(=O)O)C(=O)O,CI,0
COC(=O)c1ccccc1SSCCN,CI,0
NP(N)(=O)NC(=O)c1ccc(F)cc1,CI,0
NC(CSSCC(NC(=O)c1ccccc1)C(=O)O)C(=O)O,CI,0
CC(=O)NCCSSCc1ccccc1CS(=O)O,CI,0
C=C=C(C)C(c1ccccc1)N(C)C,CI,0
NCCSC(C[N+](=O)[O-])c1ccccc1Cl,CI,0
NC(CCSCc1ccccc1)P(=O)(O)O,CI,0
NC(=O)C(NC=O)c1ccccc1,CI,0
CC(c1ccccc1)C(O)S(=O)(=O)O,CI,0
CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(S)c(C(O)(C(F)(F)F)C(F)(F)F)c1,CI,0
Cc1ccc(N=NN(C)C)cc1NC(=O)NCC(=O)OC(C)(C)C,CI,0
CCOC(=O)C(C)(C)Oc1ccc(N=[N+]=[N-])cc1,CI,0
CCN(CC)C(=Nc1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl,CI,0
Cc1c(O)c(O)c(C)c(CCN)c1O,CI,0
CCN(CC)CCOc1cccc(NC(=O)CN(CC)CC)c1,CI,0
CC(=O)C(C(=O)CCSCCO)C(SCCO)c1ccc(Cl)c(Cl)c1,CI,0
CCOC(=N)CCCSSc1ccc(N=[N+]=[N-])cc1,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)C(Cl)=C(Cl)Cl,CI,0
C=Cc1ccccc1.N=C(N)NC(=N)N,CI,0
NC(=O)C(N)C(F)c1ccccc1,CI,0
CCNC(=O)c1ccccc1S(C)=O,CI,0
CN(C)CC(C)(C)C(=O)C=Cc1ccccc1,CI,0
Cc1cc(C(=O)CSC(=S)SC(C)(C)C)ccc1Cl,CI,0
C=C(CN(C)C)C(=O)c1ccc(C)cc1C,CI,0
C=C(CN(C)C)C(=O)c1cc(C)ccc1C,CI,0
C=C(CN(C)C)C(=O)c1ccccc1OC,CI,0
CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(C)cc1,CI,0
O=C(CSS(=O)(=O)O)c1ccccc1,CI,0
O=C(O)C=CC(=O)Nc1ccccc1,CI,0
CN(C)C(=O)C(NCCO)c1ccccc1,CI,0
COc1cc(O)c(C(C)=O)c(O)c1,CI,0
CCCCCCCCCCCCCCCc1cc(O)ccc1N=O,CI,0
O=Nc1ccccc1C(=O)O,CI,0
COC(=O)CSSCc1ccc([N+](=O)[O-])cc1,CI,0
O=C(O)CC(SSCc1ccccc1)C(=O)O,CI,0
O=Nc1ccccc1N=O,CI,0
O=Nc1ccc(Br)cc1,CI,0
COC(=O)C(=O)C(C#N)c1cccc(O)c1C(=O)OC,CI,0
CCN(CC)C(=O)c1ccc(O)c(OC)c1,CI,0
CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1,CI,0
CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)C,CI,0
Cc1cc(C)c(C)c(C(=O)OCC(C)(C)C)c1C,CI,0
COc1cccc(N)c1N,CI,0
Br.CCN(CC)C(C)(C)C(=O)C=Cc1ccc(C)cc1,CI,0
Br.CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(C=CC(=O)C(C)(C)CN(CC)CC)cc1,CI,0
C=C(CN(C)C)C(=O)c1ccc(OC)cc1.Cl,CI,0
Br.CCN(CC)CCN(C)CC(C)(C)C(=O)C=Cc1ccccc1,CI,0
NC(=O)c1cccc(OCC(O)CO)c1,CI,0
O=C(C=CC(Cl)(Cl)Cl)Nc1ccc(Cl)cc1,CI,0
CCCC(=O)Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC,CI,0
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1N,CI,0
COc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F,CI,0
COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N,CI,0
CN(C)CCN(C)CCC(=O)C=Cc1ccccc1.Cl,CI,0
CC(=O)C(=Cc1ccc(C=C(C(C)=O)C(C)=O)cc1)C(C)=O,CI,0
Fc1ccc(SC(CCl)CCl)cc1,CI,0
Br.CCN(CC)OC(=O)C=Cc1ccccc1,CI,0
Br.CCN(CC)CCOC(=O)C=Cc1ccccc1,CI,0
O=C(O)c1ccc(CI)cc1,CI,0
O=CNC=Cc1ccccc1,CI,0
COc1ccc(OC)c(C=CNC=O)c1,CI,0
O=CNC=Cc1cc(O)ccc1O,CI,0
COc1ccc(OC)c(C=C[N+](=O)[O-])c1,CI,0
CC(C)(CO)[N+](=O)[CH-]c1ccccc1,CI,0
CCSSc1ccccc1C(=O)NC(CC)CO,CI,0
COc1cc(C(=O)CBr)c(OC)cc1C,CI,0
COc1cc(C(O)CCBr)c(OC)cc1C,CI,0
O=CNC=Cc1ccccc1O,CI,0
N#CCc1c(F)c(F)c(F)c(F)c1F,CI,0
Nc1cc(F)ccc1CC(=O)O.[NaH],CI,0
CCCCCCCCCCCCCC(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O,CI,0
ON=Cc1cc(I)cc(I)c1O,CI,0
CC(C)=CCCC(C)=CCc1cc(O)c(Br)cc1O,CI,0
CCCCCCC=CCCCCCCCCCc1cc(O)cc(OC)c1O,CI,0
COc1cc(O)c(C=NO)c(OC)c1,CI,0
CCCCOP(=O)(OCCCC)c1ccccc1,CI,0
COc1ccc(OC)c(CCCC(=O)O)c1,CI,0
Cc1ccc(S(=O)(=O)OC(F)(F)C(F)(F)F)cc1,CI,0
CCOC(=O)CC(C)P(c1ccccc1)C(C)CC(=O)OCC,CI,0
CC(=O)N(c1ccccc1)[Si](C)(C)C,CI,0
COc1ccc(NCCC=C[Si](C)(C)C)cc1,CI,0
C=C(CCCCOCOCCOC)c1ccccc1,CI,0
COc1ccc(C=O)c(NC(=O)C(C)C)c1,CI,0
CCN(CC)[Se]c1ccccc1,CI,0
C#CC(CCCC)OC(=O)NC(C)c1ccccc1,CI,0
CCCCCCC=CCCCCCCCCCc1cccc(OC)c1O,CI,0
CCCCCCC=CCCCCCCCCC(=O)c1cccc(OC)c1OC,CI,0
C=CC=CNC(=O)OCc1ccccc1,CI,0
COC(=O)C(C=CC(=O)OC(C)(C)C)=CSc1ccccc1,CI,0
N#CC(=CSc1ccccc1)C(=O)O,CI,0
COC(=O)C(C#N)=CSc1ccccc1,CI,0
N#CC(C#N)=CSc1ccccc1,CI,0
COC(=O)C(C=O)=CSc1ccccc1,CI,0
CCOC(=O)C(C#N)=CSc1ccccc1,CI,0
CC(C#N)NCc1ccccc1,CI,0
C=CCNC(=Nc1cccc(C(=O)O)c1)S[Au].[NaH],CI,0
C=CCOc1ccc(N)c([N+](=O)[O-])c1,CI,0
NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl,CI,0
COC(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,CI,0
CC(O)C(NC(=O)C(CCCN)NC(=O)C(CC(O)CNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCN)C(=O)NC(CC(O)CNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,CI,0
Cc1cc(C)c(S(=O)(=O)ONC(=O)OC(C)(C)C)c(C)c1,CI,0
CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(N)=O,CI,0
O=C(CCCl)Nc1c(Cl)cccc1Cl,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)Nc1ccccc1,CI,0
Cc1c(Cl)cccc1NC(=O)C(Cl)=C(Cl)C(=O)O,CI,0
O=C(O)C(Cl)=C(Cl)Nc1cccc(C(F)(F)F)c1,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)Nc1ccc(Cl)c(Cl)c1Cl,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
Cc1ccc(NC(=O)C(Cl)=C(Cl)C(=O)O)cc1,CI,0
Cc1cc(Cl)ccc1NC(=O)C(Cl)=C(Cl)C(=O)O,CI,0
Cc1cccc(C)c1NC(=O)C(Cl)=C(Cl)C(=O)O,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)Nc1cccc(Cl)c1,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)Nc1cc(Cl)ccc1Cl,CI,0
COc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(=O)NN)cc1,CI,0
CCC(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=NNC(=O)C(N)=O,CI,0
CC(C)(C)C(CC(=O)CCC(=O)Nc1ccc(Cl)cc1)=NNC(N)=S,CI,0
CCCCN(CCCC)C(=O)C(=O)CC(=O)c1ccc(Br)cc1,CI,0
CCCCC(C(=O)C(=O)Nc1ccccc1CC)C(=O)C(C)C,CI,0
CC(=O)CC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1,CI,0
CC(=O)CC(=O)CCCC(=O)Nc1ccc(Cl)cc1C,CI,0
N#Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1CCl,CI,0
O=C(O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CCCN(CCC)C(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CC(C)OC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CN(C)C(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
NC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CCCNC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CCCCCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O,CI,0
CCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O,CI,0
NC(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CCOC(=O)NC(=N)SCc1ccccc1.Cl,CI,0
COc1ccc(OC)c(C(C)=NNC(N)=S)c1,CI,0
O=C(CO)CC(=O)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
CC(=O)CC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl,CI,0
CC(C)(C)NC(=NO)c1ccccc1,CI,0
CCOC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0
CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O,CI,0
CCNCC(O)c1ccc(N)c([N+](=O)[O-])c1.Cl,CI,0
CC(COc1ccccc1)=NNC(N)=S,CI,0
CC(CCc1ccccc1)=NNC(N)=S,CI,0
CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)O)Oc1ccccc1)OCCCCCCCCCCCCCCCCCC,CI,0
C=CCCCC(C#N)(c1ccccc1)N(C)C,CI,0
CCOC(=S)C=Cc1ccccc1,CI,0
CCOC(F)(F)C=Cc1ccccc1,CI,0
CCOC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,CI,0
COC(=O)CCC(=O)Nc1ccc(Cl)cc1C,CI,0
CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(N)=C(C#N)C(=O)OCC,CI,0
CCC(=O)CC(=O)CCC(=O)Nc1cc(C)ccc1C,CI,0
Cc1ccc(C)c(NC(=O)CCC(=O)CC(=O)C(C)(C)C)c1,CI,0
C=C(C)S(=O)(=O)c1ccccc1,CI,0
C=C(CS(=O)(=O)c1ccccc1)C(=O)OCC,CI,0
C=C(C)CC(OC(=O)C(C)(C)C)c1ccccc1,CI,0
CC#CCC(OC(C)=O)c1ccccc1,CI,0
OCC=Cc1ccc(O)c(O)c1,CI,0
Cc1ccc(C=CCO)cc1,CI,0
OCC=Cc1ccc(Cl)cc1,CI,0
OCC=Cc1cccc(Cl)c1,CI,0
O=C(O)CCc1ccc(O)c(O)c1,CI,0
O=S(O)CCCCSSCc1ccccc1CSSCCCCS(=O)O.[NaH],CI,0
Cl.NCCSSCc1ccccc1CSSCCN,CI,0
Cl.NCCCNCCSSCc1ccccc1CSSCCNCCCN,CI,0
COc1c(Cl)cc(Cl)cc1S(=O)O.[NaH],CI,0
COc1c(Cl)cc(S(=O)O)cc1Cl.[NaH],CI,0
O=S(O)c1cc(Cl)cc(Cl)c1O,CI,0
COS(=O)c1cc(Cl)cc(Cl)c1O,CI,0
O=S(O)c1cc(Cl)c(O)c(Cl)c1,CI,0
COc1c(Cl)cc(S(=O)OC)cc1Cl,CI,0
Cc1ccc(SSCCCCCS(=O)O)cc1.[NaH],CI,0
O=S(O)CCCCCSSc1ccccc1.[NaH],CI,0
O=S(O)CCCCCSSc1ccc(Cl)cc1.[NaH],CI,0
Cc1ccc(SSCCCS(=O)O)cc1.[NaH],CI,0
O=S(O)CCCSSc1ccccc1.[NaH],CI,0
Cc1ccc(SSCCCCS(=O)O)cc1.[NaH],CI,0
COc1cc(OC)c(SSCCCCS(=O)O)c(OC)c1.[NaH],CI,0
CCCCCCCCCCNCCSSCc1ccc(Cl)cc1.Cl,CI,0
O=S(=O)(CC#CCO)c1ccccc1,CI,0
O=S(=O)(C=C=CCO)c1ccccc1,CI,0
O=C(O)C(=CC=Cc1ccccc1)C(=O)O,CI,0
CC(C)OC(=O)c1cc(NC(=O)C(C)(C)C)c(F)cc1Cl,CI,0
CN(C)C(=N)c1ccccc1.Cl,CI,0
CC(C)N(O)C(=N)c1ccccc1.Cl,CI,0
COc1ccc(Br)c(CCCCC(=O)O)c1,CI,0
COc1ccc(OCC(=O)O)c(C(=O)CCC(=O)O)c1,CI,0
COc1ccc(O)c(C(=O)CCC(=O)O)c1,CI,0
C#CCC(O)c1ccccc1C(O)CC#C,CI,0
CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)O,CI,0
O=C(CO[N+](=O)[O-])OCC=Cc1ccccc1,CI,0
CSCCOC(=O)C(=[N+]=[N-])c1ccc([N+](=O)[O-])cc1,CI,0
O=C(CO[N+](=O)[O-])OCC(=O)c1ccccc1,CI,0
C[S+](C)CCOC(=O)C(=[N+]=[N-])c1ccc([N+](=O)[O-])cc1.[I-],CI,0
O=C(O)C(O[N+](=O)[O-])c1ccccc1,CI,0
C=C=C(C(=O)OC)S(=O)c1ccccc1[N+](=O)[O-],CI,0
C=C=C(C(=O)OC)S(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
COc1c(NC(C)=O)cc(C)cc1NC(C)=O,CI,0
N#CCCN(CCC#N)C(=O)c1cccc(C(=O)N(CCC#N)CCC#N)c1,CI,0
OCCN(CCO)c1cccc(N(CCO)CCO)c1,CI,0
CC(=O)Oc1ccc(O)c(O)c1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,CI,0
COC(=O)C(=NNc1ccccc1[N+](=O)[O-])C(=O)OC,CI,0
CCOC(=O)C(Cc1cc(OC)c(CC(C(=O)OCC)C(=O)OCC)cc1OC)C(=O)OCC,CI,0
COc1cc(CC(C(=O)O)C(=O)O)c(OC)cc1CC(C(=O)O)C(=O)O,CI,0
N#CC(C#N)SCc1ccccc1,CI,0
CSC(=S)c1ccc(C(=S)SC)cc1,CI,0
CCc1ccc(C(C)=NNC(N)=S)cc1,CI,0
CCOc1ccc(C(C)=NNC(N)=S)cc1,CI,0
COc1ccc(C(C)=NNC(N)=S)cc1OC,CI,0
CC(=NNC(N)=O)c1ccccc1,CI,0
CC(Cc1ccccc1)=NNC(N)=S,CI,0
CCOC(=O)c1ccc(C(C)=NNC(N)=S)cc1,CI,0
CN(C=O)C=Cc1cc(O)ccc1O,CI,0
CC(=O)NC=Cc1cc(O)ccc1O,CI,0
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccccc1,CI,0
CCCCCCCCCCCC(=O)OCCOCCOCCOCc1ccccc1,CI,0
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCc1ccccc1,CI,0
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccc(OC)cc1,CI,0
CCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccccc1,CI,0
CCCCCCCCCCCCCCCCOC(=O)c1cc(OCCOP(=O)(O)O)cc(C(=O)OCCCCCCCCCCCCCCCC)c1,CI,0
CCCCCCCCCCCCCCCCOC(=O)c1cc(O)cc(C(=O)OCCCCCCCCCCCCCCCC)c1,CI,0
CCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCC)cc1.[Br-],CI,0
CCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1.[Br-],CI,0
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCC)cc1.[Br-],CI,0
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCCCC)cc1.[Br-],CI,0
CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br,CI,0
CC(=Cc1ccccc1)C(O)S(=O)(=O)O.[NaH],CI,0
CC(CCC(=O)O)c1ccc(Br)cc1,CI,0
CC(c1ccc(Br)cc1)C(C(=O)O)C(=O)O,CI,0
COc1cc(C)c(O)c(C(=O)O)c1,CI,0
CC(=O)c1cccc(C)c1C(=O)O,CI,0
Cc1cc(C)c(C(=O)O)c(N)c1O,CI,0
Cc1ccccc1NC(=O)C=NO,CI,0
O=S(=O)(O)C(O)C=Cc1ccccc1.[NaH],CI,0
CCCCCCCCCCCCCC=CC(OC(=O)c1ccccc1)C(CO)N=[N+]=[N-],CI,0
NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl,CI,0
NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl,CI,0
NNC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CCOc1ccccc1NC(=O)CCC(=O)NN,CI,0
CCOC(=O)C(=O)Nc1c(C)cccc1C(C)C,CI,0
CCOC(=O)C(=O)Nc1ccccc1C(C)C,CI,0
CCOC(=O)C(=O)Nc1cc(Cl)ccc1Cl,CI,0
COc1cc(OC)c(C#N)c(OC)c1C,CI,0
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(CCC)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(C(C)C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCCN(C(=O)NCCC)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(CC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCN(C)C(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)N(CCN(C)C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CNC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CCCNC(=O)SCc1ccccc1,CI,0
COc1ccc(C=NNC(=N)N)c(C(=O)O)c1OC.O=[N+]([O-])O,CI,0
Nc1cccc(S(=O)(=O)NCC(=O)O)c1,CI,0
COc1ccc(C=CCO)cc1OC,CI,0
COc1ccc(C=CCOC(C)=O)cc1OC,CI,0
O=C(O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(O)CCCNS(=O)(=O)c1ccccc1,CI,0
COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1,CI,0
CN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1,CI,0
CN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1,CI,0
Cc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1,CI,0
COc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1,CI,0
CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O,CI,0
CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O,CI,0
Cl.NCC(=CC(=O)O)c1ccc(Cl)cc1,CI,0
C=CCC(C)(C(=O)NCCC)C(=O)c1ccccc1O,CI,0
CCCNC(=O)C(C)(Cl)C(=O)c1ccccc1O,CM,1
O=C(O)CC(Cl)C(NC(=O)OCc1ccccc1)C(=O)O,CI,0
O=C(CC(Cl)C(NC(=O)OCc1ccccc1)C(=O)O)NO,CI,0
CNC(C)C(N)c1ccccc1.Cl,CI,0
CNC(C)C(N)c1ccccc1.O=C(O)C(O)C(O)C(=O)O,CI,0
CNC(C)C(NC)c1ccccc1.Cl,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NC(=O)CI)cc1,CI,0
CC(NS(=O)(=O)c1ccccc1)C(=O)O,CI,0
CC(=NNC(N)=S)c1ccc(C(C)=NNC(N)=S)cc1,CI,0
COc1ccc(C(C)=NNC(N)=S)c(OC)c1,CI,0
CC(=NO)c1ccccc1,CI,0
CC(=NNC(=N)N)c1ccccc1,CI,0
O=CC(=O)c1ccccc1,CI,0
CC(Sc1ccccc1)C(CO)(CO)[N+](=O)[O-],CI,0
CCc1cccc(C)c1NC(C)=O,CI,0
CCC(C)(C)NS(=O)(=O)c1ccccc1,CI,0
Cl.Nc1cc([As]=O)ccc1O,CA,1
Nc1cc([As]=O)ccc1O,CI,0
CC(=O)OCC(CCC[Sn](Cl)(Cl)c1ccccc1)OC(C)=O,CI,0
CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(N)CCC(N)=O)C(C)C)C(C)C)C(C)O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)O,CI,0
CCC(N)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)O,CI,0
CC(C)OC(=O)c1cc(NC(=S)OC(C)C)ccc1Cl,CA,1
NS(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
O=C(O)CCSC(=O)Nc1ccccc1,CI,0
O=C(O)CCSC(=S)Nc1ccccc1,CI,0
O=C(O)CCSC(=O)Nc1cccc([N+](=O)[O-])c1,CI,0
O=C(O)CCSC(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
O=C(O)CCSC(=S)Nc1ccc([N+](=O)[O-])cc1,CI,0
O=C(O)CCSC(=O)Nc1ccccc1F,CI,0
Cc1ccc(NC(=O)SCCC(=O)O)cc1NC(=O)SCCC(=O)O,CI,0
Cc1ccc(NC(=S)SCCC(=O)O)cc1,CI,0
O=C(O)CCSC(=O)Nc1cccc(F)c1,CI,0
CCOC(=O)c1ccc(NC(=O)SCCC(=O)O)cc1,CI,0
Cc1ccc(NC(=O)SCCC(=O)O)cc1,CI,0
CC(SC(=S)Nc1cccc(F)c1)C(=O)O,CI,0
COC(=O)CCSC(=O)Nc1ccccc1Cl,CI,0
N.O=C(O)c1ccccc1O,CI,0
CN(C)CCC(=O)c1ccccc1.Cl,CI,0
CCCCCCC=CCCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C.Cl,CI,0
CC(C(=O)O)C(=O)NC(=O)N(Cc1ccccc1)N=O,CI,0
CCCCC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C,CI,0
Cc1cccc(C)c1NC(=O)CCC(=O)NC(N)=S,CI,0
Cc1cccc(C)c1NC(=O)CCC(=O)NC(=N)NC#N,CI,0
CC(CC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)=NNC(=O)NN,CI,0
CCOc1ccccc1NC(=O)CC(C(=O)OC)C(=O)C(=O)OC,CI,0
COC(=O)C(=O)C(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)OC,CI,0
COC(=O)CCC(=O)C(CC(=O)OC)C(=O)CCC(=O)NCCc1ccccc1,CI,0
CCC(CC(=O)CCC(=O)Nc1c(C)cccc1C)=NNC(=O)NN,CI,0
CCC(C)C(N)C(=O)NC(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)CC)C(C)CC,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)O)C(C)C,CI,0
CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)O)C(C)O)C(C)C,CI,0
CCOC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CCOC(=O)C(=O)Nc1c(C)cccc1C(C)(C)C,CI,0
COc1ccc(CC(CC(=O)O)NC(C)=O)cc1,CI,0
N#CCc1ccccc1C(=O)O,CI,0
CCOC(=O)C(Cc1ccccc1)C(=O)OCC,CI,0
[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1,CI,0
C=CCC(C(=O)NC(N)=O)c1ccccc1,CI,0
COc1ccc(NC(C)=O)c(Cl)c1,CI,0
CC(=O)Nc1cc(C)ccc1Cl,CI,0
CC(=O)NC(=O)C(C(C)=O)c1ccccc1,CI,0
CC(=O)NC(=O)CC(=O)c1ccccc1,CI,0
CC(=O)NC(=O)c1ccccc1O,CI,0
COC(=O)NN=C(CCC(=O)Nc1ccc(C)c(C)c1)CC(=O)C(C)(C)C,CI,0
Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(=O)NN)cc1C,CI,0
Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C[N+](C)(C)C)cc1C.[Cl-],CI,0
COc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(N)=O)cc1,CI,0
O=C(CO)CC(=O)C(=O)Nc1ccccc1,CI,0
CCCCN(CCCC)C(=O)C(=O)C(C#N)c1ccc(C)cc1,CI,0
CCCCC(C(=O)C(=O)Nc1ccc(C)cc1C)C(=O)C(C)C,CI,0
Cc1cccc(C)c1NC(=O)C(=O)CC(=O)CO,CI,0
CCCCN(CCCC)C(=O)C(=O)CC(=O)C=Cc1ccccc1,CI,0
CCCCCCCCCCCC(=O)c1c(O)cccc1O,CI,0
CCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O,CI,0
CCCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O,CI,0
CCCCCCCCCC(=O)CC(=O)c1ccc(O)cc1O,CI,0
CC(=O)ON=C(C)c1ccccc1O,CI,0
COc1cc(O)c(C(=O)CC(C)=O)c(OC)c1,CI,0
CCCCC(C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(C)C,CI,0
N#CC(C(=O)C(N)=O)c1ccccc1Cl,CI,0
CC(C)=CC(=O)CC(=NNC(N)=S)C(=O)Nc1ccc(Cl)cc1,CI,0
CC(CC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)CC#N,CI,0
CCC(=NO)C(C)C(=O)CCC(=O)Nc1ccc(Cl)cc1,CI,0
Cc1cccc(C)c1NC(=O)CCC(=O)CC(=O)C(C)C,CI,0
CC(=O)CC(=O)Nc1ccc(OS(N)(=O)=O)cc1,CI,0
CC(=O)CC(=O)Nc1ccccc1[N+](=O)[O-],CI,0
N#CCC(=O)Nc1ccccc1O,CI,0
Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(N)=O)cc1C,CI,0
CN(C)CCC(CCN(C)C)=NOC(=O)c1ccccc1.Cl,CI,0
CCOC(=O)C(O)=C(C(=O)OC)c1ccc(Cl)cc1.[NaH],CI,0
CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)O,CI,0
CC(C)C(O)C(=O)C(Sc1ccccc1)C(C)C,CI,0
CCC(OCc1ccccc1)C(C)=CCC(C)CO,CI,0
COC(=O)N(C)C(C#N)CCc1ccccc1,CI,0
COC(=O)N(CCc1ccccc1)C(C)(C)C#N,CI,0
C[Si](C)(C)C=CCCNC(C#N)c1ccccc1,CI,0
CC(C)[Si]([Se]c1ccccc1)(C(C)C)C(C)C,CI,0
CN(C)P(CCP(CCP(N(C)C)N(C)C)c1ccccc1)N(C)C,CI,0
C=CP(CCP(CCP(C=C)N(CC)CC)c1ccccc1)N(CC)CC,CI,0
CN(C)P(=S)(CCPc1ccccc1)N(C)C,CI,0
CN(C)P(CCPc1ccccc1)N(C)C,CI,0
CCOC(=O)C(C(=O)OCC)P(=S)(S)c1ccccc1.[NaH],CI,0
O=C(O)C(C(=O)O)P(=S)(S)c1ccccc1.[NaH],CI,0
CCOC(=O)CP(=S)(S)c1ccccc1.[NaH],CI,0
O=C(O)CP(=S)(S)c1ccccc1.[NaH],CI,0
CCCCC=C(CCCNCCc1ccccc1)[Si](C)(C)C,CI,0
C[Si](C)(C)C=CCCNCc1ccccc1,CI,0
CCCCN(C=O)CCc1ccccc1,CI,0
COC=CCCCNCc1ccccc1,CI,0
COC=CCCCN(CC#N)Cc1ccccc1,CI,0
CCCCN(CCCC=COC)C(C#N)c1ccccc1,CI,0
C#Cc1cccc(NC(=O)C=CC(=O)O)c1,CI,0
COC(C=Cc1ccccc1)=C[SH](C)(=O)N(C)C,CI,0
C=CCCC(=O)C(Cc1ccccc1OC)C(=O)OC,CI,0
COCS(=O)(=O)c1ccccc1,CI,0
C=CC(C)(O)CN(C=O)Cc1ccccc1,CI,0
C=CC(C)(O)CNc1ccccc1,CI,0
CCOC#CCCOCc1ccccc1,CI,0
COC(=O)CCC(=O)Nc1cc(C)ccc1C,CI,0
CCOC(=O)C(=O)Nc1ccc(Cl)cc1C,CI,0
CCOC(=O)C(=O)Nc1ccccc1OCC,CI,0
CCOC(=O)C(=O)Nc1ccccc1CC,CI,0
COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl,CI,0
CC(C(=O)O)N(N=O)c1ccccc1,CI,0
CCOC(=O)C(=O)Nc1c(C)cccc1CC,CI,0
CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N,CI,0
COC(=O)C(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)OC,CI,0
COC(=O)C(CC=O)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
COC(=O)C(=O)C(CC(=O)Nc1c(C)cccc1C)C(=O)OC,CI,0
C=C[Si](C)(C)COC(=O)C(C#N)=CC=Cc1ccccc1,CI,0
CC(=NNC(N)=O)c1ccc(Cl)cc1,CI,0
COc1ccc(C(C)=NNC(N)=O)cc1,CI,0
NC(=O)NN=Cc1ccc(Cl)cc1,CI,0
COc1ccc(C=NNC(N)=O)cc1,CI,0
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,CI,0
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)O,CI,0
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O,CI,0
CC(N)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O,CI,0
NC(CO)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)O,CI,0
CCOC(=O)C(=O)Nc1ccc(C)cc1C,CI,0
CCOC(=O)C(=O)Nc1cccc(Cl)c1C,CI,0
CCOC(=N)CC(=O)Nc1ccccc1.Cl,CI,0
CCC(OCc1ccccc1)C(C)=CCC(C)C=C(Br)Br,CI,0
ClP(Cl)CCP(CCP(Cl)Cl)c1ccccc1,CI,0
COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1,CI,0
N#CCCC(C#N)(CCC#N)c1ccccc1,CI,0
O=C(O)CCC(CCC(=O)O)(C(=O)O)c1ccccc1,CI,0
CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC,CI,0
CC(C)OP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(C)C,CI,0
CCc1cccc(C)c1NC(=O)CC(=O)NNC(N)=S,CI,0
CC(C)=CC(=O)CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
CCOc1ccc(NC(=O)CCC(=O)NN)cc1,CI,0
COC(=O)C(=NNC(N)=S)C(C#N)c1ccccc1,CI,0
COC(=O)C(=NNC(N)=O)C(C#N)c1ccccc1,CI,0
CC(=O)C(C)=NNC(=O)c1ccccc1O,CI,0
COC(=O)Cc1cc(OC)c(OC)cc1Br,CI,0
CCOC(=O)C(=O)Nc1ccccc1C(F)(F)F,CI,0
CCOC(=O)C(=O)Nc1c(C)cccc1C,CI,0
CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)C,CI,0
CCOC(=O)C(=O)Nc1ccccc1C,CI,0
CC(=O)CC(=O)Nc1ccccc1C(F)(F)F,CI,0
COC(=O)C(=O)C(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OC,CI,0
O=C(O)CCC(NC(=O)c1ccccc1)C(=O)O,CI,0
CCOC(=O)C(=O)Nc1ccc(C)c(C)c1,CI,0
CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)CC,CI,0
CCOC(=O)C(=O)Nc1cccc(C)c1C,CI,0
CCCCCCCCCCCCCCCc1ccc(OCC(O)CO)cc1,CI,0
NC(=S)Nc1cc(Cl)ccc1Cl,CI,0
N#Cc1ccc([N+](=O)[O-])cc1NC(N)=S,CI,0
Cc1cc(OCC(O)CO)ccc1Cl,CI,0
OCC(O)COc1ccc(Br)cc1,CI,0
COc1cc(C(=O)NO)ccc1O,CI,0
CC(=O)C=Cc1cccc(N=S)c1,CI,0
N#Cc1ccccc1C=NO,CI,0
NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl,CI,0
COc1c(NC(=O)CC(C)=O)c([Hg]OC(C)=O)c(OC)c(Cl)c1[Hg]OC(C)=O,CI,0
CC(=O)CC(=O)Nc1c(C)c([Hg]OC(C)=O)c(C)c([Hg]OC(C)=O)c1[Hg]OC(C)=O,CI,0
CC(=O)c1ccc(OCC(O)CO)cc1,CI,0
COc1cc([Hg]OC(C)=O)c(OC)c(NC(=O)CC(C)=O)c1[Hg]OC(C)=O,CI,0
Cc1cccc(Cl)c1NC(N)=S,CI,0
COC(=O)C(C)Oc1ccc(O)cc1,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)NN,CI,0
CCOc1ccccc1NC(=O)CCC(=O)OC,CI,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F,CI,0
CCCCCCC(=O)CC(=O)C(=O)Nc1ccccc1C,CI,0
COc1ccc(NC(=O)C(=NO)C(C)=O)cc1,CI,0
CC(=O)C(=NO)C(=O)NCc1ccccc1,CI,0
CC(=O)C(=NO)C(=O)NCCc1ccccc1,CI,0
OCC(O)COc1ccc(F)cc1,CI,0
CC(C)c1cc(OCC(O)CO)cc(C(C)C)c1,CI,0
OCC(O)COc1c(Cl)ccc(Cl)c1Cl,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)c1ccccc1,CI,0
CC(=O)C(=NO)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
CCOC(=O)C(=Cc1cccc(F)c1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc(Cl)cc1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1cccc(F)c1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1cccc(Cl)c1)C(C)=O,CI,0
CCOC(=O)C(=Cc1cccc(C#N)c1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1cccc(F)c1,CI,0
CCOC(=O)C(C#N)=Cc1ccc(C#N)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(F)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(Cl)cc1,CI,0
CN(C)c1ccc(C=CC(=O)C(C)(C)C)cc1,CI,0
COc1ccc(C=CC(=O)C(C)(C)C)cc1,CI,0
COc1ccccc1C=CC(=O)C(C)(C)C,CI,0
COc1cccc(C=CC(=O)C(C)(C)C)c1,CI,0
CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1,CI,0
CC(C)(C)C(=O)C=Cc1ccc(Br)cc1,CI,0
CC(C)(C)C(=O)C=Cc1cccc(F)c1,CI,0
CC(C)(C)C(=O)C=Cc1ccccc1F,CI,0
CC(C)(C)C(=O)C=Cc1ccccc1Cl,CI,0
CC(C)(C)C(=O)C=Cc1cccc(C#N)c1,CI,0
CC(C)(C)C(=O)C=Cc1cccc([N+](=O)[O-])c1,CI,0
CC(C)(C)C(=O)C=Cc1ccc(C#N)cc1,CI,0
CC(C)(C)C(=O)C=Cc1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)C=Cc1ccc(N(C)C)cc1,CI,0
CCOC(=O)C=Cc1ccc(OC)cc1,CI,0
CCOC(=O)C=Cc1ccc(F)cc1,CI,0
CCOC(=O)C=Cc1ccccc1OC,CI,0
CCOC(=O)C=Cc1cccc(OC)c1,CI,0
CCOC(=O)C=Cc1ccc(Br)cc1,CI,0
CCOC(=O)C=Cc1cccc(F)c1,CI,0
CCOC(=O)C=Cc1cccc(Cl)c1,CI,0
CCOC(=O)C=Cc1ccccc1Cl,CI,0
CCOC(=O)C=Cc1cccc(C#N)c1,CI,0
CCOC(=O)C=Cc1ccccc1Br,CI,0
CCOC(=O)C=Cc1ccc(C#N)cc1,CI,0
CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C=Cc1ccc(C)cc1,CI,0
OCC(O)COc1c(Cl)cc(Cl)cc1Cl,CI,0
CC(=O)Nc1ccc(OCC(O)CO)cc1,CI,0
O=C(O)C=CC(=O)c1ccc(Cl)cc1,CI,0
CCCCCCCCCCCC(=O)OC(COC(N)=O)COc1ccc(Cl)cc1,CI,0
O=C(O)c1cc(Cl)cc(NC(=O)C(Cl)Cl)c1Cl,CI,0
CCCCNC(=O)OCC(COc1ccccc1OC)OC(=O)NCCCC,CI,0
COc1ccc(OC)c(C(=O)C=CC(=O)O)c1,CI,0
CCc1ccccc1NC(=O)C(=NO)C(C)=O,CI,0
CC(=O)c1ccc(NC(=S)NN)cc1,CI,0
CC(=O)c1ccc(NC(=S)NN)cc1.Cl,CI,0
COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OC,CI,0
N#CC=Cc1ccc(Cl)cc1,CI,0
N#CC=Cc1cccc(F)c1,CI,0
N#CC=Cc1cccc(Cl)c1,CI,0
N#CC=Cc1cccc(Br)c1,CI,0
N#CC=Cc1cccc(C#N)c1,CI,0
N#CC=Cc1ccc(C#N)cc1,CI,0
CN(C)c1ccc(C=CC#N)cc1,CI,0
N#CC=Cc1ccc(F)cc1,CI,0
COc1ccccc1C=CC#N,CI,0
COc1cccc(C=CC#N)c1,CI,0
COC(=O)C(=O)C(C(C)=O)C(=O)NCc1ccccc1,CI,0
O=[N+]([O-])CCc1cccc([N+](=O)[O-])c1,CI,0
Cc1cc(C)cc(NC(N)=S)c1,CI,0
CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(C)cc1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc(C)cc1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc(Cl)cc1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc(F)cc1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
Cc1ccc(S(=O)(=O)NNS(C)(=O)=O)cc1,CI,0
CS(=O)(=O)NNS(=O)(=O)c1ccc(Cl)cc1,CI,0
CS(=O)(=O)NNS(=O)(=O)c1ccc(F)cc1,CI,0
CS(=O)(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
CS(=O)(=O)NNS(=O)(=O)c1ccccc1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc(OC)cc1,CI,0
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccc(F)cc1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccccc1OC)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1cccc(OC)c1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1cccc(OC)c1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc(Br)cc1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1cccc(Cl)c1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1cccc(Cl)c1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccccc1F)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1cccc(Br)c1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1cccc(Br)c1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccccc1Cl)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1cccc(C#N)c1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1cccc(C#N)c1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc(C#N)cc1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC,CI,0
CC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O,CI,0
COc1ccc(C=C(C(C)=O)C(C)=O)cc1,CI,0
CC(=O)C(=Cc1cccc(C)c1)C(C)=O,CI,0
CC(=O)C(=Cc1ccc(F)cc1)C(C)=O,CI,0
COc1cccc(C=C(C(C)=O)C(C)=O)c1,CI,0
CC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O,CI,0
CC(=O)C(=Cc1ccc(Br)cc1)C(C)=O,CI,0
CC(=O)C(=Cc1cccc(F)c1)C(C)=O,CI,0
CC(=O)C(=Cc1cccc(Cl)c1)C(C)=O,CI,0
CC(=O)C(=Cc1cccc(Br)c1)C(C)=O,CI,0
CC(=O)C(=Cc1cccc(C#N)c1)C(C)=O,CI,0
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O,CI,0
CC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O,CI,0
CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O,CI,0
COc1ccc(C=NO)cc1OC,CI,0
O=C(O)C(=O)C=Cc1ccc(Cl)cc1,CI,0
ON=Cc1ccc(O)c(O)c1,CI,0
COC(=O)C(=O)C(C(C)=O)C(=O)NCc1ccc(OC)c(OC)c1,CI,0
COc1c(Cl)c([Hg]OC(C)=O)c(NCC(C)=O)c(OC)c1[Hg]OC(C)=O,CI,0
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(N(C)C)cc1,CI,0
CCOC(=O)C(=Cc1ccc(OC)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(OC)cc1,CI,0
CCOC(=O)C(=Cc1ccc(C)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(C)cc1,CI,0
CCOC(=O)C(=Cc1cccc(C)c1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1cccc(C)c1,CI,0
CCOC(=O)C(=Cc1ccc(F)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(F)cc1,CI,0
CCOC(=O)C(C#N)=Cc1ccccc1OC,CI,0
CCOC(=O)C(=Cc1cccc(OC)c1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1cccc(OC)c1,CI,0
CCOC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(Cl)cc1,CI,0
CCOC(=O)C(=Cc1ccc(Br)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(Br)cc1,CI,0
CCOC(=O)C(=Cc1cccc(F)c1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1cccc(Cl)c1,CI,0
CCOC(=O)C(C#N)=Cc1ccccc1F,CI,0
CCOC(=O)C(=Cc1cccc(Br)c1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1cccc(Br)c1,CI,0
CCOC(=O)C(C#N)=Cc1ccccc1Cl,CI,0
CCOC(=O)C(C#N)=Cc1ccccc1Br,CI,0
CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1,CI,0
CCOC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O,CI,0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)C(C#N)=Cc1ccccc1[N+](=O)[O-],CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(N(C)C)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(C)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(OC)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(Br)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(F)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Cl)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Br)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccccc1Cl,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(C#N)c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc([N+](=O)[O-])c1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(C#N)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C=C(C#N)C#N)cc1,CI,0
N#CC(C#N)=Cc1ccc(F)cc1,CI,0
COc1ccccc1C=C(C#N)C#N,CI,0
COc1cccc(C=C(C#N)C#N)c1,CI,0
N#CC(C#N)=Cc1ccc(Cl)cc1,CI,0
N#CC(C#N)=Cc1ccc(Br)cc1,CI,0
N#CC(C#N)=Cc1cccc(F)c1,CI,0
N#CC(C#N)=Cc1cccc(Cl)c1,CI,0
N#CC(C#N)=Cc1ccccc1F,CI,0
N#CC(C#N)=Cc1cccc(Br)c1,CI,0
N#CC(C#N)=Cc1ccccc1Cl,CI,0
N#CC(C#N)=Cc1cccc(C#N)c1,CI,0
N#CC(C#N)=Cc1ccccc1Br,CI,0
N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1,CI,0
N#CC(C#N)=Cc1ccc(C#N)cc1,CI,0
N#CC(C#N)=Cc1ccccc1[N+](=O)[O-],CI,0
COC(=O)C=CC(=O)C=CCOC(=O)c1ccccc1,CI,0
COC(=O)C=CC(=O)CC(O)COC(=O)c1ccccc1,CI,0
CCN(CC)CC(=N)N(CC)c1ccccc1,CI,0
CCN(C(C)=N)c1ccccc1,CI,0
Cc1cc(N(CCC#N)S(C)(=O)=O)ccc1C=O,CI,0
CS(=O)(=O)N(CCC#N)c1ccc(C=O)cc1,CI,0
N#CC(=Cc1cc(O)c(O)c(O)c1)C(N)=O,CI,0
CN(C)c1ccc(C=C(C#N)C(=O)O)cc1,CI,0
COc1cccc(C=C(C#N)C(=O)O)c1,CI,0
COc1ccccc1C=C(C#N)C(=O)O,CI,0
N#CC(=Cc1ccc(F)cc1)C(=O)O,CI,0
N#CC(=Cc1ccccc1F)C(=O)O,CI,0
N#CC(=Cc1ccc(C#N)cc1)C(=O)O,CI,0
N#CC(=Cc1cccc(C#N)c1)C(=O)O,CI,0
N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)O,CI,0
CN(C)c1ccc(C=CC(=O)O)cc1,CI,0
COc1ccccc1C=CC(=O)O,CI,0
O=C(O)C=Cc1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C(C)=C(C#N)C#N)cc1,CI,0
CC(=C(C#N)C#N)c1ccc(F)cc1,CI,0
O=C(O)C=Cc1ccccc1[N+](=O)[O-],CI,0
C=CCCC(C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1,CI,0
CN(C)c1ccc(C=C(C(=O)O)C(=O)O)cc1,CI,0
COc1ccc(C=C(C(=O)O)C(=O)O)cc1,CI,0
Cc1ccc(C=C(C(=O)O)C(=O)O)cc1,CI,0
O=C(O)C(=Cc1ccc(Br)cc1)C(=O)O,CI,0
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O,CI,0
CCOC(=O)C(F)=Cc1ccc(OC)cc1,CI,0
CCOC(=O)C(F)=Cc1ccc(C)cc1,CI,0
CCOC(=O)C(F)=Cc1cccc(C)c1,CI,0
CCOC(=O)C(F)=Cc1ccc(F)cc1,CI,0
CCOC(=O)C(F)=Cc1cccc(F)c1,CI,0
CCOC(=O)C(F)=Cc1ccc(C#N)cc1,CI,0
CCOC(=O)C(F)=Cc1cccc(C#N)c1,CI,0
CCOC(=O)C(F)=Cc1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)C(F)=Cc1cccc([N+](=O)[O-])c1,CI,0
CC(=Cc1ccc(N(C)C)cc1)C(=O)O,CI,0
CC(=Cc1ccc(F)cc1)C(=O)O,CI,0
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O,CI,0
CC(C=O)=Cc1ccc(N(C)C)cc1,CI,0
COc1ccc(C=C(C)C=O)cc1,CI,0
CC(C=O)=Cc1ccc(F)cc1,CI,0
CC(C=O)=Cc1cccc(F)c1,CI,0
CC(C=O)=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC(C=C(C#N)C#N)=Cc1ccc(N(C)C)cc1,CI,0
COc1ccc(C=C(C)C=C(C#N)C#N)cc1,CI,0
CC(C=C(C#N)C#N)=Cc1ccc(C)cc1,CI,0
CC(C=C(C#N)C#N)=Cc1ccccc1,CI,0
CC(C=C(C#N)C#N)=Cc1ccc(F)cc1,CI,0
CC(C=C(C#N)C#N)=Cc1cccc(F)c1,CI,0
CC(C=C(C#N)C#N)=Cc1ccc([N+](=O)[O-])cc1,CI,0
CCCCCCC=CCCCCCCCc1cccc(O)c1C(=O)O,CI,0
C=CCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O,CI,0
Cl.NCCSC=CC(=O)OCc1ccc(Br)cc1,CI,0
CCOC(=S)Sc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccc(NCCS(=O)(=O)O)c([N+](=O)[O-])c1.[NaH],CI,0
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CN(C)c1ccc(C=CC(=O)C(C)(C)C)cc1Br,CI,0
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COc1cc(C=CC(=O)C(C)(C)C)cc(OC)c1OC,CI,0
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CC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)O,CI,0
CC(=O)NC(CCCN)C(=O)NCc1ccccc1,CI,0
CCCNCCCC(NC(C)=O)C(=O)NCc1ccccc1,CI,0
CC(=O)NC(CCCCN)C(=O)NCc1ccccc1,CI,0
CCCNCCCCC(NC(C)=O)C(=O)NCc1ccccc1,CI,0
CNC(=O)NCCCC(NC(C)=O)C(=O)NCc1ccccc1,CI,0
CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NC,CI,0
CC(=O)NC(CCCNC(=O)N(C)N=O)C(=O)NCc1ccccc1,CI,0
CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O,CI,0
CNC(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1,CI,0
CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NC,CI,0
CC(=O)NC(CCCCNC(=O)N(C)N=O)C(=O)NCc1ccccc1,CI,0
CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O,CI,0
CC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O,CI,0
NNC(=O)CC(=O)Nc1ccccc1F,CI,0
N#CCCN(CCC#N)c1ccc(C(=O)NN)cc1,CI,0
CCOC(=O)C(=Cc1ccccc1)C(=O)O,CI,0
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CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)N(CC)CC,CI,0
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CCOC(=O)C(=Cc1cccc(OC)c1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1ccc(C#N)cc1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1cccc(C#N)c1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1ccc(Cl)cc1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1cccc(Cl)c1)N(CC)CC,CI,0
CCOC(=O)C(=Cc1ccc(C(F)(F)F)cc1)N(CC)CC,CI,0
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C=CCNC(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1,CI,0
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CC(=O)NC(CCCNC(=O)NCCCl)C(=O)NCc1ccccc1,CI,0
CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl,CI,0
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CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O,CI,0
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CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl,CI,0
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CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O,CI,0
CC(C)OC(=S)Nc1ccc(Cl)c(COC(C)(C)C)c1,CA,1
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COCCOCOC(CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1,CI,0
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CC(C)OC(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1,CA,1
CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C.Cl[Sn](Cl)(Cl)c1ccccc1,CI,0
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CC[Ge](CC)(CC)OC(=O)C(O[Ge](CC)(CC)CC)c1ccccc1,CI,0
CCCC[Ge](CCCC)(CCCC)OC(=O)C(O)c1ccccc1,CI,0
COC(=O)C(O[Ge](C)(C)C)c1ccccc1,CI,0
CC(=O)OC(C(=O)O[Ge](C)(C)C)c1ccccc1,CI,0
CC[Ge](CC)(CC)OC(=O)C(OC(C)=O)c1ccccc1,CI,0
CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1,CI,0
CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1,CI,0
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CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1,CI,0
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CC(C)ON=Cc1cc(NC(=S)OC(C)C)ccc1Cl,CA,1
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CCCCC#COS(=O)(=O)c1ccc(C)cc1,CI,0
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CCOC(OCC)C(CC)[Se]c1ccccc1,CI,0
CCOC(OCC)C(CC)[Se]c1ccccc1[N+](=O)[O-],CI,0
NC(=O)c1cc(N(CCO)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CCCCN(CCCC)C(=Nc1ccccc1)N(CCCC)CCCC,CI,0
CCCCC#C[I+]c1ccccc1.O=S(O)(=[OH+])C(F)(F)F,CI,0
C[Si](C)(C)C#C[I+]c1ccccc1.O=S(O)(=[OH+])C(F)(F)F,CI,0
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NNC(Cc1ccccc1)=NNO,CI,0
CC(=NNC(=O)C[N+](C)(C)C)C(CN(C)C)C(=O)Nc1ccccc1.[Cl-],CI,0
CC(=NNC(N)=S)C(CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C,CI,0
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CCCCCCCC(=O)OCC(COC(=O)C(C)(C)C)OC(=O)Cc1ccccc1,CI,0
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CCOC(=O)C(N=Nc1ccc(S(N)(=O)=O)cc1)C(C)=O,CI,0
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CCN(CC)CCN(C(=O)C(C)(C)C)c1ccccc1N,CI,0
CCC[Pb](CCC)(CCC)NS(=O)(=O)c1ccc(C)cc1,CI,0
COc1cccc(C=C(C#N)C#N)c1OC,CI,0
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CCN(CC)c1ccc(NC(=S)NN(C)C)cc1,CI,0
CSc1ccc(NC(=S)NN(C)C)cc1,CI,0
CCN(CC)c1ccc(NC(=S)NN)cc1,CI,0
OC(CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl,CI,0
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COc1cc(CNC(=O)CCCCCCCCC=CBr)ccc1O,CI,0
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CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
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CC(=O)C=Cc1cc([N+](=O)[O-])ccc1O,CI,0
CC(C)(C)[Si](C)(C)OCC(NC(=O)OCc1ccccc1)C(=O)O,CI,0
CC(C)(C)[Si](C)(C)OCC(CO)NC(=O)OCc1ccccc1,CI,0
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CCOc1ccc(NC(=S)NC=C(C#N)C#N)cc1,CI,0
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COc1cccc(CCCCCCCC(=O)O)c1,CI,0
COc1ccc(Cl)c(CCCCCCCC(=O)O)c1,CI,0
COc1c(Cl)cc(Cl)c(CCCCCCCC(=O)O)c1Cl,CI,0
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COc1ccc(Br)c(CCCCCCCC(=O)O)c1,CI,0
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CCOC(=O)NN(C(=O)OCC)C(C(=O)c1ccccc1)N(NC(=O)OCC)C(=O)OCC,CI,0
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CNNC(=NS(=O)(=O)c1cc(C#N)c(NNC)cc1S)NNC,CI,0
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CC(C)(NO)C(=NO)c1ccccc1,CI,0
COC(=O)c1c(C)cc(C)cc1OC,CI,0
CC(=Cc1ccccc1)C=C(C#N)C(N)=O,CI,0
CCCCCCCCCCCCCCCCNC(=O)C(O)=CC(=O)c1ccc(C)cc1,CI,0
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C#CC(O)CS(=O)(=O)c1ccccc1,CI,0
C[Si](C)(C)C#CC(O)CS(=O)c1ccccc1,CI,0
C=CCSCCCC#Cc1ccccc1C(=O)OC,CI,0
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CN(CC#N)C(=O)Cc1ccc([N+](=O)[O-])cc1,CI,0
COC(=O)c1ccccc1C#CCCCOS(C)(=O)=O,CI,0
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CCN(CC)CCNc1ccc(Cl)cc1N,CI,0
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COc1ccc(C(O)CC(O)(C(F)(F)F)C(F)(F)F)cc1,CI,0
CC[Pb](CC)(CC)OC(=O)COc1ccc(Cl)cc1Cl,CI,0
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CS(=O)(=O)C(=Cc1ccccc1Cl)S(C)(=O)=O,CI,0
CCCCCC(C=NNc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F,CI,0
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CC(=O)CNC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CC(=O)N(C(=O)CC(=O)NN)c1ccc(Cl)cc1,CI,0
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CCN(CC)C(SCc1ccccc1)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-],CI,0
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O=[N+]([O-])C(=C(Cl)Sc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(Cl)=C(Sc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
CCN(CC)CCNC(=O)c1ccc(I)cc1.Cl,CI,0
Br.CCN(CC)CCN(C)CCc1ccc(Br)cc1,CI,0
CCNCCNC(=O)c1ccc(I)cc1.Cl,CI,0
CCNCCNC(=O)c1ccc(Br)cc1.Cl,CI,0
CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1.Cl,CI,0
CC(C)C(C=Cc1ccccc1)=NNC(=S)NN,CI,0
CC(C)C(C=Cc1ccc(Cl)cc1)=NNC(=S)NN,CI,0
CCC[CH-][Ge]([CH-]CCC)([CH-]CCC)[OH+]C(=O)CNC(=O)c1ccccc1,CI,0
C[CH-][Ge]([CH-]C)([CH-]C)[OH+]C(=O)C(OC(=O)C(F)(F)F)c1ccccc1,CI,0
CC(=O)N(C)c1ccc(N=CN(C)C)cc1,CI,0
COc1ccc(N=CN(C)C)c(C)c1,CI,0
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CCOP(=O)(c1ccccc1)C(C[Sn](C)(C)Cl)P(=O)(OC(C)C)OC(C)C,CI,0
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COC(OC)(c1ccccc1)C(I)I,CI,0
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CC(NS(C)(=O)=O)c1ccccc1,CI,0
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CCOC(=O)CC(c1ccccc1)C(C)(C(=O)OCC)C(=O)OCC,CI,0
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CC(=O)OCc1cccc(O)c1C(=O)CCC=C(C)C,CI,0
CCOC(=O)C(CC(C)=Cc1ccccc1)C(=O)OCC,CI,0
COC(=O)C(CO)NC(=O)CCC(C)=Cc1ccccc1,CI,0
Cl.Nc1cc(N)c(N)cc1N,CI,0
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COC(C(=O)NN)c1ccccc1.Cl,CI,0
CC(Oc1ccccc1)C(=O)NNC(=O)OC(C)(C)C,CI,0
CC(=O)NC(Cc1ccccc1)NC(=O)O,CI,0
CC(Oc1ccccc1)C(=O)NN,CI,0
COC(=O)NC(Cc1ccccc1)NC(C)=O,CI,0
COC(Cc1ccccc1)NC(C)=O,CI,0
CCCN(CCC)C(=S)NN=C(C)c1ccccc1O,CI,0
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CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C,CI,0
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C,CI,0
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CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC,CI,0
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CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)OCC,CI,0
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CC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
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COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,CI,0
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NN.Cl,CI,0
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CC(OC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1,CI,0
CC(=O)C=C(C=NO)c1ccccc1,CI,0
CC(CC(O)(C=NO)c1ccccc1)=NO,CI,0
NC(Cc1ccc(B(O)O)cc1)C(=O)NC(CO)CO,CI,0
Cl.O=[N+]([O-])c1ccc(C[N+]([O-])(CCCl)CCCl)cc1,CI,0
O=[N+]([O-])c1ccc(CN(CCCl)OCCCl)cc1,CI,0
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CCOP(=O)(OCC)C(NC(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1,CI,0
CC(C)N(C(F)=NC(=O)Nc1ccccc1C(F)(F)F)C(C)C,CI,0
[N-]=[N+]=NS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
N#CC(N)=C(C#N)N=CNCc1ccccc1,CI,0
COc1ccc(CNC=NC(C#N)=C(N)C#N)cc1OC,CI,0
N#CC(N)=C(C#N)N=CNc1ccccc1N,CI,0
N#CC(N)=C(C#N)N=CNc1ccc(N)cc1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O,CI,0
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=O,CI,0
COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(N)=O,CI,0
COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(=O)OC,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCOCc1ccccc1)C(N)=O,CI,0
COC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C,CI,0
COC(=O)CCc1ccc(CCC(=O)OC)cc1,CI,0
O=C(O)C=Cc1ccc(OS(=O)(=O)O)cc1.[KH],CI,0
COc1cc(C=CC(=O)O)ccc1OS(=O)(=O)O.[KH],CI,0
COc1cc(C(=O)O)ccc1OS(=O)(=O)O.[KH],CI,0
COC(=O)C(C#N)=C(NCCN)Nc1ccccc1,CI,0
C=CC(C)(C=Cc1ccc(O)cc1)CCC=C(C)C,CI,0
Br.N=C(N)SCc1ccc(N=C=S)cc1,CI,0
Br.N=C(NN)SCc1ccc(N=C=S)cc1,CI,0
CCOC=C(C(=O)OC)S(=O)(=O)c1ccc(C)cc1,CI,0
COCC(N=Cc1ccc([N+](=O)[O-])cc1)C(C)C,CI,0
COCC(N=Cc1ccc(OC)cc1)C(C)C,CI,0
COC(NC(=O)Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F,CI,0
COC(NC(=O)Nc1ccccc1C)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(C(=O)OCC)C(NC(=O)Nc1cc(C(F)(F)F)ccc1OC)(C(F)(F)F)C(F)(F)F,CI,0
CC(C)C(Cl)=NOC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(C(=O)OCC)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)c1ccc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)cc1,CI,0
CCOC(=O)NC(Nc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(C(=O)O)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(F)(F)F,CI,0
CCC(=O)NC(NNS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1cc(Cl)ccc1OC)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(NCC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F,CI,0
CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCCCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F,CI,0
COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F,CI,0
COC(=O)NC(Nc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F,CI,0
CC(C)CCOC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F,CI,0
CCC(=O)NC(Nc1cccc(F)c1C)(C(F)(F)F)C(F)(F)F,CI,0
CCCCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,CI,0
CC(Cl)=NOC(=O)Nc1ccc(C)cc1,CI,0
CCC(Cl)=NOC(=O)Nc1ccc(F)c(Cl)c1,CI,0
CCCC(Cl)=NOC(=O)Nc1ccc(Br)cc1,CI,0
CCOC(=O)c1ccc(NC(=O)ON=C(Cl)C(C)C)cc1,CI,0
CC(Cl)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)c1ccc(NC(=O)ON=C(Cl)CC)cc1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1,CI,0
COc1ccccc1NC(=O)ON=C(Cl)C(C)C,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)ON=C(Cl)CCl,CI,0
CCOC(=O)c1ccc(NC(=O)ON=C(Cl)CCl)cc1,CI,0
CCCC(Cl)=NOC(=O)Nc1cccc(C(F)(F)F)c1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1cccc(Cl)c1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(S(N)(=O)=O)cc1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1cccc(F)c1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccccc1F,CI,0
CC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1F,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(OC(F)(F)F)cc1,CI,0
CCC(Cl)=NOC(=O)Nc1ccc(C#N)cc1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(C#N)cc1,CI,0
CCCC(Cl)=NOC(=O)Nc1cc(C(F)(F)F)ccc1OC,CI,0
CCCCOP(=O)(OCCCC)C(NS(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F,CI,0
CCOC(=O)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C,CI,0
CCOC(=O)C(NC(=O)NCc1ccc(F)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F,CI,0
O=C(Nc1ccc(C(F)(F)F)cc1)NC(F)(F)F,CI,0
CCOC(=O)C(NC(=O)Nc1ccc(C)cc1)(OCC)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)Nc1ccc(Cl)cc1)(OC)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)Nc1ccccc1F)(OC)C(F)(F)F,CI,0
CCOC(=O)C(O)(NC(=O)Nc1ccc(F)cc1)C(F)(F)F,CI,0
NS(=O)(=O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1,CI,0
O=C(O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccccc1F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F,CI,0
CCOC(=O)NC(OCc1ccccc1)(C(=O)OC)C(F)(F)F,CI,0
CCC(=O)NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F,CI,0
CCC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F,CI,0
NC(Cc1ccccc1CP(=O)(O)O)C(=O)O,CI,0
NC(Cc1ccc(CP(=O)(O)O)cc1)C(=O)O,CI,0
CC(OC(C)(C)C)C(NC(=O)C(N)CCCCNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O,CI,0
CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O,CI,0
COC(=O)C(C)(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1,CI,0
NC(CCC(=O)NC(Cc1ccccc1)C(=O)NCP(=O)(O)O)C(=O)O,CI,0
Cc1cc(N)ccc1C=O,CI,0
COC(=O)c1cc(CN(C)C)c(O)c(CN(C)C)c1.Cl,CI,0
CC(C)(C)Cc1cc(O)ccc1O,CM,1
COC(=O)C=CCCC#Cc1ccccc1C#CCCC=CC(=O)OC,CI,0
CCNC(=S)NN=Cc1cc(OC)ccc1O,CI,0
CCNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O,CI,0
CCN(CC)C(=S)NN=Cc1cc(OC)ccc1O,CI,0
CCN(CC)C(=S)NN=Cc1cc([N+](=O)[O-])ccc1O,CI,0
CNC(=NN)NS(=O)(=O)c1cc(C)c(Cl)cc1S,CI,0
CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.Cl,CI,0
NC(=O)c1cccc(N=O)c1,CI,0
Cc1ccc(S(=O)(=O)NC(=N)N(C)N=O)cc1,CI,0
O=C(O)c1cc(O)c(O)c(O)c1,CI,0
COc1cc(C=CC(=O)O)ccc1O,CI,0
O=C(O)C=Cc1ccc(O)cc1,CI,0
COc1cc(C(=O)O)ccc1O,CI,0
CCOC(=O)CCC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC,CI,0
COC(=O)Cc1cc(O)c(CC=C(C)CCC=C(C)C(O)C(=O)C=C(C)C)cc1O,CM,1
CN(C)Cc1cc(C=O)cc(CN(C)C)c1O,CI,0
N#CC(C#N)=Cc1cc(O)c(O)c(O)c1,CI,0
Nc1ccccc1.O=C(O)C(C(F)(F)F)C(F)(F)F,CI,0
NNC(=O)CC(=O)Nc1ccccc1Cl,CI,0
NNC(=O)CC(=O)Nc1cccc(Cl)c1,CI,0
NNC(=O)CC(=O)Nc1ccc(Cl)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)NN,CI,0
COc1cccc(NC(=O)CC(=O)NN)c1,CI,0
COc1ccc(NC(=O)CC(=O)NN)cc1,CI,0
NNC(=O)CC(=O)Nc1ccc(C(=O)O)cc1,CI,0
COC(N)=C(C#N)N=Cc1ccccc1,CI,0
NC(=O)SCC(=O)NNc1ccccc1,CI,0
O=Nc1ccc(O)c(Cl)c1,CI,0
Cc1cc(N=O)cc(Cl)c1O,CI,0
COc1cccc([N+](=O)[O-])c1N=O,CI,0
Cc1ccccc1N=O,CI,0
Cc1cc(O)ccc1N=O,CI,0
CNc1ccc(N=O)cc1,CI,0
Cc1cc(N=O)cc(C)c1O,CI,0
CCN(CC)c1ccc(N=O)c(O)c1,CI,0
Cc1cc(N(CCCl)CCCl)ccc1N=O,CI,0
CC(C)(C)c1cc(N=O)cc(C(C)(C)C)c1O,CI,0
CC(C)(C)c1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1,CI,0
CSSc1ccccc1,CI,0
CSSCc1ccccc1,CI,0
Cc1cc(N=O)ccc1O,CI,0
COc1cc(CNNC(N)=S)cc(OC)c1OC,CI,0
CCN(CC)C(Sc1ccccc1)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-],CI,0
O=[N+]([O-])C(Cl)=CC(=C(Cl)SCc1ccccc1)[N+](=O)[O-],CI,0
O=[N+]([O-])C(=C(Cl)SCc1ccccc1)C(Cl)=C(Cl)Br,CI,0
O=[N+]([O-])C(=C(Br)SCc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)cc1,CI,0
CS(=O)(=O)CC(Cc1ccccc1)C(=O)O,CI,0
CC[P+](c1ccccc1)(N(C)C)N(C)C.[I-],CI,0
Cc1c(CN=[N+]=[N-])c(C)c(CN=[N+]=[N-])c(C)c1CN=[N+]=[N-],CI,0
Cc1c(CN)c(C)c(CN)c(C)c1CN.Cl,CI,0
CCOC(=O)NNC(=N)Cc1ccccc1,CI,0
CCOC(=O)NNC(=N)c1cccc(Br)c1,CI,0
CCOC(=O)NNC(=N)c1cccc([N+](=O)[O-])c1,CI,0
O=C(O)c1cc(OS(=O)(=O)O)c(OS(=O)(=O)O)c(OS(=O)(=O)O)c1.[KH],CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OCc1ccccc1)C(N)=O,CI,0
CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C,CI,0
CCOC(=O)C(O)(C(=O)OCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CI,0
CC(C)(C)c1cc(C(O)(C(=O)O)C(=O)O)cc(C(C)(C)C)c1O,CI,0
CC(C)(C)c1cc(C(CO)OCCOCCO)cc(C(C)(C)C)c1O,CI,0
CCC(C)C(NC(=O)c1ccccc1S)C(=O)O,CA,1
COC(CNC(=O)C(C)NC(=O)C(C)NC(=O)c1ccccc1)OC,CI,0
COC(CN(C)C(=O)C(C)NC(=O)c1ccccc1)OC,CI,0
COC(CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)OC,CI,0
COC(CNC(=O)C(C)NC(=O)C=Cc1ccccc1)OC,CI,0
COC(CNC(=O)C(C)NC(=O)CCc1ccccc1)OC,CI,0
CC(NC(=O)C(C)C(=O)Nc1ccc(C(F)(F)F)cc1)C(N)=O,CI,0
CC(NC(=O)C(C)C(=O)NCc1ccc(C(F)(F)F)cc1)C(N)=O,CI,0
CC(=O)Nc1cccc(C(CC(=O)O)CC(=O)O)c1,CI,0
COc1ccc(C(CC(=O)O)CC(=O)O)cc1[N+](=O)[O-],CI,0
CCOC(=O)C(C(C)=O)C(c1ccc(N(C)C)cc1)C(C(C)=O)C(=O)OCC,CI,0
Nc1cccc(C(CC(=O)O)CC(=O)O)c1,CI,0
CCOC(=S)SCC(=NOC(C)(C)OC)c1ccccc1,CI,0
NNC(N)Nc1ccccc1.O=[N+]([O-])[O-],CI,0
O=Cc1cc(O)ccc1Br,CI,0
CCCC[Si](CCCC)(CCCC)OC(C=CC(=O)OCC)C(Cc1ccccc1)O[Si](CCCC)(CCCC)CCCC,CI,0
CCOC(=O)NN=C(OCC)c1ccccc1,CI,0
N#Cc1ccccc1NC(=O)C(O)C(O)C(O)C(O)C=O,CI,0
CNC(C#N)c1ccc(OC)cc1,CI,0
CCCNC(C#N)c1ccc(C(C#N)NCCC)cc1,CI,0
CC(C#N)NCc1ccc(C(C)NC(C)C#N)cc1,CI,0
CCC(C#N)NCc1ccc(CNC(C#N)CC)cc1,CI,0
CCC(C#N)NCc1cccc(CNC(C#N)CC)c1,CI,0
CCC(C#N)N(Cc1cccc(CN(C(C)=O)C(C#N)CC)c1)C(C)=O,CI,0
CCC(=O)c1cc(C(=O)C(=S)SC)cc(C(=O)C(=S)SC)c1,CI,0
CCOP(=O)(OCC)C(F)=Cc1ccccc1,CI,0
CCOP(=O)(OCC)C(F)=Cc1ccc(F)cc1,CI,0
COc1ccccc1C(=O)NO,CI,0
COc1ccc(C(=O)NO)cc1,CI,0
O=C(NO)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(NCCCl)N(O)C(=O)Nc1ccccc1,CI,0
Cc1cccc(NC(=O)ON=C(Cl)C(C)C)c1,CI,0
Cc1ccccc1NC(=O)ON=C(Cl)C(C)C,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(F)c(Cl)c1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1ccc(Br)cc1,CI,0
CCC(Cl)=NOC(=O)Nc1ccc(OC)c(C)c1,CI,0
CC(C)C(Cl)=NOC(=O)Nc1cccc(C(F)(F)F)c1,CI,0
CCCC(Cl)=NOC(=O)Nc1ccc(F)cc1,CI,0
COC(=O)c1ccc(NC(=O)ON=C(Cl)C(C)C)cc1,CI,0
CC(Cl)=NOC(=O)Nc1ccc(S(N)(=O)=O)c(C)c1,CI,0
CCCC(Cl)=NOC(=O)Nc1cccc(F)c1,CI,0
CCCC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F,CI,0
CCC(Cl)=NOC(=O)Nc1ccc(OC)cc1,CI,0
CCC(Cl)=NOC(=O)Nc1ccc(F)cc1F,CI,0
Cc1ccc(F)cc1NC(=O)ON=C(Cl)C(C)C,CI,0
CCC(Cl)=NOC(=O)Nc1ccccc1OC(F)(F)F,CI,0
CCC(Cl)=NOC(=O)NCc1ccc(F)cc1,CI,0
COc1ccc(Cl)cc1NC(=O)ON=C(Cl)C(C)C,CI,0
COc1ccc(C(F)(F)F)cc1NC(=O)ON=C(Cl)C(C)C,CI,0
CCCC(Cl)=NOC(=O)Nc1ccc(OC(F)(F)F)cc1,CI,0
CC(C)C(Cl)=NOC(=O)NNc1ccccc1,CI,0
Cc1ccc(S(=O)(=O)CNC(=O)C(O)(O)C(F)(F)F)cc1,CI,0
NNC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN,CI,0
Cc1ccc(S(=O)(=O)NC(CCC(=O)NN)C(=O)NN)cc1,CI,0
NC(=O)NC(=O)CCC(NS(=O)(=O)c1ccccc1)C(=O)NC(N)=O,CI,0
N=C(Nc1ccc(O)cc1)[SH](=O)=O,CI,0
N=C(Nc1ccc(O)cc1)S(=O)(=O)O,CM,1
CC(C)(C)OC(=O)NNC(=N)Cc1ccccc1,CI,0
CC(C)(C)OC(=O)NNC(=N)c1ccccc1,CI,0
CN(N=O)C(=N)NC(=O)c1ccccc1,CI,0
NS(=O)(=O)c1ccc(C(=O)O)cc1,CI,0
CS(=O)(=O)c1cc([N+](=O)[O-])c(C(N)=O)cc1N(CCCl)CCCl,CI,0
CCOC(=O)NC(=S)NC(C)c1ccccc1,CI,0
CC(C)(C)OC(=O)NC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O,CI,0
CC(C)(C)OC(=O)NNC(=N)Cc1ccc(Cl)cc1,CI,0
CCCCCCCCCC(=O)CC(=O)c1c(O)cc(O)cc1O,CI,0
CCCCCCCCCC(O)CC(=O)c1c(O)cccc1O,CI,0
COc1ccc(C=C(Cl)Cl)cc1OC,CI,0
CCCCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O,CI,0
CC(C)(C)C(=O)C(CC(=O)c1ccccc1)C(=O)C(C)(C)C,CI,0
CC(C)(C)C(=O)C(Cc1ccccc1)C(=O)C(C)(C)C,CI,0
CC(C)(C)C(=O)C(C(=O)c1ccccc1)C(=O)C(C)(C)C,CI,0
CC(C)COP(=O)(OCC(C)C)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)c(Cl)c1)C(F)(F)F,CI,0
CCOC(=O)C(NCc1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F,CI,0
CCOC(=O)C(Cl)(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F,CI,0
CCOC(=O)C(O)(NC(=O)c1ccccc1F)C(F)(F)F,CI,0
CCOC(=O)C(O)(NC(=O)c1ccc(F)cc1)C(F)(F)F,CI,0
CCOC(=O)C(Cl)(NC(=O)c1ccc(F)cc1)C(F)(F)F,CI,0
O=C(NC(Cl)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1,CI,0
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Cc1c(C#N)c(N)nc(S)c1C#N,CI,0
Cc1ccc(C(CCO)CCO)nc1,CI,0
CC(=NNC(=N)OB(F)F)c1ccccn1,CI,0
COC(N)=C(C#N)N=Cc1cccnc1,CI,0
N#CC(C#N)N=Cc1ccncc1,CI,0
O=S(=O)(N(c1ccc(Cl)cn1)S(=O)(=O)C(F)(F)F)C(F)(F)F,CI,0
CCCC(=O)NC(Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F,CM,1
CCOC(=O)C(C(C)=O)=C(OC(C)=O)c1ccncc1C(=O)O,CI,0
CN(C)CCCNCc1cc(N(C)C)cc(CNCCCN(C)C)n1,CI,0
CN(C)c1cc(CNCCS)nc(CNCCS)c1.Cl,CI,0
CN(C)c1cc(CNCCSC(C)(C)C)nc(CNCCSC(C)(C)C)c1,CI,0
COC(=O)C(CCSC)NCc1cc(N(C)C)cc(CNC(CCSC)C(=O)OC)n1,CI,0
COC(=O)CNCc1cc(N(C)C)cc(CNCC(=O)OC)n1,CI,0
CN(C)C=Cc1ccncc1,CI,0
CSc1c(C#N)c(O)nc(S)c1C#N,CI,0
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCC,CI,0
O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1,CI,0
O=C(O)C1OC(n2cc([N+](=O)[O-])c(=O)[nH]c2=O)C(O)C1O,CI,0
CC(=O)OCC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)CC1OC(C)=O,CI,0
Cc1cn(C2CC(F)C(CO)O2)c(=O)[nH]c1=O,CA,1
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1F,CI,0
O=c1[nH]c(=O)n(C2CCCO2)cc1F,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1S,CI,0
Cc1cn(C2CC(O)C(CN=[N+]=[N-])O2)c(=O)[nH]c1=O,CI,0
O=c1[nH]c(=O)n(C2OC(CF)C(O)C2O)cc1Br,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,CA,1
CCCCCCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O,CI,0
CC(=NNC(N)=S)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,CI,0
Cc1cn(C2CC(NC(=N)NO)C(CO)O2)c(=O)[nH]c1=O,CI,0
CCOC(=O)NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
COC(=O)NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
O=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1F,CI,0
O=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1Cl,CI,0
O=c1ccn(C2OC(CO)CC2F)c(=O)[nH]1,CI,0
Cc1cn(C2OC(CO)CC2F)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(OC=O)C(CO)O2)c(=O)[nH]c1=O,CM,1
O=COC1CC(n2ccc(=O)[nH]c2=O)OC1CO,CI,0
NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OS(=O)(=O)C(F)(F)F,CI,0
CCOc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
CC(C)(C)NN=Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(OCC(F)(F)F)OCC(F)(F)F,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1COCC(F)(F)F,CI,0
O=c1[nH]c(=O)n(C2CC(F)(F)C(CO)O2)cc1COCC(F)(F)F,CI,0
O=c1ccn(C2OC(CO)C(F)C2F)c(=O)[nH]1,CI,0
CCCCCCCCCCCCCCCCCCSCC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC.[NaH],CA,1
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC.[NaH],CM,1
NC1CC(n2ccc(=O)[nH]c2=O)OC1C(O)CO,CI,0
[N-]=[N+]=NC1CC(n2cc(CO)c(=O)[nH]c2=O)OC1CO,CI,0
COCc1cn(C2CC(F)C(CO)O2)c(=O)[nH]c1=O,CA,1
O=c1[nH]c(=O)n(C2CC(F)C(CO)O2)cc1CO,CI,0
Cc1cn(C2CC(CCCO)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2OC(C)(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
CCOC(C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CM,1
CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O,CI,0
CCCCCCCCCCCCC(Br)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O,CI,0
CCSCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O,CM,1
CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
COCc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O)C(COC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2)c(=O)[nH]c1=O,CI,0
CCCCCCCCCCCCC(N=[N+]=[N-])C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O,CI,0
Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCCN=[N+]=[NH2+])O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCBr)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(C(=O)O)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N)C(C(=O)O)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCBr)O2)c(=O)[nH]c1=O,CA,1
COCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
Cc1cn(C2CC(N)C(C(=O)NCC(=O)O)O2)c(=O)[nH]c1=O,CI,0
COCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCSCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCSCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCOCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCCCCCCOCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCSCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F,CA,1
CCCCCCCCCCCCC(F)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
Cc1cn(C2CC(F)C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O,CA,1
CCCCCCCCCCCCC(Br)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O,CA,1
CC(=O)COP(=O)(OCC(C)=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
Cc1cn(C2CC(F)C(COC(=O)CCCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O,CA,1
COCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F,CA,1
CCSCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F,CA,1
CCSCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F,CA,1
Cc1cn(C2CC(N=[N+]=[NH2+])C(COC(=O)CCCCCCCCCCCI)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N(C)O)C(CO)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC(NO)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(ON)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCF)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCCl)O2)c(=O)[nH]c1=O,CA,1
COC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0
COC1CC(n2ccc(=O)[nH]c2=O)OC1CO,CI,0
CCOP(=O)(OCC)C1(O)CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0
CCCCNN=Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O,CI,0
CONC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0
COC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)OC,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=[N+]([O-])C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.[NaH],CI,0
CCCCCCCCCCCCCCCCOCC(Cl)COP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.[NaH],CI,0
CCOP(=O)(OCC)OC1CC(n2cc(C)c(=O)n(C)c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2OC(CO)C(CN=[N+]=[N-])C2O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCOCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCOCCCCCCCCCl)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(O)C(CN(O)C(N)=O)O2)c(=O)[nH]c1=O,CI,0
CCOP(=O)(OCC)C1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O,CI,0
CCOP(=O)(O)C1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O,CI,0
CCOP(=O)(OCC)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0
CC(=O)OCC1OC(n2c(C#N)cc(=O)[nH]c2=O)CC1OC(C)=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CM,1
CC1OC(n2cc(F)c(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC#N,CI,0
CN(C)C(=O)OCOP(=O)(OCOC(=O)N(C)C)OCC1CCC(n2ccc(=O)[nH]c2=O)O1,CI,0
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O,CI,0
Cc1cn(C2CCC(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O,CA,1
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1CCC(n2ccc(=O)[nH]c2=O)O1,CA,1
COC(=O)CC1C(COC(C)=O)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O,CI,0
CCC[CH-][N+](=O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
CCCCN(O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
COC(=O)CC1C(COC(C)=O)OC(n2cc(C)c(=O)[nH]c2=O)C1OC(C)=O,CI,0
C#CC1(O)C(CO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
C#CC1(O)C(C=NO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CCC(CO)(CF)O2)c(=O)[nH]c1=O,CI,0
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC,CI,0
CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CI,0
Cc1cn(C2CC(NO)C(CO)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC(N(O)C(N)=O)C(CO)O2)c(=O)[nH]c1=O,CI,0
C=CC1(O)CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0
Cc1cn(C2CC(N)C(CN)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2OC(CO)(C(F)(F)F)C(O)C2O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O)C(CO)(C(F)(F)F)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CCC(CO)(C(F)(F)F)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2OC(CO)C(CC(N)=O)C2O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(NC(=O)NO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC(=N)NO,CI,0
Cc1cn(C2CC(NC(=O)NO)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CN(O)C(N)=O)O2)c(=O)[nH]c1=O,CI,0
C=CCC1C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(ONC(N)=O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CC(=O)SCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O,CI,0
CCCCCCCN(O)CC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O,CI,0
CCCCCCC=[N+]([O-])CC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
C=CCC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
CCOP(=O)(OCC)C(C1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N(C)O,CI,0
Cc1cn(C2CC(NC(=O)N(C)O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=[N+](C)[O-])O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(NC(=O)N(C)O)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(SCCO)C(CO)O2)c(=O)[nH]c1=O,CI,0
C=CCC1(O)CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
C=CCC1C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1n1ccc(=O)[nH]c1=O,CI,0
Cc1cn(C2CCC(C=NO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CCC(COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O,CM,1
CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1CCC(n2cc(C)c(=O)[nH]c2=O)O1,CM,1
CCCCCCCCCCCCCCCCCCOC(CO)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F,CA,1
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=NO)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OC1C(CC#N)C(CO)OC1n1ccc(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OC1C(C=NO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(O)C(CNC(=O)NO)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(O)CC=NO,CI,0
C=CCC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
[CH2-][N+](=O)CCC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
C=CCC1(O)CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC1(O)CC=NO,CI,0
CONC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
NC(=O)CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O,CI,0
[CH2-][N+](=O)CCC1(O)CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
CCOC(=O)CC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(O)C(N=[N+]=[N-])C(N)=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(O)C(Cl)C(N)=O,CI,0
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CI,0
O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CI,0
N#CC(=Cc1ccccc1)c1ccccc1,CI,0
COc1ccc(C(C#N)=Cc2cccc([N+](=O)[O-])c2)cc1,CI,0
COc1ccc(C=C(C#N)c2ccccc2)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1,CI,0
COc1ccc(C(C#N)=Cc2ccc(N(C)C)cc2)cc1,CI,0
COc1ccc(C(C#N)=Cc2cccc(N)c2)cc1,CI,0
COc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1,CI,0
N#CC(=Cc1ccccc1)c1ccc(Cl)cc1,CI,0
CCOC(=O)c1ccc(C(C#N)=Cc2ccc(Cl)cc2)cc1,CI,0
C=CCc1cc(C(CC)=C(CC)c2ccc(OCCN(CC)CC)c(CC=C)c2)ccc1OCCN(CC)CC,CI,0
CC(=O)Nc1ccc(C=C(C#N)c2ccccc2)cc1,CI,0
COc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1,CI,0
CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(C(F)(F)F)cc2)cc1,CI,0
CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1,CI,0
CCC(=C(C#N)c1ccc(F)cc1)c1ccc(OCCN(CC)CC)cc1,CI,0
CCC(=C(C#N)c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
CCC(=C(C#N)c1ccc(Cl)cc1)c1ccc(OCCN(CC)CC)cc1,CI,0
CCCCCCCSc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1,CI,0
CCSc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1,CI,0
CCN(CC)CCOc1cccc(C=C(C#N)c2ccccc2)c1,CI,0
CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(N(CC)CC)cc2)cc1,CI,0
CCN(CC)CCOc1ccc(C(C#N)=Cc2ccccc2OCCN(CC)CC)cc1,CI,0
CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(SC(C)C)cc2)cc1,CI,0
CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(OCCO)cc2)cc1,CI,0
COc1ccc(OC)c(C=Cc2ccccc2)c1,CI,0
N#CC(=Cc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1,CI,0
N#CC(=Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1,CI,0
N#CC(=C(C#N)c1ccccc1)c1ccccc1,CI,0
CC(=O)Nc1ccccc1C(C#N)=Cc1ccccc1,CI,0
N#CC(=Cc1ccccc1)c1ccccc1[N+](=O)[O-],CI,0
COc1ccc(C=C(C#N)c2ccccc2[N+](=O)[O-])cc1,CI,0
COc1ccc([N+](=O)[O-])c(C(C#N)=Cc2ccccc2)c1,CI,0
N#CC(=Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-],CI,0
CCC(=C(C#N)c1ccc(OC)cc1)c1ccc(N(C)C)cc1,CI,0
COc1ccc(C(C#N)=Cc2ccccc2OC)cc1,CI,0
COc1ccc(C(C#N)=Cc2cccc(OC)c2OC)cc1,CI,0
COc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1,CI,0
COc1ccc(C(C#N)=Cc2ccccc2)cc1,CI,0
COc1ccc(C(C#N)=Cc2ccc(OC)c(OC)c2)cc1,CI,0
COc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC,CI,0
COc1ccc(C=C(C#N)c2ccc(C)cc2)cc1OC,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(Cl)c1,CI,0
COc1ccc(OC)c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2)c(Cl)c1,CI,0
N#CC(=Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1,CI,0
N#CC(=Cc1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)Nc1ccc(C=C(C#N)c2ccc(C)cc2)cc1,CI,0
N#CC(=Cc1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1,CI,0
COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1O,CI,0
COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1OC,CM,1
CCOc1ccc(C=C(C#N)c2cccc(Cl)c2)cc1,CI,0
Cc1ccc(C(C#N)=Cc2cccc([N+](=O)[O-])c2)cc1,CI,0
COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-],CI,0
CCc1ccc(C(C#N)=Cc2ccccc2Cl)cc1,CI,0
COc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1,CI,0
CN(CCC#N)c1ccc(C=C(C#N)c2ccc(Br)cc2)cc1,CI,0
CCc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1,CI,0
CN(CCC#N)c1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1,CI,0
CCc1ccc(C(C#N)=Cc2ccc(OC)cc2)cc1,CI,0
N#CC(=Cc1cccc(N)c1)c1ccccc1,CI,0
N#CC(=Cc1ccc(Cl)cc1)c1ccccc1,CI,0
N#CC(=C(N)c1ccccc1)c1ccccc1,CI,0
N#CC(=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
CN(CCC#N)c1ccc(C=C(C#N)c2cccc(C(F)(F)F)c2)cc1,CI,0
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,CI,0
COc1cc(C=Cc2ccc(O)c(OC)c2)cc(OC)c1,CI,0
N#CC(=Cc1ccccc1)c1ccccc1F,CI,0
N#CC(=Cc1ccccc1)c1cccc(F)c1,CI,0
N#CC(=Cc1ccccc1)c1ccc(F)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2cccc(F)c2)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(F)cc2)cc1,CI,0
N#CC(=Cc1ccccc1)c1ccc(F)cc1F,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(F)cc2F)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccccc2Cl)cc1,CM,1
CN(C)c1ccc(C=C(C#N)c2cccc(Cl)c2)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2Cl)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2c(Cl)cccc2Cl)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(Cl)c(Cl)c2)cc1,CI,0
N#CC(=Cc1ccccc1)c1cccc(Br)c1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccccc2Br)cc1,CM,1
CN(C)c1ccc(C=C(C#N)c2cccc(Br)c2)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(Br)cc2)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2ccc(Br)cc2Br)cc1,CI,0
CN(C)c1ccc(C=C(C#N)c2c(Br)cccc2Br)cc1,CI,0
N#CC(=Cc1ccccc1)c1cccc(I)c1,CI,0
CN(C)c1ccc(C=C(C#N)c2cccc(I)c2)cc1,CI,0
Cc1ccc(C(C#N)=Cc2ccc(N(C)C)cc2)cc1,CI,0
Cc1cc(C)cc(C(C#N)=Cc2ccc(N(C)C)cc2)c1,CI,0
Cc1ccc([N+](=O)[O-])cc1C(C#N)=Cc1ccccc1,CI,0
Cc1cc(C(C#N)=Cc2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-],CI,0
Cc1ccc(C(C#N)=Cc2ccccc2)cc1,CI,0
N#CC(=Cc1ccccc1Cl)c1ccccc1,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C,CI,0
COc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OC,CA,1
COc1cc(C=Cc2ccc(OC)c(OC)c2)cc(OC)c1,CI,0
CCCCCCCCCCCCCCCCOP(=O)(O)Oc1ccc(C=Cc2ccc(OP(=O)(O)OCCCCCCCCCCCCCCCC)cc2)cc1.[NaH],CI,0
COc1ccc(C(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)O)cc1,CI,0
COc1ccc(C(Cl)=C(C=O)c2ccccc2)cc1OC,CI,0
COc1cc(Br)c(C(=Cc2ccccc2N)C(=O)O)cc1OC,CI,0
CSC(=C(S)c1ccccc1)c1ccccc1,CI,0
O=CC(=C(Cl)c1ccc(O)cc1)c1ccccc1,CI,0
CCCS(=O)(=O)C(=C(c1ccc(Br)cc1)S(=O)(=O)CCC)c1ccc(Br)cc1,CI,0
CC(C)CS(=O)(=O)C(=C(c1ccc(Br)cc1)S(=O)(=O)CC(C)C)c1ccc(Br)cc1,CI,0
N#CC(=Cc1cccc(C#N)c1)c1ccccc1,CI,0
CC(=O)C(=Cc1ccc(N(C)C)cc1)c1ccccc1,CI,0
COc1ccc(C=C(C(C)=O)c2ccccc2)cc1,CI,0
CC(=O)C(=Cc1cccc(F)c1)c1ccccc1,CI,0
N#CC(=Cc1ccc(C#N)cc1)c1ccccc1,CI,0
N#CC(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0
N#CC(=Cc1ccccc1[N+](=O)[O-])c1ccccc1,CI,0
COc1ccc(C=C(C(=O)O)c2ccccc2)cc1,CI,0
O=C(O)C(=Cc1ccc(F)cc1)c1ccccc1,CI,0
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0
COc1ccc(C=C(C#N)c2ccccc2)cc1OC,CI,0
N#CC(=Cc1c(Cl)cccc1Cl)c1ccccc1,CI,0
COc1ccccc1C=C(C#N)c1ccccc1,CI,0
N#CC(=Cc1cccc(Cl)c1Cl)c1ccccc1,CI,0
Cc1ccc(C=C(C#N)c2ccccc2)cc1,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCC(=O)O,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O.O=C(O)C(F)(F)F,CI,0
O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1ccccc1,CI,0
COc1ccc(OC)c(C=C(C#N)c2ccccc2)c1,CI,0
COc1cc(C=C(C#N)c2ccccc2)cc(OC)c1,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[NaH],CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)O.[NaH],CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O.Cl,CI,0
N=C(N)c1ccc(C=Cc2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO,CI,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(N)C(=O)O.Cl,CI,0
CCN(CC)Cc1c(C=Cc2cc(OC)c(OC)c(OC)c2)ccc(OC)c1O.Cl,CI,0
CC(=O)Nc1ccc(C=Cc2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CI,0
COc1cccc(C(C=O)=C(Cl)c2ccc(OC)c(OC)c2)c1,CI,0
COc1cccc(C(Cl)=C(C=O)c2cccc(OC)c2)c1,CI,0
CCOc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OCC,CI,0
CCCOc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OCCC,CI,0
COc1ccc(C(Cl)=C(C=NO)c2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1cc(C=Cc2ccc(SC)cc2)cc(OC)c1OC,CI,0
O=C(O)c1cc(C=Cc2cc(O)ccc2O)ccc1O,CI,0
COc1ccc(C=C(Cl)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C=C(Cl)c2ccc(OC)c(OC)c2)cc1OC,CM,1
COc1ccc(C(Cl)=Cc2cc(OC)ccc2OC)cc1,CI,0
COc1ccc(C(Cl)=Cc2ccc(Cl)c(Cl)c2)cc1,CI,0
CCOc1ccc(C=C(Cl)c2ccc(OC)cc2)cc1,CI,0
CCOc1ccc(C=C(Cl)c2ccc(OC)c(OC)c2)cc1,CI,0
CC(=C(C)c1ccc(O)cc1)c1ccc(O)cc1,CI,0
CCC(=Cc1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
Cl.Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CI,0
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0
CN(C)c1cccc(C=C(C#N)c2ccccc2)c1,CI,0
Oc1ccc(C=Cc2ccc(O)c(O)c2)cc1O,CI,0
COC(=O)c1ccc(C=Cc2cc(O)ccc2O)cc1,CI,0
COc1ccc(C(Cl)=C(C#N)c2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1ccc(C=C(C(=O)OCC(C)C)c2ccc(OC)c(OC)c2)cc1OC,CI,0
C=CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1,CI,0
COc1cccc(C=Cc2ccc(O)cc2)c1,CI,0
CCOC(=O)Nc1ccc(C(=O)C=Cc2ccc(N(CC)CC)cc2)cc1,CI,0
COc1ccc(C=CC(=O)c2c(OC)cc(OC)c(OC)c2O)cc1,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1,CI,0
CC(=O)Oc1ccccc1C(=O)C=Cc1ccccc1,CI,0
COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1,CI,0
O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccccc1,CI,0
CC(C)(C)c1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1,CM,1
O=C(C=Cc1ccc(O)cc1)c1cc(Cl)ccc1O,CI,0
CC(C)(C)c1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O,CI,0
COc1ccc(C(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1,CI,0
CC(C)(C)c1cc(C(=O)C=Cc2ccccc2)cc(C(C)(C)C)c1O,CI,0
COc1ccc(C=CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1,CI,0
O=C(C=Cc1ccccc1Cl)c1ccc(Cl)cc1Cl,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl,CI,0
O=C(C=Cc1ccccc1)c1ccc(Cl)cc1Cl,CI,0
O=C(C=Cc1ccccc1Cl)c1ccccc1Cl,CI,0
Cc1ccc(C(=O)C=Cc2ccccc2Cl)cc1,CI,0
CC(=O)C(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1ccc(C#N)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(C)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(F)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc(Cl)c1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1,CI,0
Nc1cccc(C(=O)C=Cc2ccccc2O)c1,CI,0
O=C(C=Cc1ccccc1O)c1ccc(O)cc1O,CA,1
O=C(C=Cc1ccccc1O)c1cccc(O)c1,CI,0
O=C(C=Cc1ccccc1O)c1ccccc1O,CI,0
CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1,CI,0
COc1ccc(C=CC(=O)c2ccccc2)cc1,CI,0
COc1ccccc1C=CC(=O)c1ccccc1,CI,0
COc1cccc(C=CC(=O)c2ccccc2)c1,CI,0
O=C(C=Cc1ccc(Cl)cc1)c1ccccc1,CI,0
O=C(C=Cc1ccc(Br)cc1)c1ccccc1,CI,0
O=C(C=Cc1cccc(F)c1)c1ccccc1,CI,0
O=C(C=Cc1cccc(Cl)c1)c1ccccc1,CI,0
O=C(C=Cc1ccccc1F)c1ccccc1,CI,0
O=C(C=Cc1cccc(Br)c1)c1ccccc1,CI,0
O=C(C=Cc1ccccc1Cl)c1ccccc1,CI,0
N#Cc1cccc(C=CC(=O)c2ccccc2)c1,CI,0
O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccccc1,CI,0
N#Cc1ccc(C=CC(=O)c2ccccc2)cc1,CI,0
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0
O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1,CI,0
CC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1,CI,0
COc1ccc(C=C(C(C)=O)C(=O)c2ccccc2)cc1,CI,0
COc1ccccc1C=C(C(C)=O)C(=O)c1ccccc1,CI,0
COc1cccc(C=C(C(C)=O)C(=O)c2ccccc2)c1,CI,0
CC(=O)C(=Cc1ccc(Br)cc1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1cccc(F)c1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1cccc(Cl)c1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1ccccc1F)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1cccc(Br)c1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1ccccc1Cl)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1cccc(C#N)c1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1ccccc1Br)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1,CI,0
CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1,CI,0
Cc1ccc(C(=O)C=Cc2ccccc2O)c(C)c1,CI,0
CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1,CI,0
COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1,CI,0
Cc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1,CI,0
Cc1cccc(C=C(C#N)C(=O)c2ccccc2)c1,CI,0
N#CC(=Cc1ccc(F)cc1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccccc1)C(=O)c1ccccc1,CI,0
COc1cccc(C=C(C#N)C(=O)c2ccccc2)c1,CI,0
N#CC(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccc(Br)cc1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1cccc(F)c1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1cccc(Cl)c1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1cccc(Br)c1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccccc1Cl)C(=O)c1ccccc1,CI,0
N#CC(=Cc1cccc(C#N)c1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccc(C#N)cc1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1,CI,0
Nc1ccccc1C(=O)C=Cc1ccccc1O,CI,0
O=C(C=Cc1ccccc1O)c1ccccc1Cl,CI,0
O=C(C=Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1,CI,0
O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1,CI,0
O=C(C=Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl,CI,0
COc1cc(C(=O)C=Cc2ccccc2O)ccc1O,CI,0
Cc1ccc(C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1,CI,0
O=C(C=Cc1ccccc1O)c1ccccc1,CI,0
CC(=O)Nc1ccc(C=CC(=O)c2ccccc2)cc1,CI,0
Cc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1,CI,0
O=C(C=Cc1cc(Cl)cc(Cl)c1O)c1cccc(O)c1,CI,0
COc1cc(C)c(C(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc1O,CI,0
C=CCc1cc(OC)c(O)c(C(=O)C=Cc2ccc(OC)c(OC)c2)c1,CI,0
CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1Br,CI,0
CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1Br,CI,0
CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1,CI,0
COc1ccc(C=CC(=O)c2ccccc2)cc1OC,CI,0
COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(C=C(C#N)C(=O)c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(C=C(C#N)C(=O)c2ccccc2)ccc1O,CI,0
CCOC(=O)C(=Cc1ccc(O)c(OC)c1)C(=O)c1ccccc1,CI,0
COc1ccccc1C=C(C#N)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccccc1Br)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccccc1F)C(=O)c1ccccc1,CI,0
Cc1cc(C)c(C(=O)C=Cc2ccccc2)c(C)c1,CI,0
CC(=Cc1ccccc1)C(=O)c1c(C)cc(C)cc1C,CI,0
CCOC(=O)C(C)(C)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(C=CC(=O)c2cc(C)ccc2OC(C)=O)cc1,CI,0
COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1,CI,0
N#CCOc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC#N)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC#N)cc2)cc1OC,CI,0
COc1cc(C(=O)C=Cc2ccc(OCC#N)cc2)cc(OC)c1OC,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC(=N)N)cc2)cc1.Cl,CI,0
COc1cccc(C=CC(=O)c2ccccc2)c1O,CM,1
CCOc1ccc(C=CC(=O)c2ccccc2)cc1,CI,0
CC(C)C=Cc1cc(C=CC(=O)c2cc(C=CC(C)C)c(O)cc2O)ccc1O,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC(=N)N)cc2)cc1OC.Cl,CI,0
N#Cc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)cc1,CI,0
CN(C)c1ccc(C=CC(=O)c2ccc(O)cc2)cc1,CI,0
O=C(C=Cc1ccc(O)cc1)c1cc(O)cc(O)c1,CI,0
O=C(C=Cc1ccc(O)c(O)c1)c1cc(O)cc(O)c1,CI,0
COc1cc(C=CC(=O)c2ccc(O)c(OC)c2)ccc1O,CI,0
CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccccc2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)cc2)cc(CN(C)C)c1O.Cl,CI,0
COc1ccc(C=CC(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccccc2Cl)cc(CN(C)C)c1O.Cl,CI,0
Cc1ccc(C=CC(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2c(Cl)cccc2Cl)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(Br)cc2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(F)cc2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(O)cc2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C(=O)C=Cc2cccc(Cl)c2)cc(CN(C)C)c1O.Cl,CI,0
CCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC(=O)O)cc2)cc1,CI,0
CN(C)Cc1cc(C(=O)C=Cc2c(F)cccc2Cl)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(C=CC(=O)c2ccc(Br)cc2)cc(CN(C)C)c1O.Cl,CI,0
O=C(C=Cc1ccccc1Br)c1ccccc1,CI,0
COc1ccc(C=CC(=O)c2cc(OC)cc(OC)c2)cc1,CI,0
O=c1ccc2cc(Cl)ccc2o1,CI,0
Cc1cc(=O)oc2cc(O)cc(O)c12,CI,0
Cc1ccc2oc(=O)ccc2c1,CI,0
O=c1ccc2ccccc2o1,CI,0
CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CI,0
Cc1cc(=O)oc2cc(O)ccc12,CI,0
O=c1oc2ccc([N+](=O)[O-])cc2cc1Br,CI,0
CC(=O)c1c(O)c2ccccc2oc1=O,CI,0
O=c1cc(O)c2ccccc2o1,CI,0
Cc1ccc2ccc(=O)oc2c1,CI,0
O=c1ccc2ccc(O)cc2o1,CI,0
Cc1cc(=O)oc2ccccc12,CI,0
Cc1c(Cl)c(=O)oc2cc(O)ccc12,CI,0
O=c1ccc2cc(O)c(O)cc2o1,CI,0
CC(=O)c1cc2ccccc2oc1=O,CI,0
COc1cc2oc(=O)ccc2cc1CC=C(C)C,CI,0
NS(=O)(=O)c1c(O)c2ccccc2oc1=O,CI,0
COc1cc2oc(=O)cc(C)c2cc1O,CI,0
Cc1cc(=O)oc2c(O)c(O)ccc12,CI,0
Cc1cc(=O)oc2cc(N)ccc12,CI,0
O=c1ccc2cc([N+](=O)[O-])ccc2o1,CI,0
O=C(O)c1cc2ccccc2oc1=O,CI,0
O=c1oc2ccccc2cc1Cl,CI,0
C=CCOc1ccc2c(C)cc(=O)oc2c1C,CI,0
C=CCc1cc2c(C)cc(=O)oc2c(C)c1OC(C)=O,CI,0
CCOc1ccc2c(C)cc(=O)oc2c1,CI,0
CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CI,0
Cc1cc(=O)oc2c(C)c(O)ccc12,CI,0
Cc1c(O)c2ccccc2oc1=O,CI,0
CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
N=C(N)Nc1ccc2oc(=O)ccc2c1,CI,0
CC(=O)Nc1ccc2oc(=O)ccc2c1,CI,0
CC(=NNC(N)=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
CCN(CC)CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
O=C(O)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
O=C(CI)Nc1ccc2oc(=O)c(C(=O)O)cc2c1,CI,0
Nc1ccc2oc(=O)c(C(=O)O)cc2c1,CI,0
CC(C)=CCCC(C)=CCc1cc2ccc(=O)oc2cc1O,CI,0
CNc1cc2oc(=O)cc(C)c2cc1C,CI,0
CCNc1cc2oc(=O)cc(C)c2cc1C,CI,0
O=c1oc2ccccc2cc1P(=O)(O)O,CI,0
COc1cc(OC)c2ccc(=O)oc2c1,CI,0
COc1cc2c(C)cc(=O)oc2cc1O,CI,0
CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1,CI,0
O=c1cc(O)c2c(O)cc(O)cc2o1,CI,0
O=C(O)c1c(O)c2cc(Cl)ccc2oc1=O,CI,0
O=C(O)c1c(O)c2cc(Br)ccc2oc1=O,CI,0
O=C(O)c1c(O)c2cc([N+](=O)[O-])ccc2oc1=O,CI,0
O=c1cc(O)c2ccc(O)cc2o1,CI,0
COc1ccc2c(O)c(Cl)c(=O)oc2c1,CI,0
COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-],CI,0
Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CI,0
Cc1cc(=O)oc2cc(NCS(=O)(=O)O)ccc12,CI,0
CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C,CI,0
CC(=O)Nc1cc2cc(N)ccc2oc1=O,CI,0
Nc1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
CC(=O)Nc1cc2cc(NC=C(C#N)C#N)ccc2oc1=O,CI,0
CC(=O)Nc1cc2cc(N=CN(C)C)ccc2oc1=O,CI,0
CC(=O)Nc1cc2cc(NC(=O)C(Cl)(Cl)Cl)ccc2oc1=O,CI,0
CCC(=O)c1c(O)c2ccccc2oc1=O,CI,0
CCCCCCC(=O)c1c(O)c2ccccc2oc1=O,CI,0
CCCCCCCCCCCC(=O)c1c(O)c2ccccc2oc1=O,CI,0
CCCCC(=O)c1c(O)c2ccccc2oc1=O,CI,0
CCCCCCCC(=O)c1c(O)c2ccccc2oc1=O,CI,0
Cc1cc(=O)oc2cc(O)c([N+](=O)[O-])cc12,CI,0
COc1cc2ccc(=O)oc2cc1O,CI,0
Cc1cc(=O)oc2cc(N(C)C)ccc12,CI,0
CCN(CC)c1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-],CI,0
CCCCNc1cc2oc(=O)cc(C)c2cc1N,CI,0
O=c1oc2ccccc2c(O)c1[N+](=O)[O-],CI,0
CCC(C)C(=O)c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c2c(C(O)CC)cc(=O)oc12,CI,0
Cl.Nc1ccc2oc(=O)ccc2c1,CI,0
CCCCOC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O,CI,0
CCOC(=O)CCc1c(C)c2c(OC)cc(OC)cc2oc1=O,CI,0
Cc1cccc2c(O)cc(=O)oc12,CI,0
Cc1c(C)c2ccc(OC(C)C(=O)O)cc2oc1=O,CI,0
O=c1ccc2ccc(O)c(O)c2o1,CI,0
CN(C)c1cc2ccccc2oc1=O,CI,0
COc1cc2ccccc2oc1=O,CI,0
O=c1oc2ccccc2cc1F,CI,0
Cc1ccc2c(CC(=O)O)cc(=O)oc2c1,CI,0
Cc1ccc2oc(=O)cc(CC(=O)O)c2c1,CI,0
O=C(O)Cc1cc(=O)oc2cc(O)c(Cl)cc12,CI,0
O=C(O)Cc1cc(=O)oc2cc(O)ccc12,CI,0
CCCCN(CC)CC(C(C)=O)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CCc1c(N=[N+]=[N-])c2ccccc2oc1=O,CI,0
[N-]=[N+]=Nc1cc(=O)oc2ccccc12,CI,0
CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c2ccccc2oc1=O,CI,0
CCOP(=O)(OCC)c1cc2cc(O)ccc2oc1=O,CI,0
O=c1ccc2ccc(OP(=O)(O)O)cc2o1,CI,0
CC(=O)OC(Cc1c(O)c2c(C)cccc2oc1=O)C(C)(C)O,CI,0
COc1ccc2oc(=O)c(CC=C(C)C)c(O)c2c1C,CI,0
O=c1cc(CBr)c2ccc(O)cc2o1,CI,0
CCOC(=O)Cc1cc(=O)oc2cc(O)ccc12,CI,0
CC(C)OCC(O)COc1ccc2ccc(=O)oc2c1,CI,0
Cc1cc(=O)oc2cc(OCC(O)COC(C)C)ccc12,CI,0
Cc1c(Cl)c(=O)oc2cc(OCC(O)COC(C)C)ccc12,CI,0
Cc1c(C)c2ccc(OCC(O)COC(C)C)c(C)c2oc1=O,CI,0
CC(C)OCC(O)COc1cc(=O)oc2ccccc12,CI,0
Cc1cc(=O)oc2c(CNC(CC(C)C)C(=O)O)c(O)ccc12,CI,0
Cc1cc(=O)oc2c(CNC(C)C(=O)O)c(O)ccc12,CI,0
Cc1cc(=O)oc2c(CNC(CO)C(=O)O)c(O)ccc12,CI,0
Cc1cc(=O)oc2c(CNC(C(=O)O)C(C)O)c(O)ccc12,CI,0
CSCCC(NCc1c(O)ccc2ccc(=O)oc12)C(=O)O,CI,0
CC(NCc1c(O)ccc2ccc(=O)oc12)C(=O)O,CI,0
O=c1ccc2cc(O)ccc2o1,CI,0
CC=C(C)C(=O)c1c(OCC)cc(OCC)c2c(CCC)cc(=O)oc12,CI,0
CCCc1cc(=O)oc2c(C=O)c(O)cc(O)c12,CI,0
CC=C(C)C(=O)c1c(O)cc(O)c2ccc(=O)oc12,CI,0
C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12,CI,0
C=C(C)C(O)C(OCC)c1c(OC)ccc2ccc(=O)oc12,CI,0
C=C(C)C(OC(C)=O)C(OCC)c1c(OC)ccc2ccc(=O)oc12,CI,0
C=C(C)C(OC(C)=O)C(OC(C)=O)c1c(OC)ccc2ccc(=O)oc12,CI,0
COc1ccc2c(C)cc(=O)oc2c1OC,CI,0
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(C)=O,CI,0
COc1cc(OC)c2c(C)cc(=O)oc2c1,CI,0
CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1,CI,0
COc1cc2oc(=O)cc(C)c2cc1OC,CI,0
CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O,CI,0
COc1cc2oc(=O)cc(C)c2c(OC)c1O,CI,0
COc1cc2oc(=O)cc(C)c2c(OC)c1OC,CI,0
COc1cc2oc(=O)cc(C)c2c(OC)c1OC(C)=O,CI,0
CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(=O)CCC,CI,0
CCCC(=O)Oc1cc(OC(=O)CCC)c2c(C)cc(=O)oc2c1,CI,0
CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O,CI,0
COc1ccc2c(C)cc(=O)oc2c1,CI,0
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,CI,0
Cc1cc(=O)oc2cc(O)c(O)cc12,CI,0
CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1,CI,0
CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O,CI,0
O=c1ccc2ccc(S)cc2o1,CI,0
CN(C)C(=S)Oc1ccc2ccc(=O)oc2c1,CI,0
Cc1cc(=O)oc2cc(SC(=O)N(C)C)ccc12,CI,0
CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12,CI,0
O=Nc1ccc(O)c2ncccc12,CI,0
Oc1c(Cl)cc(Cl)c2cccnc12,CI,0
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,CI,0
Cc1cnc2cc(Cl)ccc2c1NCCN(CC(C)C)CC(C)C.O=P(O)(O)O,CI,0
CCCCN(CCCC)CCCCNc1c(C)cnc2cc(Cl)ccc12.O=P(O)(O)O,CI,0
CC(=O)c1c(O)nc2cc(Cl)ccc2c1O,CI,0
COc1ccc2nc(O)c(C(C)=O)c(O)c2c1,CI,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O,CI,0
O=C(O)c1cnc2c([N+](=O)[O-])cccc2c1O,CI,0
O=Cc1c(O)nc2ccccc2c1O,CI,0
CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O,CI,0
Oc1ccc(I)c2cccnc12,CI,0
COc1cc(NCCCCCNC(=N)NC#N)c2ncccc2c1,CI,0
OCCN(CCO)CCCNc1ccnc2cc(Cl)ccc12,CI,0
COc1cc(NCCCNCC(C)(C)C)c2ncccc2c1,CI,0
CC(C)NCCCCCNc1cccc2cccnc12,CI,0
CCN(CC)CCCCCCNc1cc(C)cc2cccnc12.O=C(O)C(=O)O,CI,0
COc1cc(NCCN(CC(C)C)C(C)C(C)C)c2ncccc2c1,CI,0
CCc1c(O)nc2ccc(N)cc2c1C,CI,0
Oc1ccc(CCl)c2cccnc12,CI,0
Oc1cc(O)c2ccccc2n1,CI,0
Nc1cc(F)c2cccnc2c1O,CI,0
Nc1cc(I)c2cccnc2c1O,CI,0
O=Nc1c(O)nc2ccccc2c1O,CI,0
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(O)nc2c1O,CI,0
CN(C)c1ccc2nc(CC(O)(C(F)(F)F)C(F)(F)F)ccc2c1,CI,0
CC(=O)c1cc(I)c(O)c2ncccc12,CI,0
Cc1cc(NC(=O)NCC(Cl)=CCl)c2ccccc2n1,CI,0
O=C(NCC=CBr)Nc1cnc2ccccc2c1,CI,0
O=C(NCC(Br)=CBr)Nc1cnc2ccccc2c1,CI,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CI,0
Cc1c(O)nc2ccccc2c1O,CI,0
O=Nc1cc(S(=O)(=O)O)c2cccnc2c1O,CI,0
Cc1cc(O)nc2cc(N(C)C)ccc12,CI,0
O=C(O)c1cnc2cc(O)ccc2c1O,CI,0
N#Cc1cc2ccccc2nc1SN,CI,0
O=C(O)c1cc2ccccc2nc1O,CI,0
NC(=S)NN=Cc1c(O)nc2ccc(Cl)cc2c1O,CI,0
CCCc1cc2c(O)c(C(=O)OC)cnc2cc1N(CC)CC,CI,0
CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,CI,0
CCOC(=O)CNCc1cc(O)nc2cc(Cl)ccc12,CI,0
O=C(O)c1cc(O)c2cccc(O)c2n1,CI,0
COc1cc(NCCNC(=N)NC#N)c2ncccc2c1,CI,0
Oc1nc2ccccc2c(O)c1O,CI,0
O=NNc1ccc2ccccc2n1.[NaH],CI,0
Oc1cccc2cccnc12,CI,0
CC(C(N)=O)N(C)C(=O)c1cnc2ccccc2c1,CI,0
COc1ccc2nc(O)cc(C)c2c1[N+](=O)[O-],CI,0
N#CC(=Cc1ccnc2ccccc12)C(N)=C(C#N)C#N,CI,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12.Cl,CI,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12.Cl,CI,0
COc1cc(OC)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0
CNc1ccc2nc(O)ccc2c1[N+](=O)[O-],CI,0
CC(=O)N(C)c1ccc2ncccc2c1[N+](=O)[O-],CI,0
CNc1ccc2ncccc2c1[N+](=O)[O-],CI,0
Cc1cc(C)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0
Cl.O=[N+]([O-])c1cccc2nccc(NCCCO)c12,CI,0
COc1ccc([N+](=O)[O-])c2c(NCC(O)CO)ccnc12.Cl,CI,0
C[N+](C)(O)CCCNc1ccnc2cccc([N+](=O)[O-])c12.Cl.[Cl-],CI,0
Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)O)ccnc12.Cl.[Cl-],CI,0
CCc1ccc2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0
CN(C)CCOc1ccc([N+](=O)[O-])c2cccnc12.Cl,CI,0
Cl.O=[N+]([O-])c1cccc2nccc(NCC(O)CO)c12,CI,0
Cc1nc2c(C)ccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C.Cl,CI,0
Cc1nc2cccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C.Cl,CI,0
CC=CC(=O)Oc1cccc2cccnc12.Cl,CI,0
CCOc1cccc2cccnc12,CI,0
CN(C)CCCNc1ccnc2cc([N+](=O)[O-])ccc12.Cl,CI,0
Cc1c([N+](=O)[O-])ccc2c(NCCCN(C)C)ccnc12.Cl,CI,0
Cc1nc2cc([N+](=O)[O-])ccc2c(NCCCN(C)C)c1C.Cl,CI,0
Cl.NC(=O)c1cnc2cc(O)c(O)cc2c1,CI,0
O=C(O)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH],CI,0
OC(Cc1ccc2ccccc2n1)(C(F)(F)Cl)C(F)(F)Cl,CI,0
OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(=Cc1ccnc2ccccc12)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(C#N)=Cc1ccnc2ccccc12,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccnc2ccccc12,CI,0
CCCCCc1c(CCCC)c(O)nc2cc(CNCC(OC)OC)ccc12,CI,0
CC(=O)OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F,CI,0
CCC(CCCN)Nc1cc(OC)cc2cccnc12.O=P(O)(O)O,CI,0
CCC(CCCN)Nc1cc(OC)cc2c(C)ccnc12.O=P(O)(O)O,CI,0
COc1cc(N=CN(C)C)c2ncccc2c1,CI,0
[N-]=[N+]=Nc1c([N+](=O)[O-])c(Cl)nc2ccccc12,CI,0
COc1c(Cl)nc2ccccc2c1N=[N+]=[N-],CI,0
[N-]=[N+]=Nc1nc2ccccc2c(N=[N+]=[N-])c1Cl,CI,0
CCOC(=O)c1c(Cl)nc2ccccc2c1N=[N+]=[N-],CI,0
N#Cc1c(Cl)nc2ccccc2c1N=[N+]=[N-],CI,0
[N-]=[N+]=Nc1c(Cl)c(Cl)nc2ccccc12,CI,0
Cc1ccc([N+](=O)[O-])c2c(NCC(O)CO)ccnc12.Cl,CI,0
COc1ccc2nc(C(N)=CC#N)ccc2c1,CI,0
Cc1nc2ccc(Cl)cc2c(Cl)c1CCCl,CI,0
Cc1nc2c(Cl)cc(Cl)cc2c(Cl)c1CCCl,CI,0
COc1cc(OC)c2nc(C)c(CCCl)c(Cl)c2c1,CI,0
O=[N+]([O-])c1cc(Cl)cc2cc(Br)cnc12,CI,0
O=[N+]([O-])c1cc(Br)cc2cc(Cl)cnc12,CI,0
Oc1cc(F)cc2cccnc12,CI,0
Oc1c(Cl)ccc2cccnc12,CI,0
Oc1c(Br)ccc2cccnc12,CI,0
Oc1cc(Cl)cc2cccnc12,CI,0
Oc1cc(Br)cc2cccnc12,CI,0
Oc1cccc2c(Cl)ccnc12,CI,0
Oc1cccc2c(Br)ccnc12,CI,0
Oc1cccc2cc(Cl)cnc12,CI,0
Oc1cccc2cc(Br)cnc12,CI,0
Oc1cccc2ccc(Br)nc12,CI,0
O=[N+]([O-])c1cc(Cl)cc2cc(Cl)cnc12,CI,0
Nc1cccc2cc(Cl)cnc12,CI,0
Nc1cc(Cl)cc2cc(Cl)cnc12,CI,0
Oc1cc(Cl)cc2cc(Cl)cnc12,CI,0
Oc1cc(Br)cc2cc(Br)cnc12,CI,0
Oc1cc(Cl)cc2cc(Br)cnc12,CI,0
Oc1cc(Br)cc2cc(Cl)cnc12,CI,0
CCCc1c(O)nc2ccccc2c1O,CI,0
C=CCc1c(O)nc2ccccc2c1O,CI,0
O=C(NCCO)c1c(O)nc2ccccc2c1O,CI,0
O=C(NCCCCl)c1c(O)nc2ccccc2c1O,CI,0
CN(C)CCCNC(=O)c1c(O)nc2ccccc2c1O.Cl,CI,0
CCC[N+](C)(C)CCCNC(=O)c1c(O)nc2ccccc2c1O.[Br-],CI,0
CCNC(=O)c1c(O)nc2ccccc2c1O,CI,0
Cc1cc(O)nc2cc(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C)ccc12,CI,0
[N-]=[N+]=Nc1cc(O)nc2ccccc12,CI,0
CC(C=O)=NNc1cc(C)c2ccccc2n1,CI,0
COc1ccc2c(C)cc(NN=C(C)C=O)nc2c1,CI,0
N#Cc1c(O)nc2ccccc2c1O,CI,0
Oc1cnc2c(O)cccc2c1,CI,0
Cc1cc2c(C)cc(O)nc2cc1N,CI,0
CC(C)c1cc(O)nc2cc(N)ccc12,CI,0
Cc1c(O)nc2cc(O)ccc2c1C,CI,0
O=S(=O)(O)c1ccc(O)c2ncc(Cl)cc12,CI,0
O=S(=O)(O)c1c(Cl)cc(O)c2ncccc12,CI,0
O=S(=O)(O)c1cc(Cl)c(O)c2ncc(Cl)cc12,CI,0
O=S(=O)(O)c1c(Cl)c(Cl)c(O)c2ncccc12,CI,0
Sc1cccc2c(S)cccc12,CI,0
O=Nc1ccc2ccccc2c1O,CI,0
O=C(CCl)Nc1cccc2ccccc12,CI,0
O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)ccc2c1,CI,0
O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1,CI,0
CC(=O)Nc1cccc2cc(S(=O)(=O)O)ccc12,CI,0
CC(=O)Nc1ccc(N)c2cc(S(=O)(=O)O)ccc12,CI,0
O=C(O)c1cc2ccccc2c(S(=O)(=O)O)c1O,CI,0
O=C(O)c1cc2cccc(S(=O)(=O)O)c2cc1O,CI,0
O=C(O)c1cc2cccc(O)c2cc1O,CI,0
CCC(=O)c1c(CC)ccc2ccccc12,CI,0
Oc1ccc2ccccc2c1Br,CI,0
O=S(=O)(O)c1cc2cc(S(=O)(=O)O)c(O)cc2cc1O,CI,0
O=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O,CI,0
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12,CI,0
N#CCCN(CCC#N)Cc1c(O)c(O)c(CN(CCC#N)CCC#N)c2ccccc12,CM,1
CNCc1c(S)ccc2ccccc12,CI,0
CC(C)NCC(O)COc1cccc2ccccc12,CI,0
CCOC(=O)C(=Cc1cccc2ccccc12)P(=O)(OCC)OCC,CI,0
CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12,CI,0
N#CCCN(CCC#N)C(=O)Nc1cccc2ccccc12,CI,0
COc1ccc2ccccc2c1Br,CI,0
COc1cc2ccc(C(=O)O)cc2cc1OC,CI,0
COc1cc2ccc(C(C)=NOC(C)=O)cc2cc1OC,CI,0
COc1cc2ccc(CC(N)=O)cc2cc1OC,CI,0
CNC(=S)Nc1ccc(OC)c2ccccc12,CI,0
CNC(=Nc1ccc(OC)c2ccccc12)SC,CI,0
O=Nc1cc(S(=O)(=O)O)c2ccccc2c1O,CI,0
O=C(NCC(Br)=CBr)Nc1cccc2ccccc12,CI,0
CC(C)[N+](C)(C)CC(O)COc1cccc2ccccc12,CI,0
CC(=O)Oc1cc(C)c(Cl)c2c(OC(C)=O)cc(C(C)=O)c(O)c12,CI,0
Brc1c(C(Br)Br)ccc2ccccc12,CI,0
COC(=O)c1cccc2cccc(C(=O)N(C)CCN(C)C)c12,CI,0
O=C(O)C(=C=Cc1cccc2ccccc12)C(=O)O,CI,0
COC(=O)C(=O)C(C#N)c1cccc2ccccc12,CI,0
CN(C)C(=S)NC(=S)Nc1ccc2ccccc2c1,CI,0
O=S(=O)(CC#CCO)c1ccc2ccccc2c1,CI,0
O=S(=O)(CC#CCO)c1cccc2ccccc12,CI,0
COC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1,CI,0
CCOC(=O)c1cc(OC(=O)CC)c2c(OC)ccc(OC)c2c1,CI,0
CC(=O)Nc1ccc(SC#N)c2c(NC(C)=O)cccc12,CI,0
CCN(CC)C(=O)c1cccc2c(OC)ccc(OC)c12,CI,0
CCN(CC)C(=O)c1cccc2cccc(OC)c12,CI,0
O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2ccccc2cc1O,CI,0
COc1cc2ccc(CC(=O)O)cc2cc1OC,CI,0
COc1cc2ccc(CC#N)cc2cc1OC,CI,0
CN(C)c1cccc2c(S(=O)(=O)NCC(=O)O)cccc12,CI,0
O=C(O)CCNS(=O)(=O)c1ccc2ccccc2c1,CI,0
O=C(O)CCCNS(=O)(=O)c1ccc2ccccc2c1,CI,0
CN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1,CI,0
CC(C)C(=O)NC(C)C(=O)N(Cc1ccc2ccccc2c1)N=O,CI,0
CCCNC(=O)c1cc2ccccc2cc1C(=O)OC,CI,0
CCOC(=O)c1cc(OC(C)=O)c2ccccc2c1,CI,0
CCCOC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1,CM,1
C=C(CCCC(C)OC(=O)NC(C)c1cccc2ccccc12)[Si](C)(C)C,CI,0
NNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH],CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc2ccccc12,CI,0
CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc2ccccc2c1,CI,0
CNS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
CCOC(=O)C(=O)C(CCC(=O)c1ccc2ccccc2c1O)C(=O)OCC,CI,0
CS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
COc1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,CI,0
CN(C)Cc1c(O)ccc2ccccc12,CI,0
NC(=O)c1ccc2cc(O)c(O)cc2c1,CI,0
CCOC(=O)C(=Cc1ccc2ccccc2c1)P(=O)(OCC)OCC,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc2ccccc2c1,CI,0
N#CC=Cc1ccc2ccccc2c1,CI,0
COc1ccc(OC)c2c(C(C)=O)cccc12,CI,0
CSC(=N)Nc1cccc2ccccc12.I,CI,0
CCOC(CN(C)C(=S)Nc1cccc2ccccc12)OCC,CI,0
CCOC(CN(C)C(=O)Nc1cccc2ccccc12)OCC,CI,0
COC(CN(C)C(=S)Nc1cccc2ccccc12)OC,CI,0
N#CC(=CNC(=S)C(N)=S)C(=O)c1ccc2ccccc2c1,CI,0
N#CC(=CNC(N)=S)C(=O)c1ccc2ccccc2c1,CI,0
CC(=O)NNC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1,CI,0
C=C(C)CNC(=S)N(N)c1ccc2ccccc2c1,CI,0
COc1cc(Br)c(OC)c2c(OC)cc(C)cc12,CI,0
COc1ccc(OC)c2c(OC)cc(C)cc12,CI,0
COc1cc(C)cc2ccc(Br)c(O)c12,CI,0
COc1cc(C)c(Br)c2ccc(Br)c(O)c12,CI,0
CCN(CC)C(=O)Oc1c(Br)ccc2cc(C)cc(OC)c12,CI,0
CC(=O)Oc1ccc2ccccc2c1Br,CI,0
O=S(=O)(Oc1cccc2ccccc12)C(F)(F)F,CI,0
C[Sn](C)(C)c1cccc2ccccc12,CI,0
COc1ccc(CNC(=N)N)c2ccccc12.O=S(=O)(O)O,CI,0
N#CC(C#N)=Cc1c(O)ccc2ccccc12,CI,0
I.N=C(NN)Nc1cccc2ccccc12,CI,0
O=CNNC(=O)Nc1cccc2ccccc12,CI,0
S=C(NCC(Br)=CBr)Nc1cccc2ccccc12,CI,0
C[N+](C)(C)CCOP(=O)([O-])OCCNC(=O)c1ccc2ccccc2c1,CI,0
COc1ccc2cc(C(=O)O)ccc2c1OC,CI,0
CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12,CI,0
CN(C)c1cccc2c(S(=O)(=O)NCCCNCCN)cccc12,CI,0
CN(C)c1cccc2c([SH](=O)=O)cccc12.[NaH],CI,0
COC(=O)c1ccc2c(O)c(O)ccc2c1,CI,0
CS(=O)(=O)Nc1ccc2ccccc2c1,CI,0
Cl.Nc1c(O)c(C(=O)O)cc2ccccc12,CI,0
O=Nc1c(O)c(N=O)c2ccccc2c1O,CI,0
O=Nc1c(O)ccc2ccccc12,CI,0
O=Nc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.[NaH],CI,0
O=C(O)C(Oc1ccc2cc(Br)ccc2c1)C(=O)O,CI,0
COc1cc2cccc(N)c2cc1OC,CI,0
CC(=NNC(=N)SB(F)F)c1ccc2ccccc2c1,CI,0
NCC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12.[NaH],CI,0
Cl.NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12,CI,0
COC(N)=C(C#N)N=Cc1ccc2ccccc2c1,CI,0
O=C(NCCCCN(CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)C(F)(F)F,CI,0
NCCCCN(CCCN)Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F,CI,0
COc1c(C)c(CC=C(C)CCCCO)c(OC)c2ccccc12,CI,0
COc1c(C)c(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)c(OC)c2ccccc12,CI,0
COc1c(C)c(CC=C(C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c(OC)c2ccccc12,CI,0
COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c2ccccc12,CI,0
C#CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1,CI,0
COC(=O)c1ccc2cc(O)ccc2c1,CI,0
COC(=O)c1ccc2cc(O)c(O)cc2c1,CI,0
O=C(O)c1ccc2c(O)c(O)ccc2c1,CI,0
O=C(O)c1ccc2cc(O)ccc2c1,CI,0
CC(=O)NCCCCN(CCCNC(C)=O)C(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12,CI,0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CI,0
COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O)cc1,CI,0
O=c1cc(-c2ccccc2)oc2ccccc12,CI,0
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CI,0
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,CI,0
O=c1cc(-c2ccccc2)oc2ccc(O)cc12,CI,0
O=c1cc(-c2ccccc2)oc2cccc(O)c12,CI,0
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1,CI,0
COc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2OC)cc1,CI,0
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(OC)c1OC,CM,1
COc1ccc(-c2cc(=O)c3c(OC)c(O)c(OC)cc3o2)cc1,CI,0
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1,CI,0
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,CI,0
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(OC)c1O,CI,0
O=c1c(O)c(-c2ccccc2)oc2ccccc12,CI,0
CC(=O)Oc1cc(O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1,CI,0
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,CI,0
Nc1c(-c2ccccc2)oc2ccccc2c1=O,CI,0
COc1ccc(-c2cc(=O)c3ccccc3o2)c(OC)c1OC,CI,0
COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1OC,CI,0
COc1ccccc1-c1cc(=O)c2ccc(OC)c(OC)c2o1,CI,0
COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC,CI,0
COc1c(OC)c(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c(OC)c1OC,CI,0
CS(=O)(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O,CI,0
COc1ccc(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c1,CI,0
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c(OC)c1,CI,0
COc1cc(OC)cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c1,CI,0
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,CI,0
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,CI,0
COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1,CI,0
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,CI,0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CI,0
COc1cc(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,CI,0
COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1OC,CI,0
O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CI,0
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,CI,0
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC,CI,0
COc1ccc(-c2oc3cc(OC)ccc3c(=O)c2O)cc1,CI,0
Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1,CI,0
O=c1c(O)c(-c2ccc(Cl)cc2)oc2ccccc12,CI,0
COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,CI,0
COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1OC,CI,0
COc1ccc2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,CI,0
COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C,CI,0
CC(=O)c1c(O)cc(O)cc1-c1cc(=O)c2c(O)ccc(C(C)=O)c2o1,CI,0
O=c1cc(-c2c(O)cc(O)cc2O)oc2cc(O)cc(O)c12,CI,0
COc1ccc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc1,CM,1
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1O,CI,0
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,CI,0
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,CI,0
COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1OC,CI,0
COc1ccc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc1OC,CI,0
COc1cc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc(OC)c1OC,CM,1
COc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1,CI,0
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC,CI,0
COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1,CI,0
COc1cc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc(OC)c1OC,CI,0
COc1cc(-c2cc(=O)c3ccc(O)cc3o2)cc(OC)c1OC,CI,0
O=c1cc(-c2ccccc2)oc2c(O)c(O)cc(O)c12,CM,1
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC,CI,0
COc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1OC,CI,0
COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c(O)c1C=CC(C)C,CI,0
CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12,CI,0
N=C(N)SCc1cccc2c(=O)cc(-c3ccccc3)oc12,CI,0
COc1cc(-c2cc(=O)c3ccccc3o2)cc(OC)c1OC,CI,0
Cc1cc2c(=O)cc(-c3ccccc3Cl)oc2c(C#N)c1C,CI,0
COc1ccc2c(=O)c(O)c(-c3ccccc3)oc2c1,CI,0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,CI,0
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,CI,0
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CI,0
Cc1cc2c(=O)cc(-c3ccccc3Cl)oc2c(C(=O)O)c1C,CI,0
COc1cc(-c2oc3c(OC)cc(OC)c(O)c3c(=O)c2OC)cc(OC)c1OC,CI,0
Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1N,CI,0
Cc1cc2c(=O)cc(-c3ccc(Cl)cc3Cl)oc2c(C(=O)O)c1C,CI,0
Cc1cc2c(=O)cc(-c3ccc(Cl)c(Cl)c3)oc2c(C(=O)O)c1C,CI,0
Cc1cc2c(=O)cc(-c3ccc(Cl)cc3)oc2c(C(=O)O)c1C,CI,0
Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1[N+](=O)[O-],CI,0
Cc1cc2c(=O)cc(-c3ccc(F)cc3)oc2c(C(=O)O)c1C,CI,0
Cc1cc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c(C(=O)O)c1C,CI,0
CC(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O,CI,0
Cc1cc2c(=O)cc(-c3ccc(O)cc3)oc2c(C(=O)O)c1C,CI,0
Cc1cc2c(=O)cc(-c3ccc(C(=O)O)cc3)oc2c(C(=O)O)c1C,CI,0
Cc1ccccc1-c1cc(=O)c2cc(C)c(C)c(C(=O)O)c2o1,CI,0
Cc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1,CI,0
Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1C,CI,0
COc1cc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc(OC)c1OC,CI,0
Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1,CI,0
COc1ccccc1-c1cc(=O)c2cc(C)c(C)c(C(=O)O)c2o1,CI,0
COc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1,CI,0
Cc1cc2c(=O)cc(-c3ccc(C(=O)O)cc3)oc2c(C(N)=O)c1C,CI,0
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O,CI,0
COc1cc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)ccc1O,CM,1
COc1c(C)c(O)c2c(=O)cc(-c3ccccc3)oc2c1C,CI,0
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1C,CI,0
CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1,CI,0
COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc2c1=O,CI,0
CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1,CI,0
COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1O,CI,0
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O,CI,0
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,CI,0
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CI,0
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,CI,0
O=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)cc2OS(=O)(=O)O)oc2cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c12.[KH],CI,0
O=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c2)oc2cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c12.[KH],CI,0
CC(C)(C)c1cc(S(=O)(=O)O)c2oc(-c3ccccc3)cc(=O)c2c1,CI,0
COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1,CI,0
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,CI,0
COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,CI,0
COc1c(-c2ccc(F)cc2)oc2c(CC(=O)O)cccc2c1=O,CI,0
COc1ccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2OC)cc1,CI,0
COc1c(-c2ccccc2)oc2c(CP(=O)(OC)OC)cccc2c1=O,CI,0
O=c1c(O)c(-c2ccccc2)oc2c(CP(=O)(O)O)cccc12,CI,0
COc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC,CI,0
COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC,CI,0
NS(=O)(=O)c1cc(O)nc(O)n1,CI,0
CS(=O)(=O)c1cc(O)nc(O)n1,CI,0
CCS(=O)(=O)c1cc(O)nc(O)n1,CI,0
Oc1ncc(S)c(O)n1,CI,0
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,CI,0
O=S(=O)(O)Nc1cnc(O)nc1O,CI,0
Cc1nc(Cl)c(Cl)c(Cl)n1,CI,0
Cc1nc(O)nc(O)c1Cl,CI,0
OCc1nc(O)cc(O)n1,CI,0
Clc1ncc(Cl)c(Cl)n1,CI,0
CSc1cc(SC)ncn1,CI,0
Nc1c(Cl)ncnc1NCCO,CI,0
CCOC(Cc1c(N)nc(S)nc1O)OCC,CI,0
CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)nc(O)nc1O,CI,0
NNc1ncnc(NN)c1Br,CI,0
Nc1ncc(N)c(N)n1,CI,0
CCOC(CCc1c(C)nc(NC(C)=O)nc1O)OCC,CI,0
Nc1c(O)nc(O)nc1S(=O)(=O)O,CI,0
Cc1nc(O)nc(O)c1N(CCF)CCCl,CI,0
CC(CC(C)C)=NNc1nc(C)cc(O)n1,CI,0
Nc1nc(O)c(N)c(C(=O)O)n1,CI,0
CCN(CC)c1nc(Cl)nc(C(N)=O)c1N,CI,0
Nc1nc(N)c(N=O)c(O)n1,CI,0
Nc1ncnc(N)c1N=O,CI,0
CC(=O)Nc1nc(C)c(CCC#N)c(SC(=N)N)n1,CI,0
Cc1nc(N)nc(S)c1CCC(=O)O,CI,0
CN(C)Cc1nc(O)nc(O)c1O,CI,0
Nc1nc(O)ncc1F,CI,0
CNc1nc(N)nc(O)c1N=O,CI,0
CCCc1cc(O)nc(SCC(=O)O)n1,CI,0
Nc1nc(S)nc(O)c1N=O,CI,0
CC(=O)Nc1nc(NC(C)=O)c(N=O)c(NC(C)=O)n1,CI,0
CN(C)c1nc(N)c(N=O)c(O)n1,CI,0
CC(=O)Nc1nc(N)nc(NC(C)=O)c1N=O,CI,0
CSc1nc(O)c(N)c(C(N)=O)n1,CI,0
O=CC(CO)OC(C=O)c1cnc(O)nc1O,CI,0
O=Nc1cnc(O)nc1O,CI,0
Cc1ncc(N)c(C(=O)O)n1,CI,0
CSc1nc(N)cc(C(F)(F)F)n1,CI,0
Cc1nc(N)c(N=O)c(O)n1,CI,0
COC(=O)c1cnc(O)nc1O,CI,0
O=P(O)(O)c1cc(O)nc(O)n1,CI,0
O=C(O)c1cc(O)nc(O)n1.[NaH],CI,0
COc1nc(N)c(N(C(C)=O)C(C)=O)c(O)n1,CI,0
COC(=O)c1nc(NC#N)nc(O)c1C,CI,0
CCCCCCCCCCCCCCCCc1c(O)nc(S)nc1C(=O)OC,CI,0
CCCCCCCCCCCCCCCCc1c(O)nc(NN)nc1C(=O)OC,CI,0
CCCCCCCCCCCCCCCCc1c(O)nc(NC#N)nc1C(=O)OC,CI,0
CCOC(=O)NC(=O)c1cnc(O)nc1O,CI,0
Nc1nc(O)c(N=O)c(NCCO)n1,CI,0
CN(C)C=Nc1ccnc(O)n1.[NaH],CI,0
CCOC(=O)CSc1ccnc(O)n1,CI,0
CC(=O)Nc1nc(O)nc(O)c1N(C(C)=O)C(C)=O,CI,0
CN(CCO)c1nc(N)cc(O)n1,CI,0
OC(c1cc(C(O)(C(F)(F)F)C(F)(F)F)ncn1)(C(F)(F)F)C(F)(F)F,CI,0
CSc1nc(C)c(CCCl)c(Cl)n1,CI,0
CSc1nc(C)c(CCOC(C)=O)c(Cl)n1,CI,0
O=P(O)(O)CCON=Cc1cnc(O)nc1O.[NaH],CI,0
O=Cc1c(O)nc(O)nc1C(=O)O,CI,0
O=C(O)Cc1nc(O)nc(O)c1CCl,CI,0
O=C(O)c1nc(O)nc(O)c1I,CI,0
Cc1c(O)nc(O)nc1C(=O)O,CI,0
Cc1nc(O)nc(O)c1CO,CI,0
O=Cc1nc(O)nc(O)c1CO,CI,0
CSc1cc(O)nc(O)n1,CI,0
Oc1ncc(CCl)c(O)n1,CI,0
O=C(O)c1nc(O)nc(O)c1C(=O)O,CI,0
Cc1nc(O)nc(O)c1C(=O)O,CI,0
N#Cc1cnc(O)nc1O,CI,0
O=Cc1nc(O)nc(O)c1CCl,CI,0
O=Cc1nc(O)nc(O)c1C(=O)O,CI,0
Cc1nc(S)nc(O)c1CCl,CI,0
CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F,CM,1
CCOC(=O)NC(Nc1ncccn1)(C(=O)OCC)C(F)(F)F,CI,0
CC(C)(CO)CNc1cc(Cl)nc(N)n1,CI,0
CC(C)(CO)CNc1nc(N)nc(Cl)c1C=O,CI,0
CC(C)(CO)CNc1nc(N)nc(Cl)c1C=NO,CI,0
CCC(CC)(CO)CNc1cc(Cl)nc(N)n1,CI,0
CC(C)(CO)CNc1nc(N)nc(Cl)c1N,CI,0
Nc1nc(O)cc(NCCCO)n1,CI,0
CC(C)(CO)CNc1cc(O)nc(N)n1,CI,0
CCOP(=O)(CCCC(O)CNc1cc(Cl)nc(N)n1)OCC,CI,0
CN(C)Nc1cc(O)nc(O)n1,CI,0
CN(N)c1cc(O)nc(O)n1,CI,0
CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N,CI,0
O=Nc1c(O)nc(S)nc1O,CI,0
Nc1nc(O)nc(O)c1N=O,CI,0
Nc1nc(S)nc(N)c1N=O,CM,1
Nc1nc(O)nc(N)c1N=O,CI,0
N.Nc1nc(S)nc(O)c1N=O,CI,0
Nc1nc(N)c(N=O)c(N)n1,CI,0
C#CCCCOc1ncccn1,CI,0
C=CC(O)C#Cc1cnc(OC)nc1OC,CI,0
C=CC(=O)C#Cc1cnc(OC)nc1OC,CI,0
CC=CC(O)C#Cc1cnc(OC)nc1OC,CI,0
CC=CC(=O)C#Cc1cnc(OC)nc1OC,CI,0
Nc1cc(O)nc(N)n1,CI,0
Nc1cc(N)nc(S)n1,CI,0
CCN(CC)CCOC(=O)c1nc(O)nc(O)c1N,CI,0
CCCCCCOC(=O)c1nc(O)nc(O)c1N,CI,0
CC(=O)Nc1c(O)nc(O)nc1C(=O)O,CI,0
Nc1c(S)nc(O)nc1C(=O)O,CI,0
Nc1nc(O)c(C=O)c(NCCOCP(=O)(O)O)n1,CI,0
Nc1nc(N)c(NC(=O)CCCO)c(O)n1,CI,0
Nc1nc(O)c(N)c(NCCOCP(=O)(O)O)n1,CI,0
OCCCCCNc1cc(O)nc(O)n1,CI,0
[Cl-].[Pt].[S-]c1ncccn1,CI,0
Nc1cc(O)nc([S-])n1.[Cl-].[Pt],CI,0
[Pd+2].[S-]c1ncccn1,CI,0
Nc1cc(O)nc([S-])n1.[Pd+2],CI,0
Cc1cc(C)nc(NC(P(=O)(O)O)P(=O)(O)O)n1.[NaH],CI,0
Cc1cc(C)nc(NCCC(O)(P(=O)(O)O)P(=O)(O)O)n1.[NaH],CI,0
Nc1c2ccccc2nc2ccccc12,CI,0
CCN(CC)CC(O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12,CI,0
OCCNCCNc1c2ccccc2nc2cc(Cl)ccc12,CI,0
Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,CI,0
CCN(CC)CCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12,CI,0
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2c(Cl)cc(Cl)cc12,CI,0
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1,CI,0
CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,CI,0
CCSc1ccc([N+](=O)[O-])c2c(SCC)c3ccccc3nc12,CI,0
CCN(CC)CCCC(C)Nc1c2cc(OC)cc(C)c2nc2c(C)c(Cl)ccc12.Cl,CI,0
CCN(CC)CCSc1c2ccccc2nc2c(OC)ccc(OC)c12,CI,0
CCSc1c2ccccc2nc2c(OC)ccc(OC)c12,CI,0
COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1.Cl,CI,0
CCN(CCCl)CCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,CI,0
N=C(N)NCCCC(Nc1c2ccccc2nc2ccccc12)C(=O)O,CI,0
NC(=O)CCC(Nc1c2ccccc2nc2ccccc12)C(=O)O,CI,0
O=C(O)C(CS)Nc1c2ccccc2nc2ccccc12,CI,0
CC(C)C(Nc1c2ccccc2nc2ccccc12)C(=O)O,CI,0
O=C(O)CNc1c2ccccc2nc2ccccc12,CI,0
N=C(N)NCCCC(NCc1c2ccccc2nc2ccccc12)C(=O)O,CI,0
CC(C)C(NCc1c2ccccc2nc2ccccc12)C(=O)O,CI,0
O=C(O)C(CS)NCc1c2ccccc2nc2ccccc12,CI,0
O=C(O)CNCc1c2ccccc2nc2ccccc12,CI,0
CCN(CCCl)CCNc1c2ccccc2nc2ccc(OC)cc12.Cl,CI,0
COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1.Cl,CI,0
COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1.Cl,CI,0
COc1ccc2nc3ccccc3c(NCCCCCCN(CCCl)CCCl)c2c1.Cl,CI,0
COc1ccc2nc3ccccc3c(NCCCN(CCCl)CCCl)c2c1.Cl,CI,0
CCN(CCCl)CCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,CI,0
COc1ccc2nc3ccccc3c(NCCCCCN(C)CCCl)c2c1.Cl,CI,0
CCN(CCCl)CCCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,CI,0
COc1ccc2nc3ccccc3c(NCCCCCN(CCCl)CCCl)c2c1.Cl,CI,0
C[N+](C)([O-])CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,CI,0
Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12.Cl,CI,0
Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl,CI,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl,CI,0
COc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)O)c3ccccc3nc12.Cl.[Cl-],CI,0
Cc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(C)c3nc12.Cl,CI,0
Cc1cccc2c(NCCC[N+](C)(C)O)c3c([N+](=O)[O-])ccc(C)c3nc12.Cl.[Cl-],CI,0
CN(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,CI,0
C[N+](C)(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl.[Cl-],CI,0
COc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(OC)c3nc12.Cl,CI,0
COc1cccc2c(NCCC[N+](C)(C)O)c3c([N+](=O)[O-])ccc(OC)c3nc12.Cl.[Cl-],CI,0
COc1cc(OC)c2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0
COc1cc(OC)c2nc3ccccc3c(NCCC[N+](C)(C)O)c2c1[N+](=O)[O-].Cl.[Cl-],CI,0
NC(=O)CSc1c2cc(O)ccc2nc2ccc(O)cc12,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCO)c2c1,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCC(=O)O)c2c1,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(C)C)c2c1,CI,0
CCN(CC)CCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,CI,0
NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0
COc1ccc2nc3ccccc3c(NCCC[N+](C)(C)O)c2c1[N+](=O)[O-].Cl.[Cl-],CI,0
CN=CN(C)c1c2ccccc2nc2ccccc12,CI,0
O=C(NCC(Cl)=CCl)Nc1c2ccccc2nc2ccccc12,CI,0
CN(C)C=Nc1c2ccccc2nc2ccccc12,CI,0
CC(=Nc1c2ccccc2nc2ccccc12)N(C)C,CI,0
CC(C)N(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O,CI,0
CC(C)[N+]([O-])(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O,CI,0
C[N+](C)(O)CCNC(=O)c1cccc2cc3ccccc3nc12.Cl.[Cl-],CI,0
CC(C)(CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)[N+](C)(C)[O-].Cl,CI,0
CC(CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
CC(C)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCNCCO)c12,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(CCO)CCO)c2c1,CI,0
CCCCCCNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCO)c2c1,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCN(C)C)c2c1,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCO)c2c1,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NC(C)CN(C)C)c2c1,CI,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCCCC(=O)O)c2c1,CI,0
CNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCCCN(C)C)c2c1,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCO)c2c1,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(CCO)CCO)c2c1,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(C)C)c2c1,CI,0
COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
CN(C)CCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl,CI,0
COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl,CI,0
CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3ccccc3nc12.Cl,CI,0
Cc1cccc2c(NCCN(C)C)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl,CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12.Cl,CI,0
CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12.Cl,CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCCNCCN)c3nc12.Cl,CI,0
O=C(NCCCCCCO)c1cccc2cc3ccccc3nc12,CI,0
COCCN(CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)CCOC.Cl,CI,0
Cc1c2ccc(Cl)cc2nc2ccc(OCCCCCCNC(=O)CCCNC(=N)N)cc12.Cl,CI,0
Cc1c2ccc(Cl)cc2nc2ccc(OCCCCCCNC(=O)C(N)CCCNC(=N)N)cc12.Cl,CI,0
Cc1c2ccc(Cl)cc2nc2ccc(OCCNC(=O)C(N)CCCNC(=N)N)cc12.Cl,CI,0
Cc1c2ccc(Cl)cc2nc2ccc(OCCNC(=O)C(CCCNC(=N)N)NC(=O)OC(C)(C)C)cc12.Cl,CI,0
CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0
CCS(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0
CCS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0
ClCCSc1c2ccccc2nc2ccccc12,CI,0
O=S(CCCl)c1c2ccccc2nc2ccccc12,CI,0
COc1ccc2nc3ccc(OC)cc3c(SCCCl)c2c1,CI,0
COc1ccc2nc3ccc(OC)cc3c(S(=O)CCCl)c2c1,CI,0
CCN(CC)CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0
CCN(CC)CCS(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0
COc1ccc2nc3ccc(OC)cc3c(SCCO)c2c1,CI,0
C=CS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0
CCN(CC)CC(C)=C(c1ccccc1)c1ccccc1S(N)(=O)=O,CI,0
CCOC(=O)C(=C=C=C(c1ccccc1)c1ccccc1)C(=O)OCC,CI,0
O=[N+]([O-])C(=C(c1ccccc1)c1ccccc1)[N+](=O)[O-],CI,0
O=[N+]([O-])C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=C[N+](=O)[O-])c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C(=C(C#N)C#N)c2ccc(OC)cc2)cc1,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N,CM,1
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CA,1
CCCCCC=C(c1cc(Br)cc(C(=O)OC)c1OC)c1cc(Br)cc(C(=O)OC)c1OC,CI,0
CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1,CI,0
CCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CC(=O)C(=CC=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C(C)=O,CI,0
CCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N,CM,1
CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N,CI,0
CCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N,CM,1
CCCCCCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N,CI,0
CCCCCCCCCCCCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N,CI,0
CCCCCCCCCCCCCCCC=C(c1cc(Br)cc(C(=O)OC)c1OC)c1cc(Br)cc(C(=O)OC)c1OC,CI,0
CCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CI,0
CCCCCCCCCC=C(c1cc(Br)cc(C(=O)O)c1O)c1cc(Br)cc(C(=O)O)c1O.N,CI,0
CCCCCCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
CCCCCC=C(c1cc(Br)cc(C(=O)O)c1O)c1cc(Br)cc(C(=O)O)c1O.N,CM,1
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)NC)c1)c1cc(Cl)c(OC)c(C(=O)NC)c1,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OCC)c1)c1cc(Cl)c(OC)c(C(=O)OCC)c1,CI,0
CCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CA,1
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OCCC)c1)c1cc(Cl)c(OC)c(C(=O)OCCC)c1,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)N(C)C)c1)c1cc(Cl)c(OC)c(C(=O)N(C)C)c1,CI,0
CCCCCCCCCCCCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N,CI,0
CCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
CCCCCCCCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
CCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(C(N)=O)c1)c1cc(Cl)c(OC)c(C(N)=O)c1,CM,1
N.O=C(O)c1cc(C(=CCCBr)c2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O,CM,1
COC(=O)c1cc(C(=CCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CM,1
CCCCCCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N,CM,1
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CA,1
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1,CI,0
COC(=O)c1cc(C(=CCCCCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCC=C(c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(OC)c(S(=O)(=O)N(C)C)c1,CI,0
CCCCCC=C(c1cc(Cl)c(O)c(C(=O)NO)c1)c1cc(Cl)c(O)c(C(=O)NO)c1,CI,0
CCCCCC=C(c1cc(Br)c(OC)c(C(=O)O)c1)c1cc(Br)c(OC)c(C(=O)O)c1,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)NO)c1)c1cc(Cl)c(OC)c(C(=O)NO)c1,CI,0
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCCCCCCCCCCC,CI,0
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCC=CCCCCCCCC,CI,0
CCCCCCCCC=CCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CI,0
CCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CI,0
CCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CI,0
CCCCCC=CCCCC=CCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCCCCCCCCCCC,CI,0
NCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1,CM,1
CCCCCC=C(c1cc(Br)c(OC)c(Br)c1)c1cc(Br)c(OC)c(Br)c1,CI,0
COC(=O)c1cc(C(=CCCO)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
COc1c(Cl)cc(C(=CCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O,CI,0
COC(=O)c1cc(C(=CCCOS(C)(=O)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CM,1
COC(=O)c1cc(C(=CC(=O)OC(C)(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CCCCCC=C(c1cc(I)c(OC)c(C(=O)OC)c1)c1cc(I)c(OC)c(C(=O)OC)c1,CI,0
CCCCCC=C(c1ccc(OC)c(C(=O)OC)c1)c1ccc(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=CCCO)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC,CI,0
C=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
CC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC,CM,1
COC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=CCCN)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC.Cl,CI,0
COC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CA,1
COC(=O)c1cc(C(=CC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)C=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)CCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CA,1
COC(=O)CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=CCCCCO)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COc1c(Cl)cc(C(=CCCCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O,CI,0
COC(=O)c1cc(C(=CCC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)c1cc(C(=CCCCC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)CC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=CCCCC=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)c1cc(C(=CCCCCCl)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CM,1
COC(=O)c1cc(C(=CCCCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CM,1
COC(=O)c1cc(C(=CCCCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CM,1
CCNC(=O)OCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCC=C(c1cc(C)c(OC)c(Br)c1)c1cc(C)c(OC)c(Br)c1,CI,0
CNC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)NC)c1)c1cc(Cl)c(OC)c(C(=O)NC)c1,CI,0
CCCCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(C(=C(Cl)Cl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC,CI,0
CCCCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)CCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1,CA,1
COC(=O)CCCC=C(c1cc(C)c(OC)c(Br)c1)c1cc(C)c(OC)c(Br)c1,CI,0
C=C(c1cc(C(=O)OC)c(OC)c(Br)c1C)c1cc(C(=O)OC)c(OC)c(Br)c1C,CI,0
COC(=O)c1cc(C(=CC=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CA,1
COC(=O)c1cc(C(=CCl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC,CI,0
CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1,CI,0
CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C=O)c1)c1cc(Cl)c(OC)c(C=O)c1,CI,0
COC(=O)CCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1,CM,1
Cn1cnc([N+](=O)[O-])c1S,CI,0
CN(C)N=Nc1nc[nH]c1C(N)=O,CI,0
O=[N+]([O-])c1nc[nH]c1S,CI,0
Cc1ncc([N+](=O)[O-])n1CCO,CI,0
Cc1nc(C(=O)O)c(C(=O)O)[nH]1,CI,0
Cc1ncc([N+](=O)[O-])n1CC(O)CCl,CI,0
CC(C)c1ncc([N+](=O)[O-])n1C,CI,0
Cn1cnc(N)c1S(N)(=O)=O,CI,0
CN(C)S(=O)(=O)c1c(N)ncn1C,CI,0
CNS(=O)(=O)c1c(N)ncn1C,CI,0
CNS(=O)(=O)c1c(NC=O)ncn1C,CI,0
CC(=O)OCCn1c([N+](=O)[O-])cnc1C=[N+]([O-])CCO,CI,0
CCOC(=O)c1nc(SC)n(C)c1C(=O)OCC,CI,0
O=[N+]([O-])c1nccn1CC(O)CO,CI,0
COCC(O)Cn1ccnc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cnc(C=[N+]([O-])CCO)n1CCO,CI,0
O=[N+]([O-])c1nccn1CC(O)CF,CI,0
O=C(Cn1ccnc1[N+](=O)[O-])NCCO,CI,0
O=C(Cn1ccnc1[N+](=O)[O-])N(CCO)CCO,CI,0
Cc1ncc([N+](=O)[O-])n1CCOC(N)=O,CI,0
CNC(=O)OCn1cnc(Cl)c1Cl,CI,0
CC(=NNC(=S)N(C)C)c1ncc[nH]1,CI,0
COC(=O)c1nc[nH]c1O,CI,0
CN.COC(=O)c1ncn(C)c1O,CI,0
COC(=O)c1ncn(C(C(=O)OC)C(=O)OC)c1O,CI,0
CN.CNC(=O)C(C(=O)NC)n1cnc(C(=O)OC)c1O,CI,0
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC.Cl,CI,0
CN(C)C=Cc1c([N+](=O)[O-])ncn1C,CI,0
CCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC.Cl,CI,0
CCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C.Cl,CI,0
CCCCCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC.Cl,CI,0
CCCCCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C.Cl,CI,0
Cl.NC(CO)Cc1c[nH]cn1,CI,0
CCCCCCCCCCCCCCCc1nc(C)c[nH]1,CI,0
O=[N+]([O-])c1nccn1COCCO,CI,0
CCOC(=O)CSc1c([N+](=O)[O-])ncn1C,CI,0
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)C(C)CC,CI,0
COC(=CN=Nc1nc(C#N)c(C#N)[nH]1)OC,CI,0
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(N)=O)C(=O)O)C(C)CC,CI,0
COC(=O)C=Cc1c(CC=C(C)C)ncn1C,CI,0
CN(C)CCNC(=O)c1nc([N+](=O)[O-])cn1C.Cl,CI,0
Cc1nc([N+](=O)[O-])cn1CC(=N)N.Cl,CI,0
CCOC(=O)CNC(=O)c1nc[nH]c1N=NN(C)C,CI,0
CCOC(=O)C(NC(=O)c1nc[nH]c1N=NN(C)C)C(C)C,CI,0
CCOC(=O)CC(NC(=O)c1nc[nH]c1N=NN(C)C)C(=O)OCC,CI,0
CCOC(=O)CCC(NC(=O)c1nc[nH]c1N=NN(C)C)C(=O)OCC,CI,0
CCOC(=O)C(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(C)C,CI,0
CCOC(=O)CC(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)OCC,CI,0
CCOC(=O)CCC(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)OCC,CI,0
CC(C)=Nn1cnc(C(=N)C#N)c1N,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O,CI,0
NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O.[Cu],CI,0
CSc1nc(C#N)c(N=CN(C)C)n1C,CI,0
CSc1nc(C#N)c(N)n1C,CI,0
CN(CCCl)CCCn1ccnc1[N+](=O)[O-].Cl,CI,0
COP(=O)(OC)C(=Cc1c[nH]cn1)NC=O,CI,0
CCCCCCNCCc1c[nH]cn1.Cl,CI,0
CC(=O)Nn1cnc(C(=N)C#N)c1N,CI,0
N#Cc1ncn(CCO)c1N,CI,0
CC(=O)Nc1c(C(=N)C#N)ncn1CCO,CI,0
N#CC(=N)c1ncn(CCO)c1NC(=O)C(F)(F)F,CI,0
C[N+]([O-])(CCCl)CCCn1ccnc1[N+](=O)[O-].Cl,CI,0
CCCCCC(=Nc1nc[nH]c1C(N)=O)OCC,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cnc[nH]1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1[nH]cnc1C,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cnc(C)[nH]1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ncc[nH]1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1nccn1C,CI,0
CNC(=O)OCc1nc(N=[N+]=[N-])n(C)c1COC(=O)NC,CI,0
CNC(=O)OCc1cnc([N+](=O)[O-])n1C,CI,0
CCCCCC(=O)Nc1nc[nH]c1C(N)=O,CI,0
NC(=O)c1ncn(CC=CCO)c1N,CI,0
NC(=O)c1ncn(CCCCCO)c1N,CI,0
CC(=O)OCCCCCn1cnc(C(N)=O)c1N,CI,0
CC(=O)OCC=CCn1cnc(C(N)=O)c1N,CI,0
CCOP(=O)(CC=CCn1cnc(C(N)=O)c1N)OCC,CI,0
N#Cc1nc(C#N)c(N)[nH]1,CI,0
CC(=O)Nc1[nH]c(C#N)nc1C#N,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cn(C)cn1,CI,0
Cn1cnc(C=CC#N)c1,CI,0
CN(N)N=Nc1[nH]cnc1[N+](=O)[O-],CI,0
N#CSc1[nH]cnc1C(N)=O,CI,0
NC(=O)NNC(=O)c1nc[nH]c1[N+](=O)[O-],CI,0
CSc1[nH]cnc1C(N)=S,CI,0
NC(=O)c1nc[nH]c1N=NSCC(N)C(=O)O,CI,0
CCOC(=O)c1nc[nH]c1N=NN(C)N,CI,0
CNC(=S)C(=NNc1[nH]cnc1C(N)=O)C(N)=S,CI,0
CN(N)N=Nc1[nH]cnc1C(N)=O,CI,0
CNC(=O)c1nc[nH]c1N=NN(C)N,CI,0
CC(=O)NC(CSN=Nc1[nH]cnc1C(N)=O)C(=O)O,CI,0
O=[N+]([O-])c1ncn(F)c1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cn(F)c([N+](=O)[O-])n1,CI,0
O=[N+]([O-])c1nc(Br)n(F)c1[N+](=O)[O-],CI,0
C#CCNC(Cc1c[nH]cn1)C(=O)O,CI,0
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl,CI,0
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,CI,0
O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1,CI,0
O=CNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=[N+]([O-])c1cccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
N=C(N)NC(=N)Nc1cccc(S(=O)(=O)c2cccc(NC(=N)NC(=N)N)c2)c1,CI,0
O=S(=O)(O)OCCOc1ccc(S(=O)(=O)c2ccc(OCCOS(=O)(=O)O)cc2)cc1,CI,0
O=C(O)C=CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C=CC(=O)O)cc2)cc1,CI,0
COc1ccc(C)cc1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-],CM,1
NC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,CI,0
CC(C)CCN(CCC(C)C)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCC(C)C)CCC(C)C)cc2)cc1,CI,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1,CI,0
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(S)c([N+](=O)[O-])c2)ccc1S,CI,0
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)ccc1N(CCO)CCO,CI,0
O=C=Nc1cccc(S(=O)(=O)c2cccc(N=C=O)c2)c1,CI,0
O=C=Nc1cc(S(=O)(=O)c2ccc(Cl)c(N=C=O)c2)ccc1Cl,CI,0
O=C(O)c1cccc(S(=O)(=O)c2ccccc2)c1,CI,0
COc1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1,CI,0
O=CNc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1,CI,0
CC(=O)Nc1cc(OCC(=O)O)ccc1S(=O)(=O)c1ccc(OCC(=O)O)cc1NC(C)=O,CI,0
CCN(CC)CCOc1ccc(S(=O)(=O)c2ccc(OCCN(CC)CC)cc2)cc1,CI,0
O=C(O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-],CI,0
O=S(=O)(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,CI,0
O=S(=O)(SC(Cl)(Cl)Cl)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)SC(Cl)(Cl)Cl)c2)c1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccc(Cl)cc1,CM,1
CC(C)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CI,0
CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCC)cc2)cc1,CI,0
CCCCCCCCCCN(CCCCCCCCCC)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCCCCCCCCC)CCCCCCCCCC)cc2)cc1,CI,0
CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCCCCCCCCCCC)CCCCCCCCCCCC)cc2)cc1,CI,0
N#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1,CI,0
O=S(=O)(c1ccc(I)cc1)c1ccc(I)cc1,CI,0
CCCCCCN(CCCCCC)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCCCCC)CCCCCC)cc2)cc1,CI,0
CCCCCCN(CCCCCC)C(F)(F)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(F)(F)N(CCCCCC)CCCCCC)cc2)cc1,CI,0
[N-]=[N+]=NC(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1,CI,0
Cc1c([N+](=O)[O-])c(C)c(S(=O)(=O)c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cc(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)ccc1Cl,CI,0
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
NC(Cc1cc(O)c(O)c(S(=O)(=O)c2ccccc2)c1)C(=O)O,CI,0
O=C(NCCCl)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CCC(CCl)NC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CCC(CO)NC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=NNc1ccc(S(=O)(=O)c2ccc(NN=O)cc2)cc1,CI,0
O=S(=O)(c1ccc(O)cc1)c1ccc(I)cc1,CI,0
O=C(O)c1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,CI,0
O=C(O)c1cccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1,CI,0
Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,CI,0
CC(=NO)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1,CA,1
COc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CM,1
Cl.Nc1ccccc1S(=O)(=O)c1ccccc1,CM,1
O=S(=O)(c1ccccc1)c1ccccc1,CA,1
Cc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CA,1
Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Cl,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
Cc1ccc(S(=O)(=O)c2ccc(NC(=O)SCCC(=O)O)cc2)cc1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1,CM,1
Cc1ccc(S(=O)(=O)c2ccccc2)cc1,CI,0
O=[N+]([O-])c1cccc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1,CI,0
Cc1cc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
O=C(O)c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1,CI,0
Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)c1ccccc1,CI,0
O=C(O)c1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CI,0
CNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CNc1ccc(C)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CNc1ccc(OC)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1,CA,1
CNc1ccc(C)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CNc1ccc(Cl)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CNc1c(Cl)cccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CNc1cc(C)ccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CNc1cc(Cl)ccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CA,1
CCNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CM,1
CNc1ccccc1S(=O)(=O)c1ccccc1Cl,CM,1
CNc1ccccc1S(=O)(=O)c1ccccc1Br,CI,0
O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1,CI,0
O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1,CI,0
NNC(=O)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC(=O)NN)cc2)cc1,CI,0
CNc1ccccc1S(=O)(=O)c1ccccc1C(F)(F)F,CI,0
CNc1ccc(C)cc1S(=O)(=O)c1ccc(OC)cc1,CI,0
CNc1ccccc1S(=O)(=O)c1cc(Cl)ccc1OC,CM,1
CNc1ccc(Cl)cc1S(=O)(=O)c1ccc(OC)cc1,CI,0
CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1Br,CI,0
CC(=O)c1cc(S(=O)(=O)c2ccc(O)c(C(C)=O)c2)ccc1O,CI,0
CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1,CI,0
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1O,CI,0
O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O,CI,0
Cn1c(N)c(N)c(=O)[nH]c1=O,CI,0
Cn1c(N)c(Br)c(=O)n(C)c1=O,CI,0
CCOC(=O)C(=O)NNc1cc(=O)n(C)c(=O)n1C,CI,0
COS(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O,CI,0
C=CCn1c(N)c(N=O)c(=O)n(C)c1=O,CI,0
Cn1c(=O)[nH]c(O)c(N=O)c1=O,CI,0
[N-]=[N+]=NCCOCn1ccc(=O)[nH]c1=O,CI,0
CCCCCCCCSC(=O)n1cc(F)c(=O)[nH]c1=O,CI,0
CCOC(=O)NC(=O)c1cn(CCNCCO)c(=O)[nH]c1=O,CI,0
CCOC(=O)c1cc(=O)n(C)c(=O)n1C,CI,0
Cc1c(C(=O)O)n(C)c(=O)n(C)c1=O,CI,0
COC(=O)c1c(C)c(=O)n(C)c(=O)n1C,CI,0
O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(O)C(O)C(O)C(O)CO,CI,0
O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NCCCOCCOCCCNC(=O)C(O)C(O)C(O)C(O)CO,CI,0
Nc1c(Br)c(=O)[nH]c(=O)n1COCCO,CI,0
[N-]=[N+]=Nc1c(Br)c(=O)[nH]c(=O)n1COCCO,CI,0
CC(=O)n1cc(CC(C)O)c(=O)[nH]c1=O,CI,0
Cc1cn(CC(CO)CCO)c(=O)[nH]c1=O,CI,0
CC(=O)N(C(C)=O)c1c(N)n(C)c(=O)[nH]c1=O,CI,0
CCOC(=O)C=CCC(C)n1cc(C)c(=O)[nH]c1=O,CI,0
CCOC(=O)C=Cn1cc(C)c(=O)[nH]c1=O,CI,0
CCOP(=O)(CCn1cc(C)c(=O)[nH]c1=O)OCC,CI,0
C=CCOC(C)n1c(C)c(Br)c(=O)[nH]c1=O,CI,0
C=CCOC(C)n1c(C)cc(=O)n(C(C)OCC=C)c1=O,CI,0
CCN(CC)C(=O)C(C)n1cc(C)c(=O)[nH]c1=O,CI,0
CCN(CC)C(=O)CCn1ccc(=O)[nH]c1=O,CI,0
CCN(CC)C(=O)CCn1cc(F)c(=O)[nH]c1=O,CI,0
C=CCOCn1ccc(=O)[nH]c1=O,CI,0
C=CCOCn1cc(F)c(=O)[nH]c1=O,CI,0
C=CCOCn1cc(C)c(=O)[nH]c1=O,CI,0
C#CCOCn1ccc(=O)[nH]c1=O,CI,0
C#CCOCn1cc(C)c(=O)[nH]c1=O,CI,0
C=CCOC(=O)Cn1ccc(=O)[nH]c1=O,CI,0
C=CCOC(=O)Cn1cc(C)c(=O)[nH]c1=O,CI,0
Cc1cn(C(CO)OC(CO)CP(=O)(O)O)c(=O)[nH]c1=O.[NaH],CI,0
N.O=c1ccn(C(CO)OC(CO)CCP(=O)(O)O)c(=O)[nH]1,CI,0
Cc1cn(CC(=O)NCCO)c(=O)[nH]c1=O,CI,0
Cc1cn(CC(=O)NCCCO)c(=O)[nH]c1=O,CI,0
Cc1cn(CC(=O)NCCCCO)c(=O)[nH]c1=O,CI,0
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OCC1OC(NC(=S)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O,CI,0
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COC1OC(COC(=O)NCCCCC(=O)C(F)(F)F)C(O)C(O)C1O,CI,0
COC1OC(COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O,CI,0
CC(CCC#CC(=O)O)OC1CCCCO1,CI,0
COC1CC(C)(N)C(O)C(C)O1,CI,0
CCCC1(N)CC(OC)OC(C)C1O,CI,0
COC1CC(C)([N+](=O)[O-])C(O)C(C)O1,CI,0
CCCCCC(C)SC1(C(=O)OC)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1,CI,0
[N-]=[N+]=CC(=O)OC1CCOCC1,CI,0
CC(CC(=O)O)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C,CI,0
CC(CCO)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C,CI,0
CC1(C(=O)O)CCC(C(=O)O)C(C)(C)O1,CI,0
COC(=O)C=C(C)C=CCOC1CCCCO1,CI,0
CCCCC(C=CCOC1CCCCO1)=CC(=O)OCC,CI,0
CCOC(=O)C(C(=O)OCC)C(=S)NC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(OCCCCCCO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COC1OC(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,CI,0
C=C(C(=O)O)C1CCC(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1,CI,0
CC(=CC(=O)OCCCCCCCC(N)=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O,CI,0
NNC(=O)CCc1c[nH]c2ccccc12,CI,0
CCOC(=O)C(Cc1c[nH]c2ccc(N)cc12)(NC(C)=O)C(=O)OCC,CI,0
CC(=O)O.CCC(N)Cc1c[nH]c2ccccc12,CI,0
CCOC(=O)Cc1c[nH]c2ccc(N(CCO)CCO)cc12,CI,0
COc1ccc2[nH]cc(CCNC(C)=O)c2c1,CI,0
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[N+](=O)[O-],CI,0
O=[N+]([O-])C=Cc1cc2ccccc2[nH]1,CI,0
Cn1c(CC(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc21,CI,0
CCOP(=O)(CC(=O)c1cc2ccccc2[nH]1)OCC,CI,0
COc1ccc2[nH]c(C)cc2c1CN,CI,0
COC(=O)C(=Cc1c[nH]c2ccccc12)NC=O,CI,0
CCOC(=O)C(=CNC(Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)OCC,CI,0
CSc1c(S(C)=O)[nH]c2cc(Br)cc(Br)c12,CI,0
C=CCCCn1ccc2ccccc21,CI,0
Cc1[nH]c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2c1[N+](=O)[O-],CI,0
Cn1cc(C(=O)C(Cl)=C(Cl)C(=O)O)c2ccccc21,CI,0
COc1ccc2c(CCNC(C)=O)c(C(C)=O)[nH]c2c1,CI,0
CCOC(=O)C(=CC=CNCCc1c[nH]c2ccccc12)C(=O)OCC,CI,0
CCOC(=O)C(=CC=CNC(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)OCC,CI,0
CC(C)=CCCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12,CI,0
Cc1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2c1[N+](=O)[O-],CI,0
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CC(CC[N+](=O)[O-])[N+](=O)[O-],CI,0
N=C(N)NN=Cc1c[nH]c2ccccc12.O=[N+]([O-])O,CI,0
CN(C)C(=O)CC(C(=O)O)c1c[nH]c2ccccc12,CI,0
C[N+](C)(C)Cc1c(CC#N)[nH]c2ccccc12.[I-],CI,0
CCOC(=CC(=O)OC)NCCc1c[nH]c2ccccc12,CI,0
NC(=S)NN=Cc1cn(CCCl)c2ccccc12,CI,0
N#CC(=Cc1ccc2[nH]ccc2c1)C(N)=C(C#N)C#N,CI,0
CCOC(=O)C(C#N)(Cc1c[nH]c2ccccc12)NC(C)=O,CI,0
CSC(=NCCc1c[nH]c2ccccc12)NC#N,CI,0
COC(=O)C(O)=CC(=O)c1c(C)[nH]c2ccccc12.[NaH],CI,0
N#CC(C#N)=Cc1c[nH]c2ccccc12,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1c[nH]c2ccccc12,CI,0
CCOC(=O)C(=Cc1c[nH]c2ccccc12)P(=O)(OCC)OCC,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1c(C)[nH]c2ccccc12,CI,0
CCOC(=O)C(=Cc1c(C)[nH]c2ccccc12)P(=O)(OCC)OCC,CM,1
CC(C)OP(=O)(OC(C)C)C(C#N)=Cc1c[nH]c2ccccc12,CI,0
CCOC(=O)C(C#N)=Cc1c[nH]c2ccccc12,CI,0
CSc1c(S(C)=O)c2ccccc2n1C,CI,0
C#CCN(CC#C)C(=O)C(=O)c1c[nH]c2ccc(OC)cc12,CI,0
CCN(CC)C(=O)CCNC(C)Cc1c[nH]c2ccccc12,CI,0
CCCNC(=O)Cn1c(C)cc2ccccc21,CI,0
Cc1cc2ccccc2n1CC(=O)NCC(C)C,CI,0
CCN(CC)C(=O)Cn1c(C)cc2ccccc21,CI,0
COC(=O)C(Cc1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC,CI,0
NC(Cc1c[nH]c2ccccc12)P(=O)(O)O,CI,0
COC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC,CI,0
COP(=O)(OC)C(=Cc1c[nH]c2ccccc12)C(=O)O,CI,0
CCOP(C)(=O)C(Cc1c[nH]c2ccccc12)C(=O)O,CI,0
CCOC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(C)(=O)OCC,CI,0
CC(=O)OC(OC(C)=O)n1cc(C=O)c2ccccc21,CI,0
CCOP(=O)(OCC)C(Cc1c[nH]c2ccccc12)C(=O)O,CI,0
COP(=O)(OC)C(Cc1cn(C(C)=O)c2ccccc12)C(=O)O,CI,0
CCOC(=O)C(Cc1cn(C(C)=O)c2ccccc12)P(=O)(OCC)OCC,CI,0
COP(=O)(OC)C(N)Cc1c[nH]c2ccccc12,CI,0
COP(=O)(O)C(N)Cc1c[nH]c2ccccc12,CI,0
CP(=O)(O)C(N)Cc1c[nH]c2ccccc12,CI,0
CCOC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC,CI,0
COP(=O)(OC)C(=Cc1cn(C(C)=O)c2ccccc12)NC(C)=O,CI,0
Cc1c(O)c(C)c2c(C)cn(C(=O)C(C)(C)C)c2c1C,CI,0
CCOC(=O)n1ccc2c(C(=O)OC)c(C(=O)OC)cc(C(=CC(=O)OC)C(=O)OC)c21,CI,0
CC(=O)N(C)CCc1c[nH]c2ccccc12,CI,0
CC(=O)NCCc1c[nH]c2ccc(Cl)cc12,CI,0
O=C(NCCc1c[nH]c2ccccc12)C(F)(F)F,CI,0
CNC(=O)NCCc1c[nH]c2ccccc12,CI,0
CC(C)NC(=O)NCCc1c[nH]c2ccccc12,CI,0
O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)(F)F,CI,0
N#CCC(=O)NCCc1c[nH]c2ccccc12,CI,0
CCCC(=O)Nc1ccc2c(ccn2COC)c1,CI,0
COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1,CI,0
CCNC(=S)NCCc1c[nH]c2ccccc12,CI,0
C=CCC(=S)NCCc1c[nH]c2ccccc12,CI,0
CCOC(=O)c1[nH]c2ccccc2c1C(=O)CC(NC(=O)C(F)(F)F)C(=O)OC,CI,0
COC(=O)C(N)C(C)c1c[nH]c2ccccc12,CI,0
COC(=O)n1c(C)c(C=O)c2ccc(OC)cc21,CI,0
CCCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,CI,0
CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)O)C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(N)=O,CI,0
C=CCN(c1cc(OC)c2[nH]cc(C)c2c1[N+](=O)[O-])S(C)(=O)=O,CI,0
C=CCN(c1cc(OC)c2[nH]c(C(=O)O)c(C)c2c1[N+](=O)[O-])S(C)(=O)=O,CI,0
CCN(CC)CCOC(=O)c1cc2ccccc2[nH]1.Cl,CI,0
CC(CN(C)C)OC(=O)c1cc2ccccc2[nH]1.Cl,CI,0
Oc1ccc(Cl)cc1C(c1cc(Cl)ccc1O)C(Cl)(Cl)Cl,CM,1
CCN(CC)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN(CC)CC)cc2)cc1,CI,0
Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,CI,0
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1,CI,0
Cc1cc(Cc2cc(C)cc(S(=O)(=O)O)c2O)c(O)c(S(=O)(=O)O)c1,CM,1
CSS(=O)(=O)C(c1ccccc1)c1ccccc1,CI,0
O=C(O)CCC(=O)NC(c1ccccc1)c1ccccc1,CI,0
Oc1ccc(Cl)cc1Cc1ccccc1,CI,0
O=C(O)COc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O,CI,0
NC(=O)C(N)(c1ccccc1)c1ccccc1,CI,0
O=Nc1ccc(O)cc1Cc1ccccc1,CI,0
CNS(=O)(=O)c1ccccc1C(C)(O)c1ccccc1,CI,0
CNCCOC(c1ccccc1)c1ccccc1C,CI,0
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,CI,0
CN(C)C=NNC(=O)C(O)(c1ccccc1)c1ccccc1,CI,0
N=C(CCSS(=O)(=O)O)NCC(c1ccccc1)c1ccccc1,CM,1
CCN(CC)CC(=O)Nc1ccc(Cl)cc1Cc1ccccc1,CI,0
CCN(CC)CC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1,CI,0
CC(C)(C)SSC(=S)C(c1ccccc1)c1ccccc1,CI,0
COC(C(=O)CN(C)C)(c1ccccc1)c1ccccc1,CI,0
O=C(O)c1cc(Cc2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O,CI,0
O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O,CM,1
Cc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O,CM,1
N#CC(C#N)C(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(O)c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)O)c2O)c1O.[NaH],CM,1
CN(C)c1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1,CI,0
CC(C)(C)c1cc(Cc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1,CI,0
CSc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1,CI,0
CC(C)(C)c1cc(Cc2ccc([N+](C)(C)C)cc2)c(O)c(C(C)(C)C)c1.COS(=O)(O)=[OH+],CI,0
COc1ccc(OC)c(Cc2c(OC)ccc(OC)c2O)c1O,CI,0
N.O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O,CM,1
O=C(O)CC(c1ccccc1)c1ccccc1,CI,0
COc1ccc(C(CC(=O)O)c2ccccc2)cc1,CI,0
CCOC(=O)CC(O)(c1ccccc1)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=[N+]([O-])c1ccc(Cc2ccccc2)cc1,CI,0
CCCCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCCCCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
CCCCCCCCCCCCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N,CI,0
COc1cc(Cc2c(OC)c(OC)cc(C)c2C(=O)O)cc(OC)c1,CI,0
CCCCCCCCCCC(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CI,0
COc1ccccc1C(N)c1ccccc1.Cl,CI,0
CCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N,CI,0
CCCCCCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N,CM,1
CC(C)(c1ccccc1)c1ccc(OC#N)cc1,CI,0
CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1,CI,0
N.O=C(O)c1cc(Cc2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O,CI,0
ON=CC(=NO)Nc1ccc(Cc2ccc(NC(C=NO)=NO)cc2)cc1,CI,0
CN(C)S(=O)(=O)c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)N(C)C)c2O)c1O,CI,0
COc1c(Cc2cc(Cl)cc(S(=O)(=O)N(C)C)c2OC)cc(Cl)cc1S(=O)(=O)N(C)C,CI,0
CC[N+](C)(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1.[I-],CI,0
CCN(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1,CI,0
CC(=O)NC(NCCN)(c1ccccc1)c1ccccc1,CI,0
CCN(CC)CCOC(NC(C)=O)(c1ccccc1)c1ccccc1,CI,0
Cc1cc(Cc2cc(C)c(S)c(C(=O)O)c2)cc(C(=O)O)c1S.N,CA,1
Cc1c(C(=O)O)cc(C(=O)O)c(Cc2c(C(=O)O)cc(C(=O)O)c(C)c2O)c1O.N,CI,0
Cc1cc(C(=O)O)c(C(=O)O)cc1Cc1cc(C(=O)O)c(C(=O)O)cc1C.N,CI,0
CCc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O.N,CM,1
CC[N+](C)(CC)CCC(O)(c1ccccc1)c1ccccc1.[Cl-],CI,0
COC(=O)c1cc(Cc2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC,CI,0
CSCCC(NC(c1ccccc1)c1ccccc1)[PH](=O)O,CI,0
COC(=O)NNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
COC(=O)N=[N+]([O-])C(c1ccccc1)c1ccccc1,CI,0
COC(=O)N=[N+]([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
Cc1cc(Cc2cc(C)c(O)c(Br)c2)cc(Br)c1O,CI,0
COc1c(C)cc(Cc2cc(C)c(OC)c(Br)c2)cc1Br,CI,0
COC(=O)c1cc(Cc2cc(Br)cc(C(=O)OC)c2O)cc(Cl)c1O,CI,0
COC(=O)CCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0
COC(=O)c1cc(Cc2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC,CI,0
COC(=O)c1cc(C(c2cc(C(=O)OC)c(OC)c(Br)c2C)C(Cl)(Cl)Cl)c(C)c(Br)c1OC,CI,0
COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)cc2C)C(Cl)(Cl)Cl)c(C)cc1O,CI,0
COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)c(Br)c2C)C(Cl)(Cl)Cl)c(C)c(Br)c1O,CI,0
COC(=O)c1cc(C(CCl)c2cc(C(=O)OC)c(O)cc2C)c(C)cc1O,CI,0
COC(=O)c1cc(C(CCl)c2cc(C(=O)OC)c(O)c(Br)c2C)c(C)c(Br)c1O,CI,0
COC(=O)c1cc(C(CCl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC,CI,0
COC(=O)c1cc(C(c2cc(C(=O)OC)c(OC)c(Br)c2C)C(Cl)Cl)c(C)c(Br)c1OC,CI,0
COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)c(Br)c2C)C(Cl)Cl)c(C)c(Br)c1O,CI,0
COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)cc2C)C(Cl)Cl)c(C)cc1O,CI,0
Nc1nc(S)c2nc[nH]c2n1,CI,0
Sc1ncnc2[nH]cnc12,CI,0
Nc1nc(Cl)c2nc(Cl)[nH]c2n1,CI,0
CNc1ncnc2[nH]c(OC)nc12,CI,0
N#[N+]c1nc2c(O)ncnc2[nH]1,CI,0
Oc1nc(O)c2nc(Cl)[nH]c2n1,CI,0
CCCCNc1nc(C(F)(F)F)nc2[nH]cnc12,CI,0
FC(F)(F)c1nc(Cl)nc2[nH]cnc12,CI,0
CCCCCn1cnc2c(S)nc(N)nc21,CI,0
CS(=O)(=O)c1nc(N)nc2[nH]cnc12,CI,0
CC(C)NS(=O)(=O)c1ncnc2[nH]cnc12,CI,0
N#CCCCCn1cnc2c(N)ncnc21,CI,0
Nc1ncnc2[nH]c(CO)nc12,CI,0
Nc1ncnc2[nH]c(C(O)C(O)C(O)CO)nc12,CI,0
CC(=O)OCc1nc2c(N)ncnc2[nH]1,CI,0
Nc1nc(F)nc2c1ncn2CC(O)CO,CI,0
Nc1ncnc2c1ncn2CC(O)C(=O)O,CI,0
OCCCCn1cnc2c(O)ncnc21,CI,0
Nc1ncnc2c1nc(Br)n2C(C=O)OC(C=O)CO,CI,0
Nc1ncnc2c1ncn2CC(O)CO,CI,0
COc1nc(O)c2nc[nH]c2n1,CI,0
Nc1ncnc2c1ncn2COCC=CI,CI,0
C#CCOCn1cnc2c(N)ncnc21,CI,0
C#CCOCn1cnc2c(Cl)ncnc21,CI,0
C#CCOCn1cnc2c(O)ncnc21,CI,0
C#CCOCn1cnc2c(S)ncnc21,CI,0
NC(=S)NN=CC(CO)OC(C=NNC(N)=S)n1cnc2c(N)ncnc21,CI,0
CC(C)C(=O)Nc1nc(O)c2nc[nH]c2n1,CI,0
Nc1nc(O)c2ncn(CCN(CCCl)CCCl)c2n1,CI,0
Nc1nc(O)c2ncn(C(CCO)SCCO)c2n1,CI,0
C=C(Cn1cnc2c(N)ncnc21)C(=O)OC,CI,0
Nc1nc(O)c2ncn(COCCO)c2n1,CI,0
CCOC(=O)CC(CC(=O)OCC)n1cnc2c(N)ncnc21,CI,0
C=C(Cn1cnc2c(N)ncnc21)C(=O)OCC,CI,0
CCOP(=O)(CCn1cnc2c(N)ncnc21)OCC,CI,0
COC(=O)C(Cn1cnc2c(N)ncnc21)P(=O)(OC)OC,CI,0
COC(=O)C(Cn1cnc2c(Cl)nc(N)nc21)P(=O)(OC)OC,CI,0
C=CCOCn1cnc2c(N)ncnc21,CI,0
C=CCOCn1cnc2c(O)nc(N)nc21,CI,0
C=CCOC(=O)Cn1cnc2c(N)ncnc21,CI,0
N.Nc1ncnc2c1ncn2C(CO)OC(CO)CCP(=O)(O)O,CI,0
Nc1ncnc2c1ncn2CC(=O)NCCO,CI,0
Nc1ncnc2c1ncn2CC(=O)NCCCO,CI,0
Nc1ncnc2c1ncn2CC(=O)NCCCCO,CI,0
CSc1nc2c(N)ncnc2n1C,CI,0
Cc1nc(O)c2ncn(CCO)c2n1,CI,0
CC(C)=CCNc1ncnc2c1ncn2CCC(=O)O,CI,0
CC(C)=CCNc1ncnc2c1ncn2CCC#N,CI,0
CC(C)=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C,CI,0
CC(=O)OCCn1cnc2c(NCC=C(C)C)ncnc21,CI,0
CC(C)=CCNc1nc(Cl)nc2[nH]cnc12,CI,0
CC(C)=CCN(N=O)c1ncnc2[nH]cnc12,CI,0
COC(=O)CCn1cnc2c(SC)ncnc21,CI,0
CSc1ncnc2c1ncn2CCC#N,CI,0
CSc1ncnc2c1ncn2CCC(=O)O,CI,0
CSc1ncnc2c1ncn2CCC(=O)OC(C)(C)C,CI,0
CC(=CCNc1ncnc2c1ncn2CCC#N)CO,CI,0
CC(=CCNc1ncnc2c1ncn2CCC(=O)O)CO,CI,0
CC(=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)CO,CI,0
CC(CO)CCNc1ncnc2c1ncn2CCC#N,CI,0
CC(CO)CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C,CI,0
CC(CO)CCNc1ncnc2c1ncn2CCC(=O)O,CI,0
Nc1ncnc2c1ncn2C(Cl)=C(Cl)Cl,CI,0
CCN(CC)c1ncnc2c1ncn2CCNC(CO)(CO)CO,CI,0
Oc1nc(S)nc2[nH]cnc12,CI,0
OCCCCCNc1nc(O)c2nc[nH]c2n1,CI,0
CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc21,CI,0
CCCCNc1nc(O)c2nc[nH]c2n1,CI,0
CC(C)(C)C(=O)OCOP(=O)(OCCOCn1cnc2c(O)nc(N)nc21)OCOC(=O)C(C)(C)C,CI,0
Sc1nc(S)c2nc[nH]c2n1,CI,0
CSc1nc(SC)c2nc[nH]c2n1,CI,0
CS(=O)(=O)c1nc(O)c2nc[nH]c2n1,CI,0
CCn1cnc2c(NC(C)=O)ncnc21,CI,0
O=C(O)C1(O)CC(O)C(O)C(O)C1,CI,0
OCC1(CO)CCCC(CO)(CO)C1O,CI,0
CCCCN=C(NCCCC)OC1CCCCC1,CI,0
CCCCN(CCCC)CC1CC(C(C)(C)C)CCC1O,CI,0
O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,CI,0
NC(=O)NCCSC1CCCCC1O,CI,0
NC(=O)NCCSC1(SCCNC(N)=O)CCCCC1,CI,0
CCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1,CI,0
O=NN(CCCl)C(=O)NC1CCCCC1,CI,0
CC1CCC(NC(=O)N(CCCl)N=O)CC1,CI,0
CCOP(=O)(NC1CCCCC1)OCC,CI,0
O=[N+]([O-])CC1CCCCC1O,CI,0
CC(C)(C)C1CCC(NC(=N)CSS(=O)(=O)O)CC1,CI,0
N=C(CSS(=O)(=O)O)NC1CCCCC1,CI,0
N=C(CSS(=O)(=O)O)NCCCC1CCCCC1,CI,0
N=C(CSS(=O)(=O)O)NCCCCC1CCCCC1,CI,0
N=C(CSS(=O)(=O)O)NCC1CCCCC1,CI,0
N=C(CS)NC1CCCCC1,CI,0
O=S(=O)(O)NC1CCCCC1,CI,0
NCC1CCC(C(=O)O)CC1,CI,0
CSCC1(O)CCCCC1,CI,0
CCOC(=O)NN(C(=O)OCC)C(C(=O)C1CCCCC1)N(NC(=O)OCC)C(=O)OCC,CI,0
O=S(=O)(O)SCCNCCCCC1CCCCC1,CI,0
CC(=NO)C1CC(C)([N+](=O)[O-])CCC1(C)O,CI,0
C=C(C)C1CCC(C)CC1OC(C)=O,CI,0
Cl.NC1CCCC(O)C1O,CI,0
CC(=CC=CC(C)C)C1CCC(C)(NC=O)CC1,CI,0
C=CC1(O)CCC(C(C)(C)C)CC1CC(=C)Br,CI,0
CC1CCC(C(C)C)C(O)(CC(N)=O)C1,CI,0
CCCSCC(P(=O)(O)O)P(=O)(O)O.NC1CCCCC1,CI,0
CN(C)CC1CCCC(CN(C)C)C1O.Cl,CI,0
OCCC1(O)CCC(O)CC1,CI,0
C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1O.[I-],CI,0
Cl.NC1C(O)C(O)C(O)C(O)C1O,CI,0
[N-]=[N+]=NC1C(O)C(O)C(O)C(O)C1O,CI,0
NC1CCCCC1.O=C(O)C(CP(=O)(O)O)=C(Cl)Cl,CI,0
CN(C)CC1CCCCC1O.Cl,CI,0
C[N+](C)(C)CC1CCCCC1O.[I-],CI,0
CCCC(=O)OC1C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1OC(=O)CCC,CI,0
CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)O,CI,0
CNC(=S)NC1CCCCC1NC(=S)NC,CI,0
CCCCCC#COC1CC(C)CCC1C(C)C,CI,0
CC(=O)OCC=C(C=CCNC1CCCCC1)OC(C)=O,CI,0
CCOC(=O)C=CC1(CCOC(C)=O)CCCCC1,CI,0
CCOP(=O)(OCC)C(F)(F)CC1CCCCC1,CI,0
CCOC(=O)C1(C(=O)OCC)CCC(C(OC)OC)C(CC(=O)OC)C1,CI,0
C=C(Br)CN(C(C)=O)C1CCCCC1,CI,0
CC(=O)NC(C)(C)C1CCC(C)CC1,CI,0
CC(=O)NC1(C)CCC(C(C)(C)NC(C)=O)CC1,CI,0
CC#CC(O)(C(=O)OCCCN(C)C)C1CCCCC1,CI,0
CC1(C)CC(O)C(C)(C)C(O)C1,CI,0
C=C(C)C1CCC(C)(O)C(C#N)C1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC1CCCCC1)C(N)=O,CI,0
CC(C)(C)OC(=O)NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,CI,0
C=CCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,CI,0
COC(=O)CN(CC(=O)NCCNC(=O)OC(C)(C)C)C1CCCCC1N(CC(=O)OC)CC(=O)OC,CI,0
COC(=O)CN(CC(=O)NCCCBr)C1CCCCC1N(CC(=O)OC)CC(=O)OC,CI,0
Cl.NC1CCC(N(CC(=O)O)CC(=O)O)C(N(CC(=O)O)CC(=O)O)C1,CI,0
CC(=O)NC1CCC(NC(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C1,CI,0
NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,CI,0
O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)NCCN=C=S,CI,0
C=CCNC(=O)CN(CC(=O)OC)C1CCCCC1N(CC(=O)OC)CC(=O)OC,CI,0
CCCC(=O)NC(NC1CCCCC1)(C(=O)OCC)C(F)(F)F,CI,0
O=C(O)C=NNC(=S)NC1CCCCC1,CI,0
CC1(Cl)CC(C)(Br)C(C=CCl)CC1Br,CI,0
C#CC(C)(C)C(C=NNC(=O)OC1CC(C)CCC1C(C)C)CCC(=O)OC,CI,0
COCC=CC1(O)CCCCC1CC(OC)OC,CI,0
COCC#CC1(O)CCCCC1CC(OC)OC,CI,0
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-],CI,0
O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1,CM,1
O=C(O)c1ccccc1SSc1ccccc1C(=O)O,CI,0
CCCCCCCCCCCC(=O)Nc1ccc(SSc2ccc(NC(=O)CCCCCCCCCCC)cc2)cc1,CI,0
Clc1ccc(Cl)c(SSc2cc(Cl)ccc2Cl)c1,CI,0
CN(C)c1ccc(SSc2ccc(N(C)C)cc2)cc1,CI,0
Brc1ccc(SSc2ccc(Br)cc2)cc1,CI,0
Cc1ccc(SSc2ccc(C)cc2)cc1,CI,0
COc1ccc(SSc2ccc(OC)cc2)cc1,CI,0
c1ccc(SSc2ccccc2)cc1,CI,0
NNC(=O)c1ccccc1SSc1ccccc1C(=O)NN,CM,1
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1,CI,0
COC(=O)c1ccccc1SSc1ccccc1C(=O)OC,CI,0
Nc1ccccc1SSc1ccccc1N,CI,0
CCOC(=O)COc1c(C)cc(SSc2cc(C)c(OCC(=O)OCC)c(C)c2)cc1C,CI,0
N=C(N)Nc1ccccc1SSc1ccccc1NC(=N)N.O=S(=O)(O)O,CA,1
Clc1ccc(SSc2ccc(Cl)cc2)cc1,CI,0
N#Cc1ccc(SSc2ccc(C#N)cc2)cc1,CI,0
Nc1cc(C(=O)O)ccc1SSc1ccc(C(=O)O)cc1N,CM,1
O=C(CCl)Nc1ccc(SSc2ccc(NC(=O)CCl)cc2)cc1,CI,0
CNC(=O)Oc1ccc(Cl)cc1SSc1cc(Cl)ccc1OC(=O)NC,CI,0
Oc1c(Cl)cccc1SSc1cccc(Cl)c1O,CI,0
CNC(=O)Oc1c(Cl)cccc1SSc1cccc(Cl)c1OC(=O)NC,CI,0
O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1,CI,0
Ic1ccc(SSc2ccc(I)cc2)cc1,CI,0
Oc1ccccc1SSc1ccccc1O,CI,0
S=C=Nc1ccc(SSc2ccc(N=C=S)cc2)cc1,CI,0
Clc1ccc(SSc2ccccc2)cc1,CI,0
Nc1ccc(S(N)(=O)=O)cc1SSc1cc(S(N)(=O)=O)ccc1N,CM,1
Nc1ccc(SSc2ccc(N)cc2)cc1,CI,0
COc1cc(SSc2cc(OC)cc([N+](=O)[O-])c2N)c(N)c([N+](=O)[O-])c1,CM,1
O=[N+]([O-])c1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
Nc1cc(S(N)(=O)=O)ccc1SSc1ccc(S(N)(=O)=O)cc1N,CM,1
Cc1cc(C(=O)O)c(C)cc1SSc1cc(C)c(C(=O)O)cc1C,CM,1
COc1cc(SSc2ccc(N)c(OC)c2)ccc1N,CI,0
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1,CI,0
Cc1ccc(SSc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
COC(=O)c1ccc(SSc2ccc(C(=O)OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
Cc1ccccc1SSc1ccccc1C,CI,0
CC(C)(C)c1ccc(SSc2ccc(C(C)(C)C)cc2)cc1,CI,0
Clc1ccc(SSc2ccc(Cl)cc2Cl)c(Cl)c1,CI,0
O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2)cc1,CM,1
Clc1cc(Cl)c(SSc2cc(Cl)c(Cl)cc2Cl)cc1Cl,CI,0
NS(=O)(=O)c1ccc(SSc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CM,1
CNc1ccc(F)cc1SSc1cc(F)ccc1NC,CI,0
O=C(O)c1cc(Br)cc(SSc2cc(Br)cc(C(=O)O)c2O)c1O,CM,1
Cc1ccc(SSc2ccc(C(C)(C)C)cc2)cc1,CI,0
Nc1ccccc1SSc1ccccc1C(=O)O,CM,1
O=NNc1ccc(SSc2ccc(NN=O)cc2)cc1,CI,0
COc1ccc(SSc2ccc(OC)cc2C(=O)O)c(C(=O)O)c1,CI,0
Cc1cc(C)c(SSc2c(C)cc(C)cc2C)c(C)c1,CI,0
COS(=O)CCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCS(=O)OC,CM,1
Cc1ccc(SSc2ccc(C)cc2C(=O)O)c(C(=O)O)c1,CI,0
Cc1cc(C)c(C(=O)O)c(SSc2cc(C)cc(C)c2C(=O)O)c1,CM,1
O=[N+]([O-])c1ccc(Cl)c(SSc2cc([N+](=O)[O-])ccc2Cl)c1,CI,0
O=[N+]([O-])c1cc(SSc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl,CI,0
Ic1ccccc1SSc1ccccc1I,CI,0
Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N,CI,0
O=S(=O)(O)c1ccc(SSc2ccc(S(=O)(=O)O)cc2)cc1.[KH],CI,0
Cc1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CI,0
Cc1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1,CI,0
N#Cc1ccccc1SSc1ccccc1C#N,CI,0
Cc1ccc(SSc2ccc(C)c(Cl)c2)cc1Cl,CI,0
CS(=O)(=O)c1ccc(SSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
COc1cccc(SSc2cccc(OC)c2OC)c1OC,CI,0
O=C(O)C=CC(=O)Nc1ccc(SSc2ccc(NC(=O)C=CC(=O)O)cc2)cc1,CM,1
CC(C)(C)CC(C)(C)c1ccc(O)c(SSc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(Br)cc1)c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1cccc(O)c1)c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(N)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O,CI,0
COc1ccc(OC)c(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3nc2O)c1,CI,0
COc1cccc(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3nc2O)c1,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=NNC(=S)NN)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccccc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccccc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
Cc1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1nc2cc(C)c(C)cc2nc1O,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1c(C)cccc1C)c1cnc2ccccc2n1,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)C(c1cnc2ccccc2n1)[N+](=O)[O-],CI,0
COC(=O)C(C(=O)C(=O)Nc1cccc(OC)c1)c1cnc2ccccc2n1,CI,0
COc1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2nc1O,CI,0
O=C(Nc1cc(Cl)ccc1Cl)C(=O)C(c1cnc2ccccc2n1)[N+](=O)[O-],CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2cc(C)c(C)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
Cc1cccc(NC(=O)C(=O)Cc2nc3ccccc3nc2O)c1C,CI,0
NC(=O)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2nc1O,CI,0
Cc1nc2ccccc2nc1CC(=O)C(=O)Nc1ccc(Cl)cc1Cl,CM,1
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2nc1O,CI,0
COC(=O)C(=NNC(C)(C)C)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccccc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C#N)c1nc2ccccc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccccc2nc1O,CI,0
O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1ccccc1[N+](=O)[O-],CI,0
COc1ccc(NC(=O)C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2O)c(OC)c1,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)Cc1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccccc2nc1O,CI,0
CCOc1ccc(NC(=O)C(=O)C(C(=NN)C(=O)OC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)c(C)c1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O,CI,0
NC(=O)c1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
CC(=O)c1cccc(NC(=O)C(=O)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1,CI,0
Cc1ccc(C)c(NC(=O)C(=O)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccccc1C#N)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1OC)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=NN)C(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
CCOc1ccccc1NC(=O)C(=O)C(C(=NN)C(=O)OC)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccccc1OC)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(Cl)cc2nc1O,CI,0
COc1ccccc1NC(=O)C(=O)Cc1cnc2ccccc2n1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O,CI,0
Cc1cc(NC(=O)C(=O)Cc2cnc3ccccc3n2)c(S(=O)(=O)O)cc1Cl,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(OC)c1)c1nc2ccc(Cl)cc2nc1O,CI,0
Cc1ccccc1NC(=O)C(=O)Cc1cnc2ccccc2n1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc(Cl)cc2nc1O,CI,0
Clc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
COc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Clc1ccc(C2SCc3nc4ccccc4n32)cc1Cl,CI,0
Brc1ccccc1C1SCc2nc3ccccc3n21,CI,0
Fc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Brc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0
Brc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Cc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0
Clc1ccccc1C1SCc2nc3ccccc3n21,CI,0
Clc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0
COc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0
Clc1ccc(C2SCc3nc4ccccc4n32)c(Cl)c1,CI,0
Clc1cccc(C2SCc3nc4ccccc4n32)c1Cl,CI,0
Clc1cccc(Cl)c1C1SCc2nc3ccccc3n21,CA,1
Fc1cccc(Cl)c1C1SCc2nc3ccccc3n21,CA,1
Fc1cccc(C2SCc3nc4ccccc4n32)c1F,CI,0
Fc1ccc(C2SCc3nc4ccccc4n32)c(F)c1,CI,0
Fc1ccc(F)c(C2SCc3nc4ccccc4n32)c1,CI,0
Fc1cccc(F)c1C1SCc2nc3ccccc3n21,CA,1
Cc1ccccc1C1SCc2nc3ccccc3n21,CI,0
FC(F)(F)c1ccccc1C1SCc2nc3ccccc3n21,CI,0
FC(F)(F)c1cccc(C2SCc3nc4ccccc4n32)c1,CI,0
FC(F)(F)c1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Fc1cccc(C2SCc3nc4ccccc4n32)c1,CM,1
Fc1ccccc1C1SCc2nc3ccccc3n21,CM,1
Clc1cc(Cl)cc(C2SCc3nc4ccccc4n32)c1,CI,0
Oc1cccc(C2SCc3nc4ccccc4n32)c1,CM,1
O=[N+]([O-])c1ccc(Cl)c(C2SCc3nc4ccccc4n32)c1,CM,1
O=[N+]([O-])c1cc(C2SCc3nc4ccccc4n32)ccc1Cl,CI,0
O=[N+]([O-])c1ccc(Cl)cc1C1SCc2nc3ccccc3n21,CI,0
O=[N+]([O-])c1ccccc1C1SCc2nc3ccccc3n21,CM,1
O=[N+]([O-])c1cccc(C2SCc3nc4ccccc4n32)c1,CI,0
O=[N+]([O-])c1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
N#Cc1cccc(C2SCc3nc4ccccc4n32)c1,CM,1
FC(F)(F)c1cc(C2SCc3nc4ccccc4n32)cc(C(F)(F)F)c1,CI,0
Fc1ccc(C2SCc3nc4ccccc4n32)cc1Cl,CI,0
Oc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Oc1ccccc1C1SCc2nc3ccccc3n21,CI,0
COc1ccccc1C1SCc2nc3ccccc3n21,CI,0
c1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
CC(=O)OC1SC(c2c(F)cccc2F)n2c1nc1ccccc12,CM,1
COc1ccccc1C1(C)SCc2nc3ccccc3n21,CI,0
Cc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Cc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1,CI,0
Cc1cc2nc3n(c2cc1C)C(c1c(F)cccc1F)SC3,CM,1
FC(F)(F)C1(c2ccccc2)SCc2nc3ccccc3n21,CM,1
CC(=O)Nc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
CC(=O)Oc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Fc1cccc(F)c1C1SCc2nc3cc(Cl)ccc3n21,CI,0
O=[N+]([O-])c1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1,CM,1
Fc1cccc(F)c1C1SCc2nc3cc(Cl)c(Cl)cc3n21,CI,0
Fc1cccc(F)c1C1SCc2nc3ccc(Cl)cc3n21,CM,1
O=[N+]([O-])c1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3,CI,0
Cc1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3,CM,1
O=C(O)c1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0
Nc1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3,CI,0
Nc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1,CI,0
CC1SC(c2c(F)cccc2F)n2c1nc1ccccc12,CA,1
CC1SC(c2c(F)cccc2Cl)n2c1nc1ccccc12,CM,1
COc1ccc2nc3n(c2c1)C(c1c(F)cccc1Cl)SC3,CI,0
COc1ccc2c(c1)nc1n2C(c2c(F)cccc2Cl)SC1,CI,0
COc1ccc2nc3n(c2c1)C(c1c(Cl)cccc1Cl)SC3,CI,0
COc1ccc2c(c1)nc1n2C(c2c(Cl)cccc2Cl)SC1,CI,0
NC12CC3CC(CC(C3)C1)C2,CI,0
NC1(C(=O)O)C2CC3CC(C2)CC1C3,CI,0
CC(C)(N)CO[P+]([O-])=NC12CC3CC(CC(C3)C1)C2,CI,0
N=C(CSS(=O)(=O)O)NCC12CC3CC(CC(C3)C1)C2,CI,0
NC(=S)NCC12CC3CC(CC(C3)C1)C2,CI,0
CC12CC3CC(C)(C1)CC(CNC(=N)CS)(C3)C2,CI,0
N=C(N)SC12CC3CC(CC(C3)C1)C2,CI,0
NCCSC12CC3CC(CC(C3)C1)C2,CI,0
CC12CC3CC(C)(C1)CC(SC(=N)N)(C3)C2,CI,0
N=C(CS)NCC1C2CC3CC(C2)CC1C3,CI,0
CC(CNC(=N)CSS(=O)(=O)O)OC12CC3CC(CC(C3)C1)C2,CI,0
CC12CC3CC(C)(C1)CC(SCCN)(C3)C2,CI,0
N=C(CSP(=O)(O)O)NCC12CC3CC(CC(C3)C1)C2,CI,0
CC(CN)OC12CC3CC(CC(C3)C1)C2,CI,0
CCOC(=O)CNC(=O)N(CC)C12CC3CC(CC(C3)C1)C2,CI,0
CCOC(=O)C(C)NC(=O)N(C)C12CC3CC(CC(C3)C1)C2,CI,0
CC12CC3(C)CC(C)(C1)CC(C(NC(C)(C)C)C(=O)O)(C2)C3,CI,0
NCCC1C2CC3CC(C2)CC1C3,CI,0
CC(=O)NC(=CC=CCC=O)SC12CC3CC(CC(C3)C1)C2,CI,0
CCN=C(CC(=O)C12CC3CC(CC(C3)C1)C2)N(CC)CC,CI,0
NC1C2CC3CC(C2)CC1(N)C3,CI,0
NC(=S)NN=CC12CC3CC(CC(C3)C1)C2,CI,0
CC(=O)SSC12CC3CC(CC(C3)C1)C2,CI,0
CC12CC3CC(C)(C1)CC(N=[N+]=[N-])(C3)C2,CI,0
CC12CC3CC(C1)CC(N=[N+]=[N-])(C3)C2,CI,0
[N-]=[N+]=NC12CC3CC(CC(C3)C1)C2,CI,0
[N-]=[N+]=NC1C2CC3CC(C2)CC1C3,CI,0
O=C(O)C(Cl)=C(Cl)C(=O)NC1C2CC3CC(C2)CC1C3,CI,0
NC(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
CN(C)NC(=S)NC12CC3CC(CC(C3)C1)C2,CI,0
CCOC(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
CC(C)=NNC(=S)NC12CC3CC(CC(C3)C1)C2,CI,0
CN(C)NC(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
COC(=S)C12CC3CC(CC(C3)C1)C2,CI,0
COC(F)(F)C12CC3CC(CC(C3)C1)C2,CI,0
NNC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3,CI,0
CN(C)CCONC(=O)C12CC3CC(CC(C3)C1)C2,CI,0
CCCCC(C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)C(C)C,CI,0
CCCCCCC(=O)CC(=NNC(N)=S)C(=O)NC1C2CC3CC(C2)CC1C3,CI,0
Cl.NC12CC3CC(C1)CC(C(=O)O)(C3)C2,CI,0
COC(=O)C12CC3CC(CC(C(=O)O)(C3)C1)C2,CI,0
NC(=O)C12CC3CC(CC(Br)(C3)C1)C2,CI,0
COC(=O)C12CC3CC(C1)CC(C(=O)OC)(C3)C2,CI,0
COC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3,CI,0
CCCC(=O)CC(C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
CCOC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
N#CCC(=O)NC1C2CC3CC(C2)CC1C3,CI,0
CC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C,CI,0
O=C(O)C12CC3CC(CC(F)(C3)C1)C2,CI,0
NC(=O)C12CC3CC(CC(F)(C3)C1)C2,CI,0
Cl.NC12CC3CC(C1)CC(Cl)(C3)C2,CI,0
COC(=O)NC12CC3CC(CC(F)(C3)C1)C2,CI,0
NC(=O)NC12CC3CC(CC(F)(C3)C1)C2,CI,0
CC(C)(C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2,CI,0
CCOC(=O)C(C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2,CI,0
COC(=O)C(CC(C)C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2,CI,0
CC(C)(C)S(=O)OC12CC3CC(CC(C3)C1)C2,CI,0
CCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2,CI,0
NC(=O)C(N)CC12CC3CC(CC(C3)C1)C2.O=S(=O)(O)O,CI,0
COC(=O)C(CC12CC3CC(CC(C3)C1)C2)NC(=O)C(N)CC(=O)O,CI,0
CC(NC(=O)C(N)CC(=O)O)C(=O)OC12CC3CC(CC(C3)C1)C2,CI,0
OC[P+](CO)(CO)C12CC3CC(CC(C3)C1)C2.[Cl-],CI,0
C[N+](C)([O-])C12CC3CC(CC(C3)C1)C2,CI,0
O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21,CI,0
O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,CI,0
O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c(O)c2O,CI,0
O=C1c2ccccc2C(=O)c2c(S)cccc21,CM,1
O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2cc(S(=O)(=O)O)ccc21,CI,0
Cc1ccc2c(c1S)C(=O)c1ccccc1C2=O,CI,0
CCN(CC)CCOc1ccc2c(c1O)C(=O)c1ccccc1C2=O,CI,0
Nc1c(S)cc(O)c2c1C(=O)c1ccccc1C2=O,CI,0
O=C1c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c2C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c21,CI,0
O=C1c2ccc(S(=O)(=O)O)c(O)c2C(=O)c2ccc(S(=O)(=O)O)c(O)c21,CI,0
Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O,CI,0
CCc1c(O)c2c(c(O)c1C(C)=O)C(=O)c1c(cc(O)c(C(=O)O)c1C(=O)O)C2=O,CI,0
O=C1c2ccccc2C(=O)c2c(NCCCNCCO)ccc(NCCCNCCO)c21,CI,0
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,CI,0
O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21,CI,0
CN(C)CCOc1cccc2c1C(=O)c1ccccc1C2=O,CI,0
O=C1c2ccccc2C(=O)c2c(O)c(NCCNCCO)cc(O)c21,CI,0
O=C1c2ccccc2C(=O)c2c(O)c(NCCCNCCO)cc(O)c21,CI,0
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCCO)ccc(NCCCCO)c21,CM,1
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCO)ccc(NCCCO)c21,CM,1
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCCCO)ccc(NCCCCCO)c21,CI,0
O=C1c2ccccc2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21,CI,0
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21,CI,0
O=C1c2cccc(NCCCNCCO)c2C(=O)c2cccc(NCCCNCCO)c21,CI,0
O=C1c2cccc(NCCNCCO)c2C(=O)c2cccc(NCCNCCO)c21,CI,0
Nc1c(O)c(S(=O)(=O)O)c(O)c2c1C(=O)c1ccccc1C2=O,CM,1
CCOC(=O)CCC(=O)Oc1ccc2c(c1OC(=O)CCC(=O)OCC)C(=O)c1ccccc1C2=O,CI,0
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,CI,0
O=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,CI,0
COc1cc(OC)c2c(c1)C(=O)c1ccccc1C2=O,CI,0
O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21,CI,0
COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O,CI,0
COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,CI,0
COCCOCCOCCOc1cccc2c1C(=O)c1c(OCCOCCOCCOC)cccc1C2=O,CI,0
COCCOCCOCCOc1cccc2c1C(=O)c1cccc(OCCOCCOCCOC)c1C2=O,CI,0
Cc1c(C)c([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O,CI,0
COC(=O)C=CC=Cc1ccc2c(c1OC)C(=O)c1ccccc1C2=O,CI,0
CCOC(=O)Cc1ccc2c(c1O)C(=O)c1c(ccc(CC(=O)OCC)c1O)C2=O,CI,0
Cc1cc(C)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O,CI,0
COc1c(CC(C)=O)ccc2c1C(=O)c1ccc(C=O)c(OC(C)=O)c1C2=O,CI,0
CC(=O)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O,CI,0
COC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O,CI,0
Cc1cc2c(c(N)c1C)C(=O)c1ccccc1C2=O,CI,0
CCCC(O)C(O)c1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O,CI,0
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,CI,0
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,CI,0
O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21,CI,0
O=C1c2cccc(O)c2C(=O)c2cccc(O)c21,CI,0
O=C(O)Cc1ccc2c(c1O)C(=O)c1c(ccc(CC(=O)O)c1O)C2=O,CI,0
CC(=O)O.CCN(CC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN(CC)CC)cc1C2=O,CI,0
CC(=O)O.CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CC)CC)cc1C2=O,CI,0
O=C(CCN(CCO)CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CCO)CCO)cc1C2=O,CI,0
NC(CS)C(=O)NCCNCCNc1ccc(NCCNCCNC(=O)C(N)CS)c2c1C(=O)c1c(O)ccc(O)c1C2=O,CI,0
CC(C)=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,CI,0
NCC(CS)C(=O)NC(CS)C(=O)NC(CS)C(=O)NCCNc1ccc(NCCNC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CN)CS)c2c1C(=O)c1c(O)ccc(O)c1C2=O,CI,0
Cc1c([N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O,CI,0
Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O,CI,0
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNC(=O)C(O)C(O)C(O)C(O)CO)ccc(NCCNC(=O)C(O)C(O)C(O)C(O)CO)c21,CI,0
NCCCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCCCN)c2c1C(=O)c1ccccc1C2=O,CI,0
CSCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCSC)c2c1C(=O)c1ccccc1C2=O,CI,0
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCNc1ccc(NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O,CI,0
CN(C)CC(NC(NCS)C(=O)NCCNc1ccc(NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O)OCCl,CI,0
CC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1,CI,0
O=C1C2c3[nH]c4ccccc4c3C3CCCCC3C2C(=O)N1c1ccccc1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CM,1
COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1,CM,1
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(F)cc4)C(=O)C3C2C1,CI,0
COc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccccc2)C(=O)C31,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccc(Br)cc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(Br)cc4)C(=O)C3C2C1,CI,0
CSc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CC(C)CC(C)C4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CC(C)(C)CC(C)(C)C4C3C2=O)cc1,CI,0
CCOc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccccc1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1OC,CI,0
CC(=O)c1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4c(c5ccccc5n4C)C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c(C)c1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CA,1
COc1ccc(N2C(=O)C3c4[nH]c5cc(Cl)ccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(Cl)cc4)C(=O)C3C2C1,CI,0
CCC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(OC)cc4)C(=O)C3C2C1,CM,1
COc1ccc(N2C(=O)C3c4[nH]c5ccc([N+](=O)[O-])cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5cccc(C)c5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5cc(C)ccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5c(C)cccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(F)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(Br)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C)CC4C3C2=O)c1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C)CC4C3C2=O)cc1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4Cl)C(=O)C3C2C1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)C3C2C1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)C3C2C1,CI,0
COc1cc([N+](=O)[O-])ccc1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(C#N)cc4)C(=O)C3C2C1,CI,0
Cc1cccc(C)c1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cccc(Cl)c4)C(=O)C3C2C1,CI,0
Cc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1C,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)C3C2C1,CI,0
CC(=O)Oc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)C3C2C1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3C2C1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5c(C)cccc5c4C4CCC(C(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5cccc(Cl)c5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3C2C1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4C(C)CCCC4C3C2=O)cc1,CI,0
CCC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(OC)cc4)C(=O)C3C2C1,CI,0
Cc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
Cc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1,CI,0
Cc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
Cc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1F,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C(C)C)cc1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1Cl,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2ccccc2)c1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C)cc1,CI,0
COc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)NC(C)=C1C(=O)Nc1ccccc1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1OC,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2O)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1[N+](=O)[O-],CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2C)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
COc1cc(C2C(C(=O)Nc3ccccc3)=C(C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
COc1cc(C2C(C(=O)Nc3ccccc3C)=C(C)NC(C)=C2C(=O)Nc2ccccc2C)ccc1O,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc([N+](=O)[O-])cc1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
CC(=O)Nc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)NC(C)=C2C(=O)Nc2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)NC(C)=C2C(=O)Nc2ccccc2C)cc1,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccccc2O)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(N(C)C)cc1,CI,0
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2F)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccc(O)cc2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1,CI,0
CCc1cccc(CC)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc([N+](=O)[O-])cc1,CI,0
CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1,CI,0
CCc1cccc(CC)c1NC(=O)C1=CNC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc(O)c(OC)c1,CI,0
CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccccc2Cl)C(C(=O)Nc2c(C)cccc2C)=C(C)N1,CI,0
CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc([N+](=O)[O-])cc1,CI,0
CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccccc2)cc1,CI,0
CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(Cl)c(Cl)c2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccccc2F)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1,CI,0
COc1cc(C2C(C(=O)Nc3ccc([N+](=O)[O-])cc3)=C(C)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O,CI,0
CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1,CI,0
CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc([N+](=O)[O-])cc1,CI,0
CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1cccc([N+](=O)[O-])c1,CI,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2O)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2F)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccccc1Cl,CI,0
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccc(NC(C)=O)cc1,CI,0
CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1,CI,0
CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc(O)c(OC)c2)cc1,CI,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0
CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1cccc([N+](=O)[O-])c1,CI,0
CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc(NC(C)=O)cc1,CI,0
COc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)=C(C)NC(C)=C2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O,CI,0
COc1cc(C2C(C(=O)Nc3cc(F)c(F)cc3F)=C(C)NC(C)=C2C(=O)Nc2cc(F)c(F)cc2F)ccc1O,CI,0
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1,CI,0
Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CI,0
Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)cc2)cc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)cc1,CI,0
O=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1,CI,0
COc1ccc(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1.[NaH],CI,0
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1.[NaH],CI,0
Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1,CI,0
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1,CI,0
O=C(O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Nc1ccccc1S(=O)(=O)N(CC(=O)O)c1ccccc1,CI,0
Nc1cccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)c1,CI,0
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1,CI,0
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1,CI,0
O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
O=C(O)CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1,CI,0
Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1,CI,0
Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1,CI,0
Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1,CI,0
O=C(O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1,CI,0
O=C(O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1,CI,0
O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CI,0
O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1,CI,0
O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,CI,0
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1,CI,0
CCc1cccc(C)c1NS(=O)(=O)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1,CI,0
CC(C)(C)c1ccccc1NS(=O)(=O)c1ccccc1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1,CI,0
Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=O,CI,0
N#CCCN(c1ccc(C=O)cc1)S(=O)(=O)c1ccccc1,CI,0
CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CM,1
Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-],CM,1
CN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1,CI,0
CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CI,0
Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1,CI,0
CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1,CI,0
COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CI,0
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CI,0
CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1,CM,1
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccccc2)c1,CI,0
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CSC(=NN=C(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)SC,CI,0
CSC(=S)NN=C(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CI,0
CCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CI,0
OCC12C3C4C5C3C1C5C42,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)O,CI,0
COC(=O)C12C3C4C1C1C2C3C41I,CI,0
CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C#N)C(C)C,CI,0
OCC12C3C4C1C1C2C3C41CO,CI,0
O=C(O)CC12C3C4C5C3C1C5C42,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)C,CI,0
O=C(O)C12C3C4C1C1C2C3C41I,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41I)C(C)C,CI,0
CN(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1(C(=O)O)C1C2C3(C(=O)O)C41C(=O)N(C)C(C)(C)C)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1(I)C1C2C3(I)C41C(=O)N(C(C)C)C(C)C)C(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C)C(C)(C)C)C(C)(C)C,CI,0
CN(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C#N)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)C,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)C,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(I)C5C42I)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42C#N)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C(=O)O)C(C1C35I)C42C(=O)O)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42I)C(C)C,CI,0
COC(=O)C12C3C4C5C3(C#N)C1C5(C(=O)OC)C42C(=O)N(C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)C,CI,0
CN(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C#N)C5C42)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5C42)C(C)C,CI,0
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5(C#N)C42)C(C)C,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)OC(C)(C)C,CI,0
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C#N)C(C)C,CI,0
COC(=O)C12C3C4C5(C(=O)OC)C(C1C35C(=O)N(C(C)C)C(C)C)C42C(=O)N(C(C)C)C(C)C,CI,0
NC(=O)C12C3C4C1C1C2C3C41C(N)=O,CI,0
O=C(NO)C12C3C4C1C1C2C3C41C(=O)NO,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41I)C(C)(C)C,CI,0
CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41I,CI,0
O=C(CC12C3C4C1C1C2C3C41CC(=O)NO)NO,CI,0
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)(C)C,CI,0
CC(C)N(C)C(=O)C12C3C4C1C1C2C3C41C#N,CI,0
CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)C,CI,0
O=C(O)C12C3C4C1C1C2C3C41C(=O)O,CI,0
COC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)CC(=O)O,CI,0
CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41NC(=O)OC(C)(C)C,CI,0
CC(C)N(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)C,CI,0
COC(=O)C12C3C4(C(=O)OC)C1C1(C(=O)OC)C2C3(C(=O)OC)C41C(=O)N(C(C)C)C(C)C,CI,0
CC(C)N(C(=O)C12C3(C(=O)OC(C)(C)C)C4C5(C#N)C3C1(C(=O)OC(C)(C)C)C5C42C(=O)OC(C)(C)C)C(C)C,CI,0
CN(C(=O)C12C3C4(C(=O)O)C1(C(=O)N(C)C(C)(C)C)C1C2(C(=O)O)C3(C(=O)N(C)C(C)(C)C)C14C(=O)N(C)C(C)(C)C)C(C)(C)C,CI,0
CN(C(=O)C12C3(C(=O)O)C4C5(C(=O)O)C3C1(C(=O)O)C5C42C(=O)O)C(C)(C)C,CI,0
CC(=O)OC12C3C4C1C1C2C3C41OC(C)=O,CI,0
CC12C3C4C1C1C2C3C41CO,CI,0
O=C(O)C12C3C4(C(=O)O)C1C1(C(=O)O)C2C3(C(=O)O)C41,CI,0
COc1cc(N(C)C)c(OC)cc1C=C1Cc2ccccc2C1=O,CI,0
O=C1C(=Cc2ccccc2O)Cc2ccccc21,CI,0
COc1cc(C=C2Cc3ccccc3C2=O)ccc1O,CI,0
CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,CI,0
COc1ccc(C=C2Cc3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc(F)cc2)Cc2ccccc21,CI,0
COc1ccccc1C=C1Cc2ccccc2C1=O,CI,0
COc1cccc(C=C2Cc3ccccc3C2=O)c1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)Cc2ccccc21,CI,0
O=C1C(=Cc2cccc(F)c2)Cc2ccccc21,CI,0
O=C1C(=Cc2cccc(Cl)c2)Cc2ccccc21,CI,0
O=C1C(=Cc2ccccc2F)Cc2ccccc21,CI,0
O=C1C(=Cc2ccccc2Cl)Cc2ccccc21,CI,0
N#Cc1cccc(C=C2Cc3ccccc3C2=O)c1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21,CI,0
CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1Br,CI,0
COc1ccc(C=C2Cc3ccccc3C2=O)cc1OC,CI,0
COc1cc(C=C2Cc3ccccc3C2=O)cc(OC)c1OC,CI,0
COC(=O)c1ccc(C=C2Cc3ccccc3C2=O)cc1,CI,0
N#Cc1ccc(C=C2Cc3ccccc3C2=O)cc1,CI,0
COc1ccc2c(c1)CC(=Cc1ccc(O)c(OC)c1)C2=O,CI,0
COc1ccc2c(c1)C(=O)C(=Cc1ccccc1)C2,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1)C2,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)C2,CI,0
COC(=O)c1ccccc1C=C1Cc2cccc(C)c2C1=O,CI,0
COC(=O)c1c(C)cccc1C=C1Cc2c(C)cccc2C1=O,CI,0
COC(=O)c1ccccc1C=C1Cc2ccccc2C1=O,CI,0
Cc1ccc(C=C2Cc3cccc(C)c3C2=O)c(C(=O)O)c1,CI,0
COC(=O)c1cc(C)ccc1C=C1Cc2cccc(C)c2C1=O,CI,0
Cc1cc(C)c2c(c1)CC(=Cc1ccccc1C(=O)O)C2=O,CI,0
COC(=O)c1ccccc1C=C1Cc2cc(C)cc(C)c2C1=O,CI,0
Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1C(=O)O)C2,CI,0
COC(=O)c1ccccc1C=C1Cc2c(C)cc(C)cc2C1=O,CI,0
Cc1ccc(C(=O)O)c(C=C2Cc3cc(C)cc(C)c3C2=O)c1,CI,0
Cc1ccc(C=C2Cc3cc(C)c(C)cc3C2=O)c(C(=O)O)c1,CI,0
COC(=O)c1cc(C)ccc1C=C1Cc2cc(C)c(C)cc2C1=O,CI,0
Cc1cc(C)c2c(c1)CC(=Cc1cccc(C)c1C(=O)O)C2=O,CI,0
COC(=O)c1c(C)cccc1C=C1Cc2cc(C)cc(C)c2C1=O,CI,0
Cc1ccc2c(c1C)C(=O)C(=Cc1cccc(C)c1C(=O)O)C2,CI,0
COC(=O)c1c(C)cccc1C=C1Cc2ccc(C)c(C)c2C1=O,CI,0
O=C(O)c1ccccc1C=C1Cc2ccccc2C1=O,CI,0
Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1C(=O)O)C2,CI,0
COC(=O)c1ccccc1C=C1Cc2cc(C)c(C)cc2C1=O,CI,0
Cc1ccc(C(=O)O)c(C=C2Cc3ccc(C)cc3C2=O)c1,CI,0
COC(=O)c1ccc(C)cc1C=C1Cc2ccc(C)cc2C1=O,CI,0
Cc1ccc2c(c1C)C(=O)C(=Cc1ccccc1C(=O)O)C2,CI,0
COC(=O)c1ccccc1C=C1Cc2ccc(C)c(C)c2C1=O,CI,0
Cc1cccc2c1C(=O)C(=Cc1ccccc1C(=O)O)C2,CI,0
Cc1ccc(C=C2Cc3c(C)cc(C)cc3C2=O)c(C(=O)O)c1,CI,0
COC(=O)c1cc(C)ccc1C=C1Cc2c(C)cc(C)cc2C1=O,CI,0
Cc1ccc(C)c2c1CC(=Cc1ccccc1C(=O)O)C2=O,CI,0
Cc1cccc2c1CC(=Cc1cccc(C)c1C(=O)O)C2=O,CI,0
Cc1ccc2c(c1)CC(=Cc1ccccc1C(=O)O)C2=O,CI,0
O=C1C(=Cc2cccc(Br)c2)Cc2ccccc21,CI,0
O=C1C(=Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21,CI,0
NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1,CI,0
O=C(O)c1ccc(S(=O)(=O)O)o1,CI,0
NC(=O)NC(=O)c1ccco1,CI,0
CCCCNC(C)(C)C(SSSC(C)=O)c1ccco1,CI,0
Cc1oc(NC(=O)C(=O)O)c(C#N)c1C,CI,0
CCC[N+]([O-])=Cc1ccc([N+](=O)[O-])o1,CI,0
O=[N+]([O-])c1ccc(C=[N+]([O-])CCO)o1,CI,0
CC(C)CCC(=O)c1ccoc1,CI,0
CC(O)CCC(=O)c1ccoc1,CI,0
COC(=O)c1oc([N+](=O)[O-])c(Cl)c1Cl,CI,0
O=C(O)c1cocc1C(=O)O,CI,0
CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)oc1C,CI,0
COC(=O)C=C(C)C=Cc1cc(C(C)=O)c(C)o1,CI,0
CC(C)=CCCC(=CCCC(C)=CCCc1ccoc1)C(=O)O,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccco1,CA,1
CCOC(=O)C(=Cc1ccco1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(C#N)=Cc1ccco1,CI,0
CCOC(=O)C(=Cc1ccco1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccco1)C(C)=O,CI,0
CC(=O)C=Cc1ccco1,CI,0
CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])o1,CI,0
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])o1,CI,0
COP(=O)(OC)C(C#N)=Cc1ccoc1,CI,0
CCOP(=O)(OCC)C(C#N)=CC=Cc1ccco1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(C)o1,CI,0
CCOC(=O)C(=Cc1ccc(C)o1)P(=O)(OCC)OCC,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(CO)o1,CI,0
CCOCc1ccc(C=C(C#N)P(=O)(OCC)OCC)o1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccoc1,CI,0
COP(=O)(OC)C(C#N)=Cc1ccco1,CI,0
CCOC(=O)C(=Cc1ccoc1)P(=O)(OCC)OCC,CI,0
CCCCOP(=O)(OCCCC)C(C#N)=Cc1ccco1,CI,0
OC(CC(O)(C(F)(F)F)C(F)(F)F)C(O)c1ccco1,CI,0
CCOC(=O)C(=Cc1ccc(CO)o1)P(=O)(OCC)OCC,CI,0
COC(=O)C(=Cc1ccco1)P(=O)(OC)OC,CI,0
COC(=O)C(=C(C)c1ccco1)P(=O)(OC)OC,CI,0
CC(C)OP(=O)(OC(C)C)C(C#N)=Cc1ccco1,CI,0
CCOC(=O)C(C#N)=Cc1ccc(CO)o1,CI,0
CCCCOP(=O)(OCCCC)C(C#N)=Cc1ccc(C)o1,CI,0
COC(=O)C(C#N)=Cc1ccco1,CI,0
N#CC(=Cc1ccco1)C(N)=O,CI,0
CC(=O)O.CC(NO)C(=NO)c1ccco1,CI,0
NC(=S)NNC(=S)NC(=O)c1ccco1,CI,0
N#CC(=CC=Cc1ccco1)C(N)=O,CI,0
CCOP(=O)(OCC)C(C#N)Cc1ccco1,CI,0
CCOP(=O)(OCC)C(C#N)=C(C)c1ccco1,CI,0
CC(C)(NO)C(=NO)c1ccco1,CI,0
Cc1ccc(C=C(C(=O)O)C(=O)O)o1,CM,1
C=C(C(N)=O)c1ccc([N+](=O)[O-])o1,CI,0
CCCCOC(=O)C(O)Cc1ccoc1,CI,0
COP(=O)(Cc1ccc(C=CC#N)o1)OC,CI,0
COC(N)=C(C#N)N=Cc1ccco1,CI,0
Cc1oc(N)c(C#N)c1C,CI,0
NP(=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr,CI,0
C=C(CC(=O)Nc1ccc(C(=O)OC)o1)C(=O)OC,CI,0
COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2C)cc(OC)c1OC.Cl,CI,0
Cc1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1.Cl,CI,0
COc1cc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc(OC)c1OC,CI,0
COc1cc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc(OC)c1OC,CI,0
NC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl,CI,0
COc1cc(Nc2cnc3ccc(N)cc3n2)cc(OC)c1OC,CI,0
COc1cc(Nc2cnc3cc(N)ccc3n2)cc(OC)c1OC,CI,0
Nc1ccc2nc(Nc3ccc(F)cc3)cnc2c1,CI,0
Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)cnc2c1,CI,0
Nc1ccc2ncc(Nc3ccc(F)cc3)nc2c1,CI,0
COc1ccc(Nc2cnc3cc(N)ccc3n2)cc1OC,CI,0
N#Cc1ccc(Nc2cnc3cc(N)ccc3n2)cc1,CI,0
Nc1ccc2ncc(Nc3ccc(Cl)c(Cl)c3)nc2c1,CI,0
N#Cc1ccc(Nc2cnc3ccc(N)cc3n2)cc1,CI,0
CCOC(=O)c1nc2ccccc2nc1Nc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,CM,1
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1,CM,1
CCOC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1,CI,0
O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O,CI,0
O=C(O)c1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1,CI,0
COc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1OC,CI,0
COc1cc(Nc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC,CI,0
O=C(O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0
CCOC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)OCC)cc1,CI,0
CCOC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1)C(=O)OCC,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)cc1,CI,0
O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1)C(=O)O,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1,CI,0
COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1,CI,0
O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1,CI,0
O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1,CI,0
COc1cc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc(OC)c1OC,CI,0
CCOC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1,CI,0
O=C(O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1)C(=O)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1)C(=O)O,CI,0
COc1cc(Nc2cnc3cc(F)c(F)cc3n2)cc(OC)c1OC,CI,0
COc1cc(Nc2cnc3cc(F)c(F)cc3n2)cc(OC)c1,CI,0
CCOC(=O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1,CI,0
O=C(O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1,CI,0
CCOC(=O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1,CM,1
O=C(O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1,CI,0
Oc1ccc(S)cc1CNc1ccccc1,CI,0
CCOC(=O)CC(=O)N(c1ccc(OC)cc1)C(C(=O)OC)c1ccccc1,CI,0
COC(=O)C(Nc1ccc(OC)cc1)c1ccccc1,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NCc2ccccc2)cc1,CI,0
COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,CI,0
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC,CI,0
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC.Cl,CI,0
CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,CI,0
CCCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,CI,0
COc1cc(CNc2ccc(C(C)C)cc2)cc(OC)c1OC.Cl,CI,0
CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,CI,0
COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC,CI,0
COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC.Cl,CI,0
N#CC(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F,CI,0
COC(=O)c1ccccc1NCc1cc(O)ccc1O,CI,0
O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O,CI,0
COC(=O)c1ccc(NCc2cc(OC)ccc2OC)cc1,CI,0
COc1ccc(OC)c(CNc2ccc(C(=O)O)cc2)c1,CI,0
CCOP(C)(=O)C(Nc1ccc(F)cc1)c1ccc(F)cc1,CI,0
CCOP(=O)(OCC)C(Nc1ccc(Cl)cc1)c1ccc(F)cc1,CI,0
CCOP(=O)(OCC)C(Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1,CI,0
CCOP(=O)(OCC)C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1,CI,0
CC(C)OP(=O)(OC(C)C)C(Nc1cccc(C(F)(F)F)c1)c1ccccc1,CI,0
CCOP(=O)(OCC)C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1,CI,0
CCOP(=O)(OCC)C(Nc1ccc(F)cc1)c1ccccc1,CI,0
CCOP(=O)(OCC)C(Nc1cccc(F)c1)c1ccc(N(C)C)cc1,CI,0
CCOP(=O)(OCC)C(Nc1cccc(F)c1)c1ccccc1,CI,0
CCOP(=O)(OCC)C(c1ccccc1)N(C(=O)NC(F)(F)F)c1ccc(C)cc1,CI,0
CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1cccc(C(F)(F)F)c1,CI,0
CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(F)cc1,CI,0
CCOP(=O)(OCC)C(c1ccccc1)N(C(=O)NC(F)(F)F)c1cccc(F)c1,CI,0
CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(OC)cc1,CI,0
CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1,CI,0
CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1,CI,0
CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C,CI,0
CCOC(=O)P(=O)(O)c1ccc(N(C)Cc2ccccc2)cc1.[NaH],CI,0
COC(=O)c1ccc(NCc2c(O)ccc(O)c2Br)cc1Cl,CM,1
CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1Cl,CI,0
COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O,CI,0
COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1,CM,1
Oc1ccc(O)c(CNc2ccc(C(O)C(F)(F)F)cc2)c1,CI,0
CC(C)N(C(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C,CI,0
CC(=O)c1ccc(NCc2cc(O)ccc2O)cc1,CI,0
Cc1cccc2c(=O)c3ccccc3oc12,CI,0
O=c1c2ccccc2oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c12,CI,0
Cc1ccc2oc3ccccc3c(=O)c2c1,CI,0
O=c1c2ccccc2oc2ccccc12,CI,0
O=C(O)c1cccc2c(=O)c3ccccc3oc12,CI,0
COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C,CI,0
COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C,CI,0
O=c1c2ccccc2oc2cc(Br)ccc12,CI,0
O=c1c2ccccc2oc2c(Cl)cc(Cl)cc12,CI,0
Cl[Hg]Cl.O=c1c2ccccc2oc2ccccc12,CI,0
Cc1cc2oc3ccccc3c(=O)c2c(C)c1Cl,CI,0
O=c1c2ccc(Cl)cc2oc2ccc(Cl)cc12,CI,0
O=c1c2cc([N+](=O)[O-])ccc2oc2ccc([N+](=O)[O-])cc12,CI,0
COc1ccc2c(=O)c3ccccc3oc2c1,CI,0
CCCCN(CCCC)CCNc1ccc(Cl)c2oc3cc(C)ccc3c(=O)c12,CI,0
C=CC(C)(C)c1c(OC(C)=O)cc2oc3c(OC(C)=O)c(OC(C)=O)cc(CC=C(C)C)c3c(=O)c2c1O,CI,0
Nc1ccc2oc3cccc(N)c3c(=O)c2c1,CI,0
CCN(CC)CCNc1ccc(CO)c2oc3ccccc3c(=O)c12,CI,0
CCN(CC)CCNc1ccc(CO)c2oc3cc(Cl)ccc3c(=O)c12,CI,0
CC(=O)Nc1ccc2oc3ccc(Cl)cc3c(=O)c2c1,CI,0
Cc1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3oc12,CI,0
CN(C)CCNc1cccc2oc3ccc(O)cc3c(=O)c12,CI,0
CN(C)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12,CI,0
CCN(CC)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12,CI,0
Cc1cc2c(=O)c3ccccc3oc2c(C#N)c1C,CI,0
Cc1cc2c(=O)c3ccccc3oc2c(C(=O)O)c1C,CI,0
O=c1c2cc(Br)ccc2oc2ccc(Br)cc12,CI,0
N#Cc1ccc2oc3ccc(C#N)cc3c(=O)c2c1,CI,0
Cl.N=C(N)c1ccc2oc3ccc(C(=N)N)cc3c(=O)c2c1,CI,0
C=CC(C)(C)c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O,CI,0
O=C(O)Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3oc12.[NaH],CI,0
COc1ccc2oc3c(OC)c(OC)c(OC)cc3c(=O)c2c1,CI,0
Cc1c(N(C)C)ccc2c(=O)c3cccc(CC(=O)O)c3oc12.[NaH],CI,0
COc1ccc(O)c2c(=O)c3cc(O)ccc3oc12,CI,0
COc1cc(OC)c2c(=O)c3cccc(O)c3oc2c1,CI,0
COc1cccc2c(=O)c3ccccc3oc12,CI,0
COc1c(O)ccc2oc3cccc(O)c3c(=O)c12,CI,0
COc1ccc2oc3cc(O)cc(OC)c3c(=O)c2c1O,CI,0
COc1cc2c(=O)c3ccccc3oc2c(O)c1OC,CI,0
COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1,CI,0
COc1c(O)ccc2oc3cc(O)cc(O)c3c(=O)c12,CI,0
O=C(O)Cc1cccc2c(=O)c3ccccc3oc12.[NaH],CI,0
Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12.[NaH],CI,0
Cc1cccc2oc3c(CC(=O)O)cccc3c(=O)c12.[NaH],CI,0
Cc1c(Cl)ccc2c(=O)c3cccc(CC(=O)O)c3oc12.[NaH],CI,0
Cc1cccc2c(=O)c3cccc(C(C)C(=O)O)c3oc12.[NaH],CI,0
CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCN(CCCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCN(CC)CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(=O)OC(C)(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCCCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NO)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCN(CCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CM,1
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOC(C(=O)O)C(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
C=CCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCC=C(C)CCC=C(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=N)N[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCCCCCCN(CCCCCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCCN(CCCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCN(CC)Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCN(CCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCCCN(CCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
COC(OC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CCCNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
CNN=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0
O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O,CI,0
O=C(Nc1ccccc1S)c1ccccc1,CM,1
CN(C(=O)c1ccccc1S)c1ccccc1,CM,1
O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccccc1,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O,CI,0
N#Cc1ccc(N(O)C(=O)c2ccccc2)cc1,CI,0
Nc1ccc(C(=O)Nc2ccccc2N)cc1,CI,0
CCC(C)SSc1ccccc1C(=O)Nc1ccc(Cl)cc1,CI,0
CCCCCCCC(=O)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1,CI,0
CCCCCCCC(=O)c1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1,CI,0
CCCCS(=O)(=O)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1,CI,0
CCCCCCCCS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1,CI,0
COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1,CA,1
O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1,CI,0
O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1,CI,0
CC(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O,CI,0
O=C(O)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CI,0
COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccccc1C(=O)N(C)c1ccc(Cl)c(C(=O)OC(C)C)c1,CI,0
COC(=O)c1cc(O)ccc1NC(=O)c1ccc(O)cc1,CI,0
O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(O)cc1,CI,0
NC(=O)CCC(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O,CI,0
CN(C)CCNC(=O)c1cccc(C(=O)Nc2ccccc2)c1[N+](=O)[O-].Cl,CI,0
CN(C)CCNC(=O)c1cccc(N(C)C(=O)c2ccccc2)c1[N+](=O)[O-].Cl,CI,0
CCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CI,0
CC(C)NC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CI,0
CCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CI,0
CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CI,0
CN(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1[N+](=O)[O-].Cl,CI,0
Cc1ccc(N(C(=O)CC(=O)NN)C(=O)c2ccccc2Cl)cc1,CI,0
CC(C)=NNC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1,CI,0
Cc1ccc(C(=O)Nc2ccccc2)cc1N=NN(C)C,CI,0
CCN(CC)CCN(C(=O)c1ccc(F)cc1)c1ccccc1N,CI,0
NNC(=O)CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1,CI,0
CC(C)(C)c1cc(C(=O)Nc2cc(Br)c(Br)cc2S(N)(=O)=O)cc(C(C)(C)C)c1O,CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1N,CI,0
CCCC(=O)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1,CM,1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)=O)cc1,CM,1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCCBr)cc1,CA,1
CCN(CC)CCNc1c(OC)c(OC)cc2nccnc12.O=P(O)(O)O,CI,0
Cc1nc2c(O)ccc(O)c2nc1C,CI,0
Sc1nc2ccccc2nc1S,CI,0
Cc1nc2cc(Cl)cc(N)c2nc1C,CI,0
CCc1nc2c(O)ccc(O)c2nc1C,CI,0
Oc1nc2ccccc2nc1CBr,CI,0
COc1ccc2nc(CI)c(CI)nc2c1,CI,0
CCOC(=O)C(O)=Cc1nc2ccccc2nc1C,CI,0
COc1cc(N)c2nc(C(O)C(O)C(O)CO)cnc2c1,CI,0
CC(C)=CC(=O)Cc1nc2cc(C)c(C)cc2nc1O,CI,0
Cc1nc2c(O)cc(Br)c(O)c2nc1C,CI,0
Cc1nc2c(O)cc(Cl)c(O)c2nc1C,CI,0
CCOC(=O)C(=O)Cc1cnc2ccccc2n1,CI,0
Cc1cc2nc(O)c(CCC(=O)O)nc2cc1C,CI,0
Cc1nc2ccc(N)cc2nc1O,CI,0
CS(=O)(=O)C(C#N)c1nc2ccccc2nc1Cl,CI,0
NC(=S)NC=Cc1nc2ccccc2nc1O,CI,0
CC(=S)NC=Cc1nc2ccccc2nc1O,CI,0
CC(=O)NNC(=S)NC=Cc1nc2ccccc2nc1O,CI,0
NC(=S)C(=S)NC=Cc1nc2ccccc2nc1O,CI,0
Nc1nc2ccccc2nc1N,CI,0
CCNc1nc2ccccc2nc1NCC,CI,0
Nc1cc2nc(O)c(O)nc2cc1N,CI,0
CCOC(=O)c1nc2cc(Cl)ccc2nc1O,CI,0
O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1O,CI,0
O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1O,CI,0
O=C(O)c1nc2cc(Cl)ccc2nc1O,CI,0
O=C(O)c1nc2ccc(Cl)cc2nc1O,CI,0
Cc1ccc2nc(C(=O)O)c(O)nc2c1,CI,0
CCOC(=O)c1nc2cc(F)cc(F)c2nc1O,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1O,CI,0
CCOC(=O)C(C)c1nc2cc(C(F)(F)F)ccc2nc1O,CI,0
CCOC(=O)C(C)c1nc2ccc(C(F)(F)F)cc2nc1O,CI,0
CCOC(=O)C(C)c1nc2cc(F)c(F)cc2nc1O,CI,0
CCOC(=O)Cc1nc2cc(F)c(F)cc2nc1O,CI,0
CCc1nc2ccc(C(F)(F)F)cc2nc1O,CI,0
CCc1nc2cc(F)ccc2nc1O,CI,0
Cc1nc2cc(F)c(F)cc2nc1O,CI,0
Cc1nc2cc(C(F)(F)F)ccc2nc1O,CI,0
Cc1ccc2nc(C(C)C)c(O)nc2c1,CI,0
CC(C)c1nc2cc(C(F)(F)F)ccc2nc1O,CI,0
CC(C)(C)C(O)=Cc1nc2ccc(C(F)(F)F)cc2nc1O,CI,0
CC(C)(C)C(O)=Cc1nc2cc(C(F)(F)F)ccc2nc1O,CI,0
Oc1nc2cc(C(F)(F)F)ccc2nc1CBr,CI,0
CC(C)(C)C(O)=Cc1nc2cc(F)c(F)cc2nc1O,CI,0
CC(O)=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(=O)OCC=C(C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
BrCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=CCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
N#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=C=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CS(=O)(=O)NC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
N#CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(=O)OC(C)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
N#CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C[PH](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
CCOC(=O)C[PH](c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1,CI,0
CCOC(=O)C[PH](c1cccc(OC)c1)(c1cccc(OC)c1)c1cccc(OC)c1,CI,0
CCOC(=O)C[PH](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
CCOC(=O)C[PH](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1,CI,0
COC(=O)C(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(O)CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
ClCC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(C)=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
BrCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCCCCC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
FC(F)(F)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(NC(=O)OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O,CI,0
CC(C)CC(NC(=O)OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O,CI,0
CCC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cc1cc(O)cc(O)c1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
CCOc1ccc(N=Nc2ccc(N)cc2N)cc1,CI,0
O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O,CI,0
Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)c(NCC(O)C(O)C(O)CO)cc1C,CI,0
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1,CI,0
O=[As](O)(O)c1ccc(N=Nc2ccc(O)cc2)cc1,CI,0
O=S(=O)(O)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1,CI,0
Cc1cc(N=Nc2ccccc2)ccc1NCS(=O)(=O)O,CI,0
COc1cc(N=Nc2ccccc2)ccc1NCS(=O)(=O)O,CI,0
O=[N+]([O-])c1ccc(N=Nc2c(F)cc(NCS(=O)(=O)O)cc2F)cc1,CI,0
O=[N+]([O-])c1ccc(N=Nc2ccc(N=C=S)cc2)cc1,CI,0
Cc1cc(N(CCCl)CCCl)ccc1N=Nc1ccccc1,CI,0
CS(=O)CCN=Cc1ccc(N=Nc2ccc(O)cc2)cc1,CI,0
N=C(N)c1ccc(N=Nc2ccc(N)cc2N)cc1,CI,0
COc1cc(N=Nc2ccccc2)cc(C=NNC(N)=S)c1O,CI,0
CC(SC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)O,CI,0
O=C(O)CSC(=O)Nc1ccc(N=Nc2ccccc2)cc1,CI,0
O=C(O)CCCSC(=O)Nc1ccc(N=Nc2ccccc2)cc1,CI,0
COc1cc(N=Nc2ccccc2C(=O)O)cc(C=NNNC(N)=S)c1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cccc(Cl)c1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc(C(=O)O)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cccc(C(=O)O)c1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccccc1[N+](=O)[O-],CI,0
CCOC(=O)c1ccc(N=Nc2ccc(N(CCC#N)CCC#N)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc(Br)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc(S(N)(=O)=O)cc1,CI,0
Cc1ccc(N=Nc2ccc(N(CCC#N)CCC#N)cc2C)c(Br)c1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cc(Cl)ccc1Cl,CI,0
COc1cc(NCC(C#N)C#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
COc1cc(NCC(C#N)C#N)ccc1N=Nc1ccc(Cl)cc1,CI,0
CN(C)Cc1cc(N=Nc2ccccc2)ccc1O,CI,0
CN(C)Cc1cc(N=Nc2ccccc2Cl)ccc1O,CI,0
CN(C)Cc1cc(N=Nc2cccc(Cl)c2)ccc1O,CI,0
CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)ccc1O,CI,0
CN(C)Cc1cc(N=Nc2c(Cl)cccc2Cl)ccc1O,CI,0
Cc1cccc(N=Nc2ccc(O)c(CN(C)C)c2)c1,CI,0
Cc1ccc(N=Nc2ccc(O)c(CN(C)C)c2)cc1,CI,0
Cc1ccc(N=Nc2ccc(O)c(CN(C)C)c2)cc1C,CI,0
Cc1cccc(C)c1N=Nc1ccc(O)c(CN(C)C)c1,CI,0
CN(C)Cc1cc(N=Nc2ccccc2Cl)cc(CN(C)C)c1O,CI,0
CN(C)Cc1cc(N=Nc2ccccc2)cc(CN(C)C)c1O.Cl,CI,0
CN(C)Cc1cc(N=Nc2ccc(Cl)c(Cl)c2)ccc1O,CI,0
CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)cc(CN(C)C)c1O.Cl,CI,0
N#CC(C#N)=Cc1ccc(SCc2ccc(Cl)cc2)cc1,CI,0
N#CC(Sc1ccccc1)c1ccccc1,CI,0
CCOC(=O)C(NO)C(Sc1ccccc1)c1ccc(OC)cc1,CI,0
COC(=O)c1ccc(CSc2ccccc2)cc1,CI,0
COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1,CI,0
COC(=O)c1ccc(CSc2ccccc2C(=O)O)cc1,CI,0
COC(=O)c1ccc(CSc2ccccc2C(=O)OC)cc1,CI,0
O=C(O)c1ccc(CSc2ccccc2)c([N+](=O)[O-])c1,CI,0
COc1ccc(SCc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
O=C(O)c1ccc(CSc2ccc(Cl)cc2)c([N+](=O)[O-])c1,CI,0
O=C(O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
Nc1ccc(SCc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
O=C(O)c1ccc(CSc2ccccc2C(=O)O)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CSc2ccc(Cl)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2C(=O)O)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2C(=O)OCC)c([N+](=O)[O-])c1,CI,0
COc1ccc(SCc2ccc(C(=O)O)cc2)cc1,CI,0
O=C(O)c1ccc(CSc2ccc(Cl)cc2)cc1,CI,0
O=C(O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1,CI,0
Nc1ccc(SCc2ccc(C(=O)O)cc2)cc1,CI,0
O=C(O)c1ccc(CSc2ccccc2C(=O)O)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2C(=O)O)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2C(=O)OCC)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CSc2ccc(OC)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CSc2ccc(N)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CSc2ccccc2)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccc(OC)cc2)cc1,CI,0
CCOC(=O)c1ccc(CSc2ccc(N)cc2)cc1,CI,0
COC(=O)c1ccc(CSc2ccc(OC)cc2)cc1,CI,0
COC(=O)c1ccc(CSc2ccc(N)cc2)cc1,CI,0
O=[N+]([O-])c1ccccc1SCc1ccccc1,CI,0
CC(C)C(=O)CC(Sc1ccc(N)cc1)c1ccccc1.Cl,CI,0
COc1ccc(SCc2cc(OC)ccc2OC)cc1,CI,0
Oc1ccc(SCc2cc(O)ccc2O)cc1,CI,0
COc1cc(CSc2ccc(O)cc2)cc(OC)c1OC,CI,0
COc1cc(CSc2ccc(O)cc2)cc(O)c1O,CI,0
Oc1ccc(SCc2cc(O)c(O)c(O)c2)cc1,CI,0
COc1ccc(SCc2cc(OC)c(OC)c(OC)c2)cc1OC,CI,0
COc1ccc(OC)c(CSc2ccc(OC)c(OC)c2)c1,CI,0
O=C(O)c1ccccc1SCc1cc(O)ccc1O,CI,0
Sc1cnnc2ccccc12,CI,0
COc1cc2nncc(S)c2cc1OC,CM,1
COc1cc2nncc(Cl)c2cc1OC,CI,0
CSc1cnnc2ccccc12,CI,0
COc1cc2nncc(SC)c2cc1OC,CI,0
Oc1cnnc2ccc(F)cc12,CI,0
Sc1ccc2nncc(S)c2c1,CI,0
CSc1ccc2nncc(SC)c2c1,CI,0
Oc1cc2c(Cl)cccc2nn1,CI,0
Oc1cc2ccc(Cl)cc2nn1,CI,0
CCN(CC)CCCNc1cnnc2cc(Cl)ccc12,CI,0
O=C(O)c1cnnc2ccccc12,CI,0
Fc1cccc2c(S)cnnc12,CI,0
Sc1cnnc2c(Cl)cccc12,CI,0
Sc1cnnc2c(Br)cccc12,CI,0
Oc1cnnc2ccccc12,CI,0
Cc1nnc2ccccc2c1O,CI,0
OCC(CO)c1cnnc2ccccc12,CI,0
Oc1cnnc2c(Cl)cccc12,CI,0
Oc1cnnc2c(F)cccc12,CI,0
Oc1cnnc2ccc(Br)cc12,CI,0
Sc1cnnc2ccc(Br)cc12,CI,0
Oc1cnnc2c(Br)cccc12,CI,0
Oc1cnnc2cccc(Cl)c12,CI,0
Cc1nnc2ccc(Br)cc2c1O,CI,0
Oc1cnnc2c(Br)cc(Br)cc12,CI,0
Oc1cnnc2cc(Cl)ccc12,CI,0
Cc1nnc2ccc([N+](=O)[O-])cc2c1O,CI,0
CS(=O)(=O)c1cnnc2ccccc12,CI,0
COc1cnnc2ccccc12,CI,0
Oc1nnc2ccccc2c1Cl,CI,0
OC(Cc1cnnc2ccccc12)C(Cl)(Cl)Cl,CI,0
Cc1cc2nnc(C(N)=O)c(N)c2cc1C,CI,0
NC(=O)c1nnc2ccc(F)cc2c1N,CI,0
NC(=O)c1nnc2cc(F)ccc2c1N,CI,0
NC(=O)c1nnc2cc(F)c(F)cc2c1N,CI,0
NC(=O)c1nnc2c(F)cccc2c1N,CI,0
Nc1c(C(=O)O)nnc2ccc(Cl)cc12,CI,0
Nc1c(C(=O)O)nnc2cc(Cl)ccc12,CI,0
Nc1c(C(=O)O)nnc2cc(Cl)c(Cl)cc12,CI,0
CC(C)=NNc1cnnc2ccc([N+](=O)[O-])cc12,CI,0
O=[N+]([O-])c1cccc2nnccc12,CI,0
Nc1cccc2nnccc12,CI,0
COc1ccc(C(=O)c2ccccc2)c(O)c1,CI,0
Cc1ccccc1C(=O)c1ccccc1C(=O)O,CI,0
O=C(O)c1ccc(C(=O)O)c(C(=O)c2cc(C(=O)O)ccc2C(=O)O)c1,CI,0
COc1ccc(C(=O)c2ccccc2O)c(O)c1,CI,0
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O,CI,0
O=C(O)c1ccccc1C(=O)c1ccc(F)cc1,CI,0
CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CI,0
O=Nc1ccc(Cl)cc1C(=O)c1ccccc1,CI,0
CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,CI,0
COc1c(C(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)cc1C(C)(C)C,CI,0
COc1c(Cl)cc(C(=O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0
COc1c(Br)cc(C(=O)c2cc(Br)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0
C#CCN(C(=O)C(F)(F)F)c1ccc(C(=O)c2ccc(N(CC#C)C(=O)C(F)(F)F)cc2)cc1,CI,0
CN(c1ccc(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1)S(C)(=O)=O,CI,0
N.O=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1,CI,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O.N,CI,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C,CI,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)OC)c2)cc1S(=O)(=O)OC,CI,0
COc1ccc(S(=O)(=O)O)cc1C(=O)c1cc(S(=O)(=O)O)ccc1OC.N,CI,0
COc1ccc(S(=O)(=O)OC)cc1C(=O)c1cc(S(=O)(=O)OC)ccc1OC,CI,0
COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)OC)c1OC,CI,0
COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)O)c1OC.N,CI,0
COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C)c1OC,CI,0
COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC,CI,0
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O.N,CI,0
COc1c(C(=O)c2cc(Cl)cc(S(=O)(=O)N(C)C=O)c2OC)cc(Cl)cc1S(=O)(=O)N(C)C=O,CI,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C=O)c2)cc1S(=O)(=O)N(C)C=O,CI,0
CN(C)CCNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl,CI,0
COC(=O)c1cc(C(=O)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC,CI,0
CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O,CI,0
CCOC(=O)C(O)C(O)C(=O)NCc1ccc(C(=O)c2ccccc2)cc1,CI,0
COC(=O)C(CCSC)NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1,CI,0
CSCCC(NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O,CI,0
O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O,CI,0
O=C(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1,CI,0
COc1c(C)cc(C(=O)c2cc(C)c(OC)c(Br)c2)cc1Br,CI,0
COc1cc(C(=O)O)c(C(=O)c2ccc(C#N)cc2)cc1OC,CI,0
COc1cc(C(=O)O)c(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC,CI,0
COc1cc(CC(=O)O)c(C(=O)c2cccc([N+](=O)[O-])c2)cc1OC,CI,0
COc1cc(CC(=O)O)c(C(=O)c2ccc(C#N)cc2)cc1OC,CI,0
COc1cc(CC(=O)O)c(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC,CI,0
COC(=O)c1cc(C(=O)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC,CI,0
COC(=O)c1cc(C(=O)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC,CI,0
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,CI,0
COc1cc(C)cc2c1OC(c1ccccc1)CC2=O,CI,0
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,CI,0
COc1cc(C2CC(=O)c3ccccc3O2)ccc1O,CI,0
O=C1c2cc(O)c(O)cc2OC(c2ccc(O)c(O)c2)C1O,CI,0
COc1ccc(C2CC(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3O2)cc1OC(C)=O,CI,0
COc1ccc(C2CC(=O)c3cc(OC)ccc3O2)cc1,CI,0
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21,CI,0
COc1ccc2c(c1)C(=O)CC(c1ccccc1)O2,CI,0
COc1ccc(C2CC(=O)c3ccccc3O2)cc1OC,CI,0
COc1ccc2c(c1)C(=O)CC(c1ccccc1OC)O2,CI,0
COc1ccc(C2CC(=O)c3ccccc3O2)cc1,CI,0
COc1ccc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc1,CI,0
O=C1c2ccccc2OC(Cl)(c2ccccc2)C1Cl,CI,0
COc1cc2c(c(OC)c1O)C(=O)CC(c1ccc(O)cc1)O2,CI,0
COc1ccc(C2CC(=O)c3c(cc(OC)c(O)c3OC)O2)cc1,CI,0
O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O,CI,0
O=C1c2ccc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O,CI,0
COc1c(OC)c(OC)c2c(c1OC)OC(c1ccc(O)cc1)CC2=O,CI,0
CS(=O)(=O)NC1C(=O)c2ccccc2OC1c1ccccc1,CI,0
COc1ccc(C2Oc3ccccc3C(=O)C2N)cc1,CI,0
COC1(O)C(=O)c2ccccc2OC1(OC)c1ccccc1,CI,0
COC1(c2ccccc2)Oc2ccccc2C(=O)C1(O)C[N+](=O)[O-],CI,0
COc1ccc(C2(OC)Oc3ccccc3C(=O)C2(O)O)cc1,CI,0
COc1ccc(C2(OC)Oc3cc(OC)ccc3C(=O)C2(O)OC)cc1,CI,0
COC1(O)C(=O)c2ccccc2OC1(OC)c1ccc(Cl)cc1,CI,0
COc1ccc2c(c1)OC(OC)(c1ccc(OC)c(OC)c1)C(O)(OC)C2=O,CI,0
COc1ccc(C2(OC)Oc3cc(OC)ccc3C(=O)C2(O)O)cc1,CI,0
COc1ccc2c(c1)OC(OC)(c1ccccc1)C(O)(OC)C2=O,CI,0
CCOC1(O)C(=O)c2ccccc2OC1(OCC)c1ccccc1,CI,0
COc1ccc(C2(OC)Oc3ccccc3C(=O)C2(O)OC)cc1OC,CI,0
Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2,CI,0
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2O)C1O,CI,0
CC(C)=CCc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O,CI,0
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=O,CI,0
COc1c(C)c(O)c2c(c1C)OC(c1ccccc1)CC2=O,CI,0
COc1cc2c(c(O)c1C)C(=O)CC(c1ccccc1)O2,CI,0
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,CI,0
CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)CC2=O,CI,0
COc1ccc2c(c1)OC(c1ccccc1O)CC2=O,CI,0
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,CI,0
COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,CI,0
C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c2c1OC(c1ccc(O)cc1O)C(O)C2=O,CI,0
Cc1cccc(Nc2nc(N)nc(N)c2N=O)c1,CI,0
Cc1ccc(Nc2nc(N)nc(O)c2N=O)cc1,CI,0
Nc1nc(O)c(N=O)c(Nc2ccc(Cl)c(Cl)c2)n1,CI,0
Nc1nc(N)c(N)c(Nc2ccccc2)n1.O=S(=O)(O)O,CI,0
Nc1nc(O)nc(Nc2ccc(Cl)c(Cl)c2)c1N=O,CI,0
Cc1cc(Br)ccc1Nc1nc(N)nc(N)c1N=O,CI,0
Nc1nc(N)c(N=O)c(Nc2ccc(Br)c(Br)c2)n1,CI,0
CCCCNc1cc(Nc2ccc(Br)cc2)nc(N)n1,CI,0
CCCCNc1nc(N)nc(Nc2ccc(Br)cc2)c1N=O,CI,0
N#Cc1c(N)nc(N)nc1Nc1ccc(I)cc1,CI,0
Nc1nc(N)c(Br)c(Nc2ccc(Cl)c(Cl)c2)n1,CM,1
CN(C)c1nc(N)nc(Nc2ccc(Br)cc2)c1N=O,CI,0
CNc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1,CI,0
Nc1nc(N)c(N=O)c(Nc2ccc(O)cc2)n1,CI,0
Cc1ccc(Nc2nc(N)nc(N)c2N=O)cc1C,CI,0
Nc1nc(N)c(N=O)c(Nc2cccc(Br)c2)n1,CI,0
Nc1nc(N)c(N=O)c(Nc2ccccc2)n1,CI,0
CSc1nc(C)cc(N(C)c2ccccc2)n1,CI,0
CC(=O)Nc1cc(Nc2cc(O)nc(O)n2)ccc1C,CI,0
Cc1cc(C)cc(Nc2cc(O)nc(O)n2)c1,CI,0
CC(=O)Nc1ccc(Nc2cc(O)nc(O)n2)cc1,CI,0
COc1ccc(Nc2cc(O)nc(O)n2)cc1,CI,0
Nc1ccc(Nc2cc(O)nc(O)n2)cc1,CI,0
Cc1ccc(Nc2cc(O)nc(S)n2)cc1.[NaH],CI,0
[N-]=[N+]=NCc1cccc(Nc2cc(O)nc(O)n2)c1,CM,1
COc1cc(Nc2cc(Cl)cc(Cl)c2)nc(N)n1,CI,0
Nc1nc(Cl)cc(Nc2cc(Cl)cc(Cl)c2)n1,CI,0
Cl.Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,CI,0
Cc1ccc(Nc2nc(O)nc(O)c2C)cc1Cl,CI,0
N#CSCc1cccc(Nc2cc(O)nc(O)n2)c1,CI,0
Cc1ccc(Nc2cc(O)nc(O)n2)cc1CS,CI,0
Oc1cccc(Nc2cc(O)nc(O)n2)c1,CI,0
Cc1ccc(Nc2nc(O)nc(O)c2N=O)cc1,CI,0
CSc1ccc(Nc2cc(O)nc(O)n2)cc1,CI,0
Nc1ccc(Nc2cc(O)nc(O)n2)cc1Cl,CI,0
Nc1nc(O)cc(Nc2cc(F)c(Cl)c(F)c2)n1,CI,0
COc1ccccc1Nc1nc(N)nc(N)c1N=O,CI,0
COc1cccc(Nc2nc(N)nc(N)c2N=O)c1,CI,0
CCOc1ccc(Nc2nc(N)nc(N)c2N=O)cc1,CI,0
COc1ccccc1Nc1nc(N)nc(N)c1N,CI,0
COc1cccc(Nc2nc(N)nc(N)c2N)c1,CI,0
CCOc1ccc(Nc2nc(N)nc(N)c2N)cc1,CI,0
Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O,CI,0
C=CCc1cc(-c2cc(CC=C)c(O)c(CN(CC)CC)c2)cc(CN(CC)CC)c1O,CI,0
N=C(N)Nc1ccc(-c2ccc(NC(=N)N)cc2)cc1.O=S(=O)(O)O,CI,0
Cc1cc(-c2cc(C)c(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N,CI,0
Oc1cc(O)cc(-c2c(O)cc(O)cc2O)c1,CI,0
Oc1ccc(-c2ccc(O)cc2O)c(O)c1,CI,0
COc1cc(-c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,CI,0
Fc1c(F)c(-c2c(F)c(F)c(S)c(F)c2F)c(F)c(F)c1S,CI,0
COc1ccc(-c2ccccc2)cc1S,CI,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(-c2ccccc2)cc1,CI,0
CC(=O)N(O)c1ccccc1-c1ccccc1,CI,0
C=C=CC(C)(O)c1ccc(-c2ccccc2)cc1,CI,0
COc1cc(-c2ccc(NC(=O)SCCC(=O)O)cc2OC)ccc1NC(=O)SCCC(=O)O,CI,0
CC(=O)Nc1ccccc1-c1ccccc1NC(C)=O,CI,0
O=C(CCl)Nc1ccccc1-c1ccccc1NC(=O)CCl,CI,0
O=C(CBr)Nc1ccccc1-c1ccccc1NC(=O)CBr,CI,0
CNCc1cc(OC)ccc1-c1ccc(OC)c(OC)c1OC.Cl,CI,0
COc1ccc(-c2ccc(CC(=O)O)cc2)cc1OC,CI,0
CC(C)(C)C(=O)C=Cc1ccc(-c2ccccc2)cc1,CI,0
Cc1cc(OCC(O)CO)ccc1-c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)OCC,CI,0
CC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(C)=O,CI,0
CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=Cc1ccc(-c2ccccc2)cc1,CI,0
O=C(O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)O,CI,0
CCOP(=O)(OCC)OC(C#N)c1ccc(-c2ccccc2)cc1,CI,0
COc1cc(CO)c(-c2c(CO)cc(OC)c(OC)c2OC)c(OC)c1OC,CI,0
COc1cc(C=O)c(-c2cc(OC)c(OC)cc2C=O)cc1OC,CI,0
O=Cc1cc(O)c(O)c(O)c1-c1c(C=O)cc(O)c(O)c1O,CI,0
SCc1ccc(-c2ccc(CS)cc2)cc1,CI,0
C=CC(C)(CCC=C(C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc(C(C)(C=C)CCC=C(C)CCC=C(C)C)cc(O)c2O)c1,CI,0
CCN(CC)C(=O)c1cc(OC(C)C)ccc1-c1c(C)cc(OC(C)C)c(OC)c1OC,CI,0
COc1ccccc1-c1cc(B(O)O)ccc1OC,CI,0
COc1ccc(Br)cc1-c1cc(Br)ccc1OC,CI,0
O=P(O)(O)c1ccc(-c2ccc(I)cc2)cc1,CI,0
CC(=O)Oc1c(C)cc(-c2cc(C)c(OC(C)=O)c(C)c2)cc1C,CI,0
Nc1c(Br)cc(-c2cc(Br)c(N)c(Br)c2)cc1Br,CI,0
O=C(O)c1ccc(-c2ccc(C(=C(F)F)C(F)(F)F)cc2)cc1,CI,0
FC(F)=C(c1ccc(-c2ccc(Cl)cc2)cc1)C(F)(F)F,CI,0
CCOP(=O)(Nc1ccc(-c2ccccc2)cc1)OCC,CI,0
CCOP(=O)(Nc1ccc(-c2ccc(N)cc2)cc1)OCC,CI,0
CCOP(=O)(OCC)c1cc(-c2ccccc2)ccc1N,CI,0
Cn1c2ccc([N+](=O)[O-])cc2c(=O)c2c(O)cc(O)cc21,CI,0
NCCNc1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12,CI,0
CC(=O)Nc1cccc2[nH]c3ccccc3c(=O)c12,CI,0
Cl.Cn1c2ccccc2c(=O)c2c([N+](=O)[O-])ccc(NCCN)c21,CI,0
Cc1cc2c(=O)c3ccccc3[nH]c2c(C(N)=O)c1C,CI,0
Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(=O)O)c1C,CI,0
COc1ccc(OC)c2c(=O)c3ccccc3[nH]c12,CI,0
CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21,CI,0
CCN(CC)CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21,CI,0
O=c1c2ccccc2[nH]c2c(O)ccc(O)c12,CI,0
CCN(CC)CCn1c2ccccc2c(=O)c2c(O)ccc(O)c21,CI,0
COc1ccc(C(=O)O)c2c(=O)c3ccccc3[nH]c12,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c(=O)c2c1,CI,0
O=C(O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12,CI,0
Nc1ccc(C(=O)O)c2[nH]c3ccccc3c(=O)c12,CI,0
Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(N)=O)c1C,CI,0
CCOC(=O)Cn1c2ccccc2c(=O)c2cc(C)c(C)c(C#N)c21,CI,0
O=C(O)Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12.[NaH],CI,0
CCOC(=O)C=Cn1c2ccccc2c(=O)c2ccccc21,CI,0
O=C(O)C=Cn1c2ccccc2c(=O)c2ccccc21,CI,0
CCOC(=O)C=Cn1c2ccccc2c(=O)c2cc(OC)ccc21,CI,0
COc1ccc2c(c1)c(=O)c1ccccc1n2C=CC(=O)O,CI,0
C#CC(C)(C)Oc1cc(O)c2c(=O)c3ccccc3n(C)c2c1,CI,0
Cn1c2cc(O)cc(O)c2c(=O)c2c([N+](=O)[O-])cccc21,CI,0
COc1cc(OC)c2c(=O)c3c([N+](=O)[O-])cccc3n(C)c2c1,CI,0
C#CC(C)(C)OCCCCOc1cc(O)c2c(=O)c3ccccc3n(C)c2c1,CI,0
COc1cc(OC)c2c(=O)c3cccc(C)c3n(C)c2c1,CI,0
Cc1cccc2c1c(=O)c1c(O)cc(O)cc1n2C,CI,0
Cc1cccc2c(=O)c3c(O)cc(O)cc3n(C)c12,CM,1
Cc1cc(O)c2c(=O)c3ccccc3[nH]c2c1,CI,0
COc1cc(C)cc2c1c(=O)c1ccccc1n2C,CI,0
COc1cc(C)c2c(=O)c3ccccc3n(C)c2c1,CM,1
C#CC(C)(C)Oc1cc(OC)c2c(=O)c3ccccc3n(C)c2c1,CI,0
Cc1cccc2[nH]c3cc(O)cc(O)c3c(=O)c12,CI,0
Cc1cccc2c(=O)c3c(O)cc(O)cc3[nH]c12,CI,0
COc1cc(O)c2c(=O)c3c(C)cccc3n(C)c2c1,CI,0
COc1cc(O)c2c(=O)c3cccc(C)c3[nH]c2c1,CI,0
Cc1ccc2c(=O)c3cccc(CC(=O)O)c3[nH]c2c1C.[NaH],CI,0
COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1,CI,0
COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C,CI,0
CCCNc1c(Cl)cc(Cl)c2[nH]c3ccccc3c(=O)c12,CI,0
O=C(O)CSC(=S)N1CCCC1,CI,0
N#CC(C#N)=CN1CCCC1,CI,0
C=C=C(C)C(C(C)C)N1CCCC1,CI,0
CC(C)SSC(=O)N1CCCC1C(=O)O,CI,0
Cl.OCC1NC(CO)C(O)C1O,CI,0
NCCCCC(NC(=O)C(CO)NC(=O)C(CO)NC(=O)CN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(N)=O,CI,0
CCCCCCCCCCCCCC(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(N)=O,CI,0
CCOC(=O)CC(C)(O)C1CCCN1,CI,0
COC(=O)C1CCCN1,CI,0
OCC1NC(CO)C(O)C1O,CI,0
CC(C)O.OCC1NC(CO)C(O)C1O,CI,0
CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)O,CI,0
CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O,CI,0
CCCCOP(=O)(OCCCC)N1CCCC1C(=O)O,CI,0
CCCCCCCCCCCCCC1CCC(CC)N1,CI,0
C=CCCCCCCCCCCCC1CCC(CC)N1,CI,0
CCSC1(SCC)CCN(C=NC(C)(C)C)C1,CI,0
COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C,CI,0
Cl.OCC(O)C1NCC(O)C1O,CI,0
CC(=O)OC1CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1C(O)CC(=O)O,CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)C1C(O)CC(=O)OC(C)(C)C,CI,0
NC1C(CO)CNC1CO,CI,0
CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(=O)O,CI,0
CC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C,CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)O,CI,0
CC(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)C(C)C,CI,0
CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C,CI,0
CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NCC(=O)O)C(C)C,CI,0
CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(NC(C)=O)C(C)C)C(C)C,CI,0
CC(NC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C)C(=O)O,CI,0
CC(NC(=O)C(N)CC(=O)O)NC(=O)N1CCCC1,CI,0
CCOC(=O)C(SC#N)=C(N)N1CCCC1,CI,0
NC(=O)C1CCCN1C(=O)N(CCCl)N=O,CI,0
CNC(=O)C(C#N)=C(N)N1CCCC1,CI,0
CNC(=S)C(C#N)=C(N)N1CCCC1,CI,0
CCOC(=O)C(C(=S)NC)=C(N)N1CCCC1,CI,0
CCOP(=O)(OCC)C1CC(O)CN1OC(=O)C(C)(C)C,CI,0
CCOC(=O)CSC1NC(C(=O)OC)CC1OC,CI,0
CNC(=O)CNC(=O)N(CC1CCCN1C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C,CI,0
COC(=O)C1CCCN1C(=O)OC(C)(C)C,CI,0
COC(=O)C1(CCCCl)CCCN1C(=O)OC(C)(C)C,CI,0
CCOC(=O)c1c(N)sc(C)c1C,CI,0
N#Cc1ccsc1C#N,CI,0
N#Cc1cscc1C#N,CI,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1,CI,0
ON=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1,CI,0
OC(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1,CI,0
N=C(CSS(=O)(=O)O)NCc1cccs1,CI,0
CC(=O)CSc1sc(C(C)=O)c(N)c1C#N,CI,0
N#Cc1c(N)sc(N)c1C#N,CI,0
CC(C)NCC(O)COC(=O)c1cccs1.Cl,CI,0
O=[PH](O)c1cccs1,CI,0
O=[PH](O)c1ccsc1,CI,0
Cc1ccc(CCC(=O)C(=O)O)s1,CI,0
O=C(O)c1csc(C(=O)O)c1,CM,1
CC(=O)CC(=O)C=Cc1cccs1,CI,0
CCOC(=O)C(=Cc1cccs1)P(=O)(OCC)OCC,CI,0
CCOC(=O)C(c1ccsc1)P(=O)(OCC)OCC,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccsc1,CI,0
SCc1ccc(CS)s1,CI,0
CCCCCCCCC(O)c1ccc(C=CC(O)CCCC(=O)O)s1.[LiH],CI,0
O=C(CP(=O)(O)O)c1cccs1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccs1,CI,0
N#CC(C#N)=Cc1cccs1,CI,0
CC(C)(CO)NC(=O)c1cccs1,CI,0
O=C(O)c1cscc1C(=O)O,CI,0
COC(N)=C(C#N)N=Cc1cccs1,CI,0
COC(N)=C(C#N)N=Cc1ccsc1,CI,0
CCC(=NO)c1ccc(Br)s1,CI,0
CCON=C(CC)c1ccc(Br)s1,CI,0
COC(=O)C=CC(C#N)(C#N)N=Cc1ccsc1,CI,0
O=[N+]([O-])c1ccc(N(CCCl)CCCl)s1,CI,0
CCOP(=O)(OCC)C(=Cc1cccs1)CC(C)=O,CI,0
NP(=O)(OCc1ccc([N+](=O)[O-])s1)N(CCBr)CCBr,CI,0
COC(=O)C=CC(C#N)(C#N)N=Cc1cccs1,CI,0
COC(=O)C=CC(C#N)(C#N)N=Cc1sccc1C,CM,1
COC(=O)C=CC(C#N)(C#N)N=Cc1ccc(Br)s1,CI,0
NC(=O)NC(=O)c1cccs1,CI,0
COC(=O)C=CC(C#N)(C#N)N=Cc1ccc(C)s1,CI,0
COC(=O)C=CC(C#N)(C#N)N=Cc1cc(Br)cs1,CI,0
O=C(CC(=NO)C(F)(F)F)c1cccs1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2O)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc(O)c2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc([N+](=O)[O-])c2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1,CI,0
Cc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc(Br)c1O,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)cc(Br)c2O)cc1,CI,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2Cl)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2O)cc1,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)cc(Br)c2O)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc([N+](=O)[O-])c2)cc1,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccccc1O)c1ccccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc1,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1cccc([N+](=O)[O-])c1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccccc1Cl)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1cccc(Cl)c1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1ccc(O)cc1)c1ccccc1O,CI,0
O=C(NN1C(=O)C(Cl)C1c1cccc(O)c1)c1ccccc1O,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC,CI,0
CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CCCCN(CCCC)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CNc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CC(=O)Nc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
COc1cc(N(C)C)c(OC)cc1C=C1C=Cc2ccccc21,CI,0
COc1cc(OC)c(OC)cc1C=C1C=Cc2ccccc21,CI,0
COc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CCN(CC)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
COc1ccc(OC)c(C=C2C=Cc3ccccc32)c1,CI,0
Cc1cc(C=C2C=Cc3ccccc32)ccc1N(C)C,CI,0
Nc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
COc1cc(C=C2C=Cc3ccccc32)cc(OC)c1OC,CI,0
COc1ccccc1C=C1C=Cc2ccccc21,CI,0
CCCCNc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
COc1cc(C=C2C=Cc3ccccc32)ccc1N(C)C,CI,0
C[N+](C)(C)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
COc1cc2c(cc1OC)C(=Cc1ccc(N(C)C)cc1)C=C2,CI,0
CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1Br,CI,0
CC(=O)N(C)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
Brc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
Ic1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
N=C(N)Nc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CNc1ccc(C=C2C=Cc3ccccc32)cc1Br,CI,0
CNc1c(Br)cc(C=C2C=Cc3ccccc32)cc1Br,CI,0
CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1F,CI,0
CNc1ccc(C=C2C=Cc3ccccc32)cc1I,CI,0
CNc1c(Cl)cc(C=C2C=Cc3ccccc32)cc1Cl,CI,0
CC(C)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CSc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
Nc1c(Cl)cc(C=C2C=Cc3ccccc32)cc1Cl,CI,0
Nc1c(Br)cc(C=C2C=Cc3ccccc32)cc1Br,CI,0
CN(C)N=Nc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
O=Cc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
CN(C)c1ccc(C=C2C=Cc3ccccc32)c(F)c1,CI,0
CS(=O)(=O)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0
COc1ccc(C=C2C=Cc3ccccc32)cc1OC,CI,0
C#CCCOC(=O)CC1=C(C)C(=Cc2ccc(S(C)=O)cc2)c2ccc(F)cc21,CI,0
Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl,CI,0
BrCc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
BrCc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
BrCc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
O=[N+]([O-])c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
CC(=O)Nc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1,CI,0
OCC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1C,CI,0
Cc1ccc([PH](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
Cc1cccc([PH](Cc2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1,CI,0
Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1C)c1ccccc1C,CI,0
Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1,CI,0
Cc1ccc([PH](Cc2ccc([N+](=O)[O-])cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
CC(Br)(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
Cc1ccc(C)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
N#CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1cc(Cl)ccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1,CI,0
O=S(=O)(F)c1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
O=S(=O)(F)c1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Cl,CI,0
N#Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
COc1cc(C)c(O)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl,CI,0
Clc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(=O)Nc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1ccc(Cl)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=S(=O)(F)c1cccc(Cl)c1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C1C=C(O)C(=O)c2ccccc21,CI,0
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,CI,0
O=C1C=CC(=O)c2c(O)ccc(O)c21,CI,0
N#CSC1=C(SC#N)C(=O)c2ccccc2C1=O,CI,0
CCCNC1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
NC1=C(O)C(=O)c2ccccc2C1=O,CI,0
CCCCCCCCCCCCC(=O)NC1=C(O)C(=O)c2ccccc2C1=O,CI,0
CCCCCCCCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O,CI,0
O=C1C(O)=C(CC=C(Cl)Cl)C(=O)c2ccccc21,CI,0
CCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O,CI,0
O=C1C(CO)=C(CO)C(=O)c2c(O)ccc(O)c21,CI,0
O=C1C=CC(=O)c2c(O)cccc21,CI,0
COC1=CC(=O)c2c(O)c(CO)cc(O)c2C1=O,CI,0
C=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O,CI,0
O=C1C=C(C(O)CCO)C(=O)c2c(O)ccc(O)c21,CI,0
Cc1cc(O)c2c(c1)C(=O)C=CC2=O,CI,0
COc1cc(O)c2c(c1)C(=O)C=C(Cl)C2=O,CI,0
COC1=C(CC(C)=O)C(=O)c2c(O)c(CO)cc(O)c2C1=O,CI,0
CC(C)C=CC1=C(O)C(=O)c2ccccc2C1=O,CI,0
CN(C)CC1=C(O)C(=O)c2ccccc2C1=O,CI,0
COC(=O)c1cc2c(c(C(=O)OC)c1O)C(=O)C=CC2=O,CI,0
CC(C)=CCCc1c(C)ccc2c1C(=O)C(O)=C(C(C)C)C2=O,CI,0
NC1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
Cc1ccc2c(c1CCCC(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O,CI,0
CC1=CC(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O,CI,0
CCOC(=O)C1=C(O)C(=O)c2ccccc2C1=O,CI,0
CCOC(=O)C1=C(O)C(=O)c2cc(OC)ccc2C1=O,CI,0
CCOC(=O)C1=C(O)C(=O)c2cc(C)ccc2C1=O,CI,0
CCOC(=O)C1=C(O)C(=O)c2c(OC)ccc(OC)c2C1=O,CI,0
CC(=O)NC1=CC(=O)c2cc(C)cc(O)c2C1=O,CI,0
COc1cc(C)cc2c1C(=O)C(NC(C)=O)=CC2=O,CI,0
Cc1cc(O)c2c(c1)C(=O)C=C(Br)C2=O,CI,0
COc1cc(C)cc2c1C(=O)C(Br)=CC2=O,CI,0
NP(=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr,CI,0
CC1=CC(=O)c2c(O)cccc2C1=O,CI,0
Oc1nc(Nc2cccc(Br)c2)nc2[nH]cnc12,CI,0
Cc1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1CO,CI,0
COC(=O)Cn1cnc2c(Cl)nc(Nc3ccccc3)nc21,CI,0
CC(=O)OCCCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21,CI,0
COCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21,CI,0
Oc1nc(Nc2cccc(Cl)c2)nc2[nH]cnc12,CI,0
Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2[nH]cnc12,CI,0
Oc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1,CI,0
Clc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl,CI,0
CCCCc1ccc(Nc2nc(O)c3ncn(COCCBr)c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(S)c3ncn(COCCO)c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCOC(C)=O)c3n2)cc1,CI,0
CCCCc1ccc(Nc2ncc3ncn(COCCO)c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(O)c3ncn(COCCO)c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(N)c3ncn(COCCO)c3n2)cc1,CI,0
CCCCc1ccc(Nc2ncc3nc[nH]c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1,CI,0
Oc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2[nH]cnc12,CI,0
Oc1nc(Nc2cc(Cl)cc(Cl)c2)nc2[nH]cnc12,CI,0
Oc1nc(Nc2cccc(C(F)(F)F)c2)nc2[nH]cnc12,CI,0
OCc1cccc(Nc2nc(O)c3nc[nH]c3n2)c1,CI,0
CCCCc1ccc(Nc2nc(SC)c3nc[nH]c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(S)c3nc[nH]c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(N)c3nc[nH]c3n2)cc1,CI,0
O=C(O)Cn1cnc2c(O)nc(Nc3ccccc3)nc21,CI,0
Oc1nc(Nc2ccc(F)c(Cl)c2)nc2[nH]cnc12,CI,0
C=CCn1cnc2c(O)nc(Nc3ccccc3)nc21,CI,0
OCCSCC(O)Cn1cnc2c(O)nc(Nc3ccccc3)nc21,CI,0
COC(=O)c1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1,CI,0
N#Cc1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1,CI,0
Oc1nc(Nc2cccc(CC(F)(F)F)c2)nc2[nH]cnc12,CI,0
Oc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)nc2[nH]cnc12,CI,0
Fc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl,CI,0
Oc1nc(Nc2ccc(Cl)cc2)nc2[nH]cnc12,CI,0
O=C(O)CCC(=O)Oc1ccc(O)c2c1CCCC2=O,CI,0
O=C1CCCc2c(O)ccc(O)c21,CI,0
CCOC(=O)COc1ccc(OC)c2c1C(=O)CCC2,CI,0
COc1ccc2c(c1OCC(=O)O)C(=O)C(CCC(=O)O)CC2,CI,0
COc1ccc2c(c1O)C(=O)C(CCC(=O)O)CC2,CI,0
CC(C)(C)c1cc(O)c2c(c1O)C(=O)CCC2,CI,0
O=C(O)CCC1CCc2cccc(OCC(=O)O)c2C1=O,CI,0
O=C(O)CCC1CCc2cccc(O)c2C1=O,CI,0
COC(=O)CCC1CCc2c(OC)ccc(OC)c2C1=O,CI,0
COC(=O)CCC1CCc2c(OC)ccc(O)c2C1=O,CI,0
CCC(Oc1ccc(OC)c2c1C(=O)CCC2)C(=O)O,CI,0
COC(=O)C1(C)CCc2c(OC)ccc(OC)c2C1=O,CM,1
CCC1CCc2c(OC)ccc(OCC(=O)O)c2C1=O,CI,0
COc1ccc(OC(C)C(=O)O)c2c1CCCC2=O,CI,0
COc1ccc(OCC(=O)O)c2c1CCCC2=O,CI,0
CCOc1ccc(OCC(=O)O)c2c1CCCC2=O,CI,0
COC(=O)C1(C(C)C)CCc2c(OC)ccc(OC)c2C1=O,CI,0
COc1ccc(OCC(=O)O)c2c1CCC(C)C2=O,CI,0
COc1ccc(OC(C(=O)O)C(C)C)c2c1CCCC2=O,CI,0
CCC1(C(=O)OC)CCc2c(OC)ccc(OC)c2C1=O,CI,0
COC(=O)C1CCc2c(OC)ccc(OC)c2C1=O,CI,0
COc1ccc(OCC(=O)O)c2c1CCC(C(C)C)C2=O,CI,0
O=C1CCCc2ccc([N+](=O)[O-])c(O)c21,CI,0
CCOC(=O)C1Cc2c(ccc(OC)c2OC)C(=O)C1N,CI,0
CC1(C)CCC(=O)c2c(O)ccc(O)c21,CI,0
COc1ccc2c(c1)C(=O)CC(C(=O)O)C2,CI,0
C[N+](C)(C)CC1CCc2ccccc2C1=O.[I-],CI,0
CN(C)CC1CCc2ccccc2C1=O.Cl,CI,0
COc1cc(C)cc2c1C(=O)C(Br)CC2,CI,0
COc1cc(C)cc2c1C(=O)C(Br)(Br)CC2,CI,0
COc1cc(C)c(Br)c2c1C(=O)C(Br)(Br)CC2,CI,0
O=C1c2ccccc2CCC1C(O)(C(F)(F)F)C(F)(F)F,CI,0
N#CCCC1(CCC#N)CCc2ccccc2C1=O,CI,0
CCOC(=O)C1(CC=CCBr)CCc2ccccc2C1=O,CI,0
CN(C)c1ccc(C=C2CC(C)(C)c3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc(O)c(O)c2)CCc2ccccc21,CI,0
CN(C)c1ccc(C=C2CCc3ccccc3C2=O)cc1,CI,0
COc1ccc(C=C2CCc3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc(F)cc2)CCc2ccccc21,CI,0
COc1ccccc1C=C1CCc2ccccc2C1=O,CI,0
COc1cccc(C=C2CCc3ccccc3C2=O)c1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)CCc2ccccc21,CI,0
O=C1C(=Cc2cccc(F)c2)CCc2ccccc21,CI,0
O=C1C(=Cc2cccc(Cl)c2)CCc2ccccc21,CI,0
O=C1C(=Cc2ccccc2F)CCc2ccccc21,CI,0
O=C1C(=Cc2ccccc2Cl)CCc2ccccc21,CI,0
N#Cc1cccc(C=C2CCc3ccccc3C2=O)c1,CI,0
O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCc2ccccc21,CI,0
N#Cc1ccc(C=C2CCc3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21,CI,0
COc1ccc(OC)c(C=C2CCc3ccccc3C2=O)c1,CI,0
CN(C)c1ccc(C=C2CCc3ccccc3C2=O)cc1Br,CI,0
COc1ccc(C=C2CCc3ccccc3C2=O)cc1OC,CI,0
COc1cc(C=C2CCc3ccccc3C2=O)cc(OC)c1OC,CI,0
COC(=O)c1ccc(C=C2CCc3ccccc3C2=O)cc1,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(Cl)cc1)CC2,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(O)cc1)CC2,CI,0
COc1ccc(C=C2CCc3cc(OC)c(OC)cc3C2=O)cc1,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)CC2,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(N(C)C)cc1)CC2,CI,0
COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1)CC2,CI,0
O=C1C(=Cc2ccccc2)CCc2ccccc21,CI,0
O=C1C(=Cc2ccc(O)cc2)CCc2ccccc21,CI,0
O=C1C(=Cc2ccccc2)CCc2ccc([N+](=O)[O-])cc21,CI,0
O=C1C(=Cc2ccc(O)cc2)CCc2ccc([N+](=O)[O-])cc21,CI,0
CCN(CC)c1ccc(C=C2CCc3ccc([N+](=O)[O-])cc3C2=O)cc1,CI,0
COc1cc(C=C2CCc3ccccc3C2=O)ccc1O,CI,0
O=C1C(=Cc2cccc(Br)c2)CCc2ccccc21,CI,0
O=C(O)C1CC1,CI,0
CCCCOCCOC(=O)C1C(C=C(C)C)C1(C)C,CI,0
CCOP(=O)(OCC)C(=O)C1CC1,CI,0
CCOC(=O)C1(C#N)C(C#N)(C#N)C1(CC)CC,CI,0
CC1(C)C(C(=O)O)C1C(=O)O,CI,0
CCC1(C)C(C#N)(C#N)C1(C#N)C#N,CI,0
CCCC1C(C#N)(C#N)C1(C#N)C#N,CI,0
CCCC(C)(COC(N)=O)COC(=O)NC1CC1,CI,0
C=CCCCCCCCCC(=O)NCC1CC1,CI,0
N=C(CSS(=O)(=O)O)NC1CC1,CI,0
CN(C)C(=O)NC1(N(C)C)CC1,CI,0
O=C(O)C1(C(=O)O)CC1,CI,0
CC(C)N(C(=O)C1(C)CC1)C(C)C,CI,0
C[N+](C)(C)CC(CC(=O)[O-])C1CC1,CI,0
[N-]=[N+]=CC(=O)C1(C(=O)C=[N+]=[N-])CC1,CI,0
CC(=NOCCC(=O)O)C1CC1,CI,0
COC(=O)CCN(CCC(=O)OC)C1CC1,CI,0
CCOC(=O)C1(C#N)CC1,CI,0
CCOP(=O)(CC(=O)C1CC1)OCC,CI,0
O=C(O)C1(C(=O)O)CC1(C(=O)O)C(=O)O,CI,0
CCOC(=O)C1(C(=O)OCC)CC1(C(=O)OCC)C(=O)OCC,CI,0
COC(=O)C1(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1,CI,0
COC(=O)C1(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1C,CI,0
COC(=O)C1(NC(=O)C(N)CC(=O)O)CC1(C)C,CI,0
COC(=O)C1(NC(=O)C(N)CC(=O)O)C(C)C1C,CI,0
CNC1(C(=O)O)CC1,CI,0
CN(C)C1(C(=O)O)CC1.Cl,CI,0
C[N+](C)(C)C1(C(=O)[O-])CC1,CI,0
CCOC(=O)C1(N)CC1.Cl,CI,0
CON(C)C(=O)C1CC1(C)CO,CI,0
CCOC(=O)C1(C#N)C(C#N)(C#N)C1(C#N)C#N,CI,0
N#CC1(C#N)C(C#N)(C#N)C1(C#N)C(N)=O,CI,0
COC(=O)C1C(C(=O)OC)C1(Br)CBr,CI,0
O=C(O)C1C(C(=O)O)C1(Br)CBr,CI,0
C=C(CN(C)C)C(=O)c1ccc(Oc2ccccc2)cc1.Cl,CI,0
Cc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1,CI,0
COc1ccc(Oc2ccccc2N)cc1.Cl,CI,0
Cc1ccc(Oc2ccccc2N)cc1.Cl,CI,0
Cc1ccc(Oc2ccc(C)cc2N)cc1.Cl,CI,0
CC(=NNC(N)=S)c1ccc(Oc2ccccc2)cc1,CI,0
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1,CI,0
Oc1cc(O)c(Oc2cccc(O)c2O)c(O)c1,CI,0
COc1cc(OC)c(Oc2cccc(OC)c2OC)c(OC)c1,CI,0
O=[N+]([O-])c1ccccc1Oc1ccccc1,CI,0
[N-]=[N+]=Nc1ccccc1Oc1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(Oc2ccccc2)cc1)C(=O)OCC,CI,0
N#CC(C#N)=Cc1ccc(Oc2ccccc2)cc1,CI,0
CC(C)(C)C(=O)C=Cc1ccc(Oc2ccccc2)cc1,CI,0
CC(C)(C)C(=O)C=Cc1cccc(Oc2ccccc2)c1,CI,0
N#CC(C#N)=Cc1cccc(Oc2ccccc2)c1,CI,0
COc1cc(Oc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(C(C)=O)c(O)c1C,CI,0
N#COc1ccc(Oc2ccccc2)cc1,CI,0
N#COc1ccc(Oc2ccc(OC#N)cc2)cc1,CI,0
N#Cc1ccc(Oc2ccccc2)cc1C#N,CI,0
CC(C)(C)c1cc(Oc2ccc(C#N)c(C#N)c2)cc(C(C)(C)C)c1,CI,0
CC(C)(C)c1ccc(Oc2ccc(C#N)c(C#N)c2)c(C(C)(C)C)c1,CI,0
N#Cc1ccc(Oc2cccc(N)c2)cc1C#N,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(Oc2ccccc2)cc1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccc(Oc2ccccc2)c1,CI,0
NCC(O)c1cc(I)c(Oc2ccc(O)cc2)c(I)c1,CI,0
OCC(O)c1cc(I)c(Oc2ccc(O)cc2)c(I)c1,CI,0
Cc1ccc(Oc2cc(C)ccc2P(=O)(O)O)cc1,CI,0
O=P(O)(O)c1ccccc1Oc1ccccc1,CI,0
CCN(CC)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1.Cl,CI,0
CCN(CC)CCC(=O)c1ccc(Oc2ccc(C)cc2)cc1.Cl,CI,0
CCN(CC)CCC(=O)c1ccc(Oc2ccccc2)cc1.Cl,CI,0
CCN(CC)CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1.Cl,CI,0
CCOP(=O)(OCC)c1ccc[nH]1,CI,0
N=C(N)NN=Cc1ccc[nH]1,CI,0
N#Cc1c(N)[nH]c(S)c1C#N,CM,1
CCOC(=O)C=C(c1cc(C)[nH]c1C)N(CC)CC,CI,0
CCOC(=O)c1c(C)[nH]c(C(=O)C(N=O)C(=O)OCC)c1C,CI,0
Cc1[nH]c(NC(=O)C(=O)O)c(C#N)c1C,CI,0
CCOC(=O)C(C#N)=Cc1[nH]c(C)c(C)c1C,CI,0
CCOC(=O)c1[nH]c(COC(C)=O)c(CCCOC(C)=O)c1CCCOC(C)=O,CI,0
O=C(O)c1c[nH]cc1C(=O)O,CI,0
O=C(O)c1[nH]c(C(=O)O)c(CC(F)(F)C(F)(F)C(F)(F)F)c1CC(F)(F)C(F)(F)C(F)(F)F,CI,0
CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)n1C)OCC,CI,0
C#Cc1c(C)c(C=CC(C)=CC=CC(C)=CC(=O)OC)n(C)c1C,CI,0
C#Cc1c(C)c(C=CC(C)=CC(=O)OC)n(C)c1C,CI,0
COC(=O)C=C(C)C=Cc1c(C)c(C(C)=O)c(C)n1C,CI,0
CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)n(C)c1C,CI,0
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C.Cl,CI,0
CCOC(=O)C(=Cc1ccc[nH]1)P(=O)(OCC)OCC,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc[nH]1,CI,0
N#CC(=Cc1ccc[nH]1)P(=O)(O)O,CI,0
CCOC(=O)Nn1c(C)cc(C(=O)OC)c1C,CI,0
COC(=O)c1cc(C)n(NC(=O)OC(C)(C)C)c1C,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccn1C,CM,1
CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccn1N(C)C,CM,1
CCOP(=O)(OCC)C(C#N)=Cc1cccn1C(C)C,CM,1
CCOP(=O)(OCC)C(C#N)=Cc1cccn1CC(C)C,CM,1
C=CCn1c(N)c(C#N)c(C#N)c1CCC,CI,0
CC=Nn1c(C)c(C#N)c(C#N)c1N,CI,0
CC(C)C=Nn1c(N)c(C#N)c(C#N)c1C(C)C,CI,0
CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(C(=O)O)[nH]1,CI,0
COC(=O)c1cc(Br)c(C(=O)C(Cl)(Cl)Cl)[nH]1,CI,0
CCOC(=O)c1ccc(C(O)C([Ac])C(=O)OC(C)(C)C)[nH]1,CI,0
CCOC(=O)c1ccc(C(=O)C(C(C)=O)C(=O)OC(C)(C)C)n1C,CI,0
COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C)cc1OC,CI,0
COc1cc(CNc2cnc3ccc(N)cc3n2)cc(OC)c1OC,CI,0
COc1cc(CNc2cnc3cc(N)ccc3n2)cc(OC)c1OC,CI,0
COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1OC,CI,0
COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1OC,CI,0
COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1,CI,0
Nc1ccc2ncc(NCc3ccc(F)cc3)nc2c1,CI,0
COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1,CI,0
Nc1ccc2nc(NCc3ccc(F)cc3)cnc2c1,CI,0
CCOC(=O)c1nc2ccccc2nc1NCc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccccc2nc1NCc1ccc(OC)c(OC)c1,CI,0
COc1cc(CNc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC,CI,0
COc1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1OC,CI,0
CCOC(=O)c1nc2ccccc2nc1NCc1ccc(OC)cc1,CI,0
COc1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1,CI,0
O=C(O)c1nc2ccccc2nc1NCc1ccc(F)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)cc1,CI,0
CCOC(=O)c1nc2ccccc2nc1NCc1ccc(Cl)cc1Cl,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1)C(=O)O,CI,0
COc1cc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc(OC)c1OC,CI,0
COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1OC,CI,0
COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1,CI,0
O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1,CI,0
O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1,CI,0
CCOC(=O)c1nc2cc(F)c(F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1,CI,0
O=[N+]([O-])c1ccc(C(Cl)S(=O)(=O)c2ccccc2)cc1,CI,0
O=S(=O)(c1ccccc1)C(Br)c1ccccc1,CI,0
N#Cc1cccc(C(Br)S(=O)(=O)c2ccccc2)c1,CI,0
O=S(=O)(c1ccccc1)C(Cl)c1cccc(Cl)c1,CI,0
O=[N+]([O-])c1ccccc1CS(=O)(=O)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccccc2)cc1,CI,0
COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)cc1,CI,0
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Nc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)O)cc1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)OCC)cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
Nc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
O=C(O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(N)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)OCC)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)cc1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Cc1ccccc1,CI,0
O=S(=O)(O)c1ccc(Sc2ccc(S(=O)(=O)O)cc2)cc1,CI,0
N=C(N)NC(=N)Nc1ccc(Sc2ccc(NC(=N)NC(=N)N)cc2)cc1,CI,0
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C,CI,0
O=C(O)c1ccc(Sc2ccccc2)cc1,CI,0
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O,CI,0
Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,CI,0
O=C(O)c1cccc(Sc2ccccc2)c1,CI,0
Clc1cccc(Sc2ccccc2)c1,CI,0
Cc1ccc(Sc2ccccc2[N+](=O)[O-])cc1,CI,0
COc1ccc(Sc2ccccc2[N+](=O)[O-])cc1,CI,0
COc1ccc(Sc2ccccc2N)cc1.Cl,CI,0
Cl.Nc1ccccc1Sc1ccc(Cl)cc1,CI,0
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=[N+]([O-])c1ccccc1Sc1ccccc1[N+](=O)[O-],CA,1
CC(=O)Nc1ccccc1Sc1ccccc1,CI,0
Cc1ccc(Sc2ccccc2N)cc1.Cl,CI,0
Cc1ccc(Sc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1ccccc1Sc1ccccc1,CM,1
Cl.Nc1ccccc1Sc1ccccc1,CI,0
O=[N+]([O-])c1ccccc1Sc1ccc(Cl)cc1,CI,0
O=[N+]([O-])c1cc(Cl)ccc1Sc1ccc(Cl)cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
N#Cc1ccccc1Sc1ccccc1N,CI,0
N#Cc1ccc(Sc2ccccc2)cc1C#N,CI,0
O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1,CI,0
O=C(O)c1ccccc1Sc1ccccc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cc(F)ccc1Sc1ccccc1,CI,0
CCN(CC)CCC(=O)c1ccc(Sc2ccc(F)cc2)cc1.Cl,CI,0
N#Cc1cc(Sc2ccc(N)c(C#N)c2)ccc1N,CI,0
O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-],CI,0
CCOC(=O)c1cc(Sc2ccc(N)c(C(=O)OCC)c2)ccc1N,CI,0
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
CC(O)CN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
CC(Cl)CN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
CC(=O)N1c2ccccc2Sc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CI,0
NCCCN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2,CI,0
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)C=CC(=O)O,CI,0
OCCN1c2ccccc2Sc2ccccc21,CI,0
O=C(O)CCN1c2ccccc2Sc2ccccc21,CI,0
COC(=O)CCN1c2ccccc2Sc2ccccc21,CI,0
N#Cc1cccc2c1Nc1ccccc1S2,CI,0
CC(O)CN1c2ccccc2Sc2ccccc21.CS(=O)(=O)O,CI,0
CC(Cc1cccc2c1Nc1ccccc1S2)N(C)CCO,CI,0
CN(CCO)CCN1c2ccccc2Sc2ccccc21,CI,0
CNC(=O)OCCN1c2ccccc2Sc2ccccc21,CI,0
CNC(=O)OC(C)CN1c2ccccc2Sc2ccccc21,CI,0
FC(F)C(F)(F)N1c2ccccc2Sc2ccccc21,CI,0
CNC(=O)OC(C)CN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
OCCN1c2ccccc2Sc2ccc(Cl)cc21,CI,0
C[N+](C)(CCO)CCN1c2ccccc2Sc2ccccc21.[I-],CI,0
N#Cc1cccc2c1Sc1ccccc1N2,CI,0
O=[N+]([O-])c1c(Br)cc(Br)c2c1Nc1c(ccc(Cl)c1Cl)S2,CI,0
COC(=O)Cc1ccc2c(c1)Sc1ccc(CC(=O)OC)cc1N2C,CI,0
O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2,CI,0
O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2CCCCCl,CI,0
[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCCl,CI,0
O=[N+]([O-])c1c(F)c(F)c2c(c1F)Nc1ccccc1S2,CI,0
Nc1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2,CI,0
CN(C)CCCCN1c2ccccc2Sc2cc(N=[N+]=[N-])ccc21.O=C(O)C(=O)O,CI,0
CN(C)CCCCN1c2ccccc2Sc2ccc(N=[N+]=[N-])cc21.O=C(O)C(=O)O,CI,0
O=[N+]([O-])c1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CCO,CI,0
CCN(CC)CCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
CCCCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
NN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1O,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1O,CI,0
C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
CC(=O)ON1C(=O)c2cccc3cccc(c23)C1=O,CI,0
CC(O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1NCCO,CI,0
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1NCCO,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN(CCO)CCO,CI,0
CCOC(=O)NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O,CI,0
CC(CO)(CO)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
COc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O,CI,0
CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O,CI,0
CCN(CC)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CCN(CC)CCN1C(=O)c2cccc3cc(OC)cc(c23)C1=O,CI,0
CCN(CC)CCN1C(=O)c2cccc3c(N)c(OC)cc(c23)C1=O,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CCCN(CCO)CCO,CI,0
Cl.NCCNCCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
COC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
COC(=O)CN1C(=O)c2cccc3cc(N)cc(c23)C1=O,CI,0
Nc1ccc2c3c(cccc13)C(=O)N(CCCBr)C2=O,CI,0
N#CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CCOC(=O)CN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O,CI,0
O=C1NC(=O)c2ccc([N+](=O)[O-])c3cccc1c23,CI,0
CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
COc1ccc2c(ccc(=O)n2C)c1,CI,0
Cn1c(=O)cc(O)c2ccccc21,CI,0
O=c1ccc2ccccc2n1O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(Cn1c(=O)cc(C)c2ccc(C)c(C)c21)OC(C)=O,CI,0
CCOC(=O)Cn1c(=O)cc(C=O)c2ccccc21,CI,0
Cc1cc(=O)n(CC(=O)O)c2ccccc12,CI,0
CC(=Cc1cc(=O)n(C)c2ccccc12)[N+](=O)[O-],CI,0
Cn1c(=O)cc(CC(=O)C(=O)O)c2ccccc21,CI,0
CCOC(=O)C(=O)Cc1cc(=O)n(C)c2ccccc12,CI,0
CCOC(=O)Cc1cc(=O)n(C)c2ccccc12,CI,0
Cn1c(=O)cc(CC(=O)O)c2ccccc21,CI,0
Cn1c(=O)cc(CC#N)c2ccccc21,CI,0
CCOC(=O)C(O)=Cc1cc(=O)n(C)c2ccccc12,CI,0
CCOC(=O)Cn1c(=O)cc(C)c2ccccc21,CI,0
CCCCn1c(=O)cc(C(=O)O)c2ccccc21,CI,0
COc1ccc2c(c1)c(C(=O)O)cc(=O)n2C,CI,0
COC(=O)c1cc(=O)n(C)c2ccc(OC)cc12,CI,0
COc1cc(NC(=O)CC(C)=O)cc2c(C)cc(=O)n(C)c12,CI,0
Cc1cc(=O)n(C=CC(=O)O)c2ccccc12,CI,0
CCOC(=O)C=Cn1c(=O)cc(C)c2ccccc21,CI,0
COc1ccc2c(O)c(C)c(=O)n(C)c2c1,CI,0
Cc1c(O)c2ccc(Cl)cc2n(C)c1=O,CI,0
Cc1c(O)c2ccccc2n(C)c1=O,CI,0
O=C(O)Cn1c(=O)ccc2ccccc21,CI,0
Cn1c(=O)c(S(C)=O)c(O)c2ccccc21,CI,0
COc1ccc2c(c1)c(OC)c(CC(O)C(C)(C)O)c(=O)n2C,CI,0
CC(=O)c1ccc2c(ccc(=O)n2C)c1,CI,0
CCCC(=O)c1ccc2c(ccc(=O)n2C)c1,CI,0
Cn1c(=O)c(Cl)c(N=[N+]=[N-])c2ccccc21,CI,0
CN(C)CCCNC(=O)c1c(O)c2ccccc2n(C)c1=O.Cl,CI,0
Cn1c(=O)c([N+](=O)[O-])c(N=[N+]=[N-])c2ccccc21,CI,0
NN=C(C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
CNN=C(C(=O)Nc1ccc(C)c(C)c1)C(C(=O)OC)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=NN)C(=O)Nc1cc(Cl)ccc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
CNN=C(C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
COC(=O)C(=O)C(C(=NN)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)C(C(=NO)C(=O)Nc1ccc(Br)cc1)c1nc2ccccc2nc1O,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=NNC(N)=O)C(C(=O)OC)c1cnc2ccccc2n1,CI,0
COC(=O)C(C(=NNC(N)=S)C(=O)Nc1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1,CI,0
CCOC(=O)C(C(=NNC(=O)OC)C(=O)Nc1ccc(C(C)=O)cc1)c1cnc2ccccc2n1,CI,0
CCOC(=O)C(C(=NNC(=O)OC)C(=O)Nc1cc(OC)ccc1OC)c1cnc2ccccc2n1,CI,0
COc1ccc(NC(=O)C(Cc2nc3ccccc3nc2O)=NO)c(OC)c1,CI,0
CCOc1ccc(NC(=O)C(Cc2nc3ccccc3nc2O)=NO)cc1,CI,0
COC(=O)C(C(=NNC(N)=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O,CI,0
Cc1cccc(NC(=O)C(=NN)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1C,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0
C[N+](C)(C)CC(=O)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.[Cl-],CI,0
COC(=O)C(C(=NO)C(=O)Nc1cccc(Cl)c1C)c1cnc2ccccc2n1,CI,0
CCOC(=O)C(=O)C(C(=NN(C)C)C(=O)Nc1ccc(C)cc1C)c1nc2ccccc2nc1O,CI,0
COC(=O)C(C(=NN)C(=O)Nc1cccc(O)c1)c1nc2ccccc2nc1O,CI,0
CCOc1ccc(NC(=O)C(=NN)C(C(=O)OC)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
COC(=O)C(C(=NN)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccc(Cl)cc2nc1O,CI,0
NN=C(C(=O)Nc1ccc(Cl)cc1Cl)C(c1cnc2ccccc2n1)[N+](=O)[O-],CI,0
COC(=O)C(C(=NN)C(=O)Nc1ccc(C)c(C)c1)c1nc2ccc(Cl)cc2nc1O,CI,0
Cc1ccc(C)c(NC(=O)C(=NN)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1,CI,0
COC(=O)C(C(=NNC(N)=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
NC(=O)NN=C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0
Cc1cccc(C)c1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=NNC(N)=O,CI,0
COc1ccccc1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0
NC(=S)NN=C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)Nc1ccc(Cl)cc1,CI,0
Fc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
Fc1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
Brc1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
Brc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
Brc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=[N+]([O-])c1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
O=[N+]([O-])c1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
O=[N+]([O-])c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
Fc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
Cc1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
Cc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
Cc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
FC(F)(F)c1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
FC(F)(F)c1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
FC(F)(F)c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
COc1ccccc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
COc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
COc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
CN(C)c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
N#Cc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
N#Cc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
Clc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1Cl,CI,0
Clc1ccc(C=NC23CC4CC(CC(C4)C2)C3)c(Cl)c1,CI,0
Clc1cccc(Cl)c1C=NC12CC3CC(CC(C3)C1)C2,CI,0
Clc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1Cl,CI,0
Clc1cc(Cl)cc(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
Fc1ccc(F)c(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
O=[N+]([O-])c1ccc(Cl)c(C=NC23CC4CC(CC(C4)C2)C3)c1,CI,0
O=[N+]([O-])c1cc(C=NC23CC4CC(CC(C4)C2)C3)ccc1Cl,CI,0
O=[N+]([O-])c1ccc(Cl)cc1C=NC12CC3CC(CC(C3)C1)C2,CI,0
CN1CC(=Cc2ccc(N(C)C)cc2)C(=O)C(=Cc2ccc(N(C)C)cc2)C1,CI,0
Cl.O=C1C(=Cc2ccccc2)CNCC1=Cc1ccccc1,CI,0
CSc1ccc(C=C2CNCC(=Cc3ccc(SC)cc3)C2=O)cc1.Cl,CI,0
CC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,CI,0
O=C1C(=Cc2ccccc2)CN(C(=O)C(Cl)(Cl)Cl)CC1=Cc1ccccc1,CI,0
O=C1C(=Cc2ccccc2)CN(C(=O)C(F)(F)F)CC1=Cc1ccccc1,CI,0
CCOC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,CI,0
O=C1C(=Cc2ccccc2)CN(C(=O)OCC(Cl)(Cl)Cl)CC1=Cc1ccccc1,CI,0
Cl.O=C1C(=Cc2ccc(Cl)cc2)CNCC1=Cc1ccc(Cl)cc1,CI,0
Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1.Cl,CI,0
COc1ccc(C=C2CNCC(=Cc3ccc(OC)cc3)C2=O)cc1.Cl,CI,0
C=CC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,CI,0
CN(C)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.Cl,CI,0
CCN(CC)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.Cl,CI,0
C[N+](C)(C)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.[Br-],CI,0
O=C1C(=Cc2ccc(Cl)c(Cl)c2)CNCC1=Cc1ccc(Cl)c(Cl)c1,CI,0
C=CC(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1,CI,0
CN(C)CCC(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1.Cl,CI,0
COc1ccc(C=C2CN(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1.Cl,CI,0
CN1CC(=Cc2ccc(Cl)cc2)C(=O)C(=Cc2ccc(Cl)cc2)C1.Cl,CI,0
CN1CC(=Cc2ccccc2[N+](=O)[O-])C(=O)C(=Cc2ccccc2[N+](=O)[O-])C1.Cl,CI,0
COc1ccc(C=C2CN(C)CC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC.Cl,CI,0
CN1CC(=Cc2ccccc2[N+](=O)[O-])C(=O)C(=Cc2ccccc2[N+](=O)[O-])C1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)CNCC1=Cc1ccc(Cl)cc1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CNCC1=Cc1ccc([N+](=O)[O-])cc1,CI,0
O=C1C(=Cc2ccc(F)cc2)CNCC1=Cc1ccc(F)cc1,CI,0
C=CC(=O)N1CC(=Cc2ccc(Cl)cc2)C(=O)C(=Cc2ccc(Cl)cc2)C1,CI,0
C=CC(=O)N1CC(=Cc2ccc(F)cc2)C(=O)C(=Cc2ccc(F)cc2)C1,CI,0
C=CC(=O)N1CC(=Cc2ccc(OC)cc2)C(=O)C(=Cc2ccc(OC)cc2)C1,CI,0
C=CC(=O)N1CC(=Cc2ccc(N(C)C)cc2)C(=O)C(=Cc2ccc(N(C)C)cc2)C1,CI,0
CSc1nc(N)nc(N)n1,CI,0
CN(C)c1nc(N(C)C)nc(N(C)C)n1,CI,0
CCCCOC(=O)CCC(Nc1nc(Cl)nc(Cl)n1)C(=O)OCCCC,CI,0
OCCN(CCO)c1nc(N(CCO)CCO)nc(N(CCO)CCO)n1,CI,0
CCOC(=O)C(C)(C(C)=O)c1nc(S)nc(S)n1,CI,0
Nc1nc(Cl)nc(Cl)n1,CI,0
O=S(=O)(O)CN(CS(=O)(=O)O)c1nc(N(CS(=O)(=O)O)CS(=O)(=O)O)nc(N(CS(=O)(=O)O)CS(=O)(=O)O)n1,CI,0
OCCNc1nc(Cl)nc(Cl)n1,CI,0
CON(C)c1nc(Cl)nc(Cl)n1,CI,0
Nc1nc(N)nc(CC(=O)O)n1,CI,0
COP(=O)(OC)c1nc(P(=O)(OC)OC)nc(P(=O)(OC)OC)n1,CI,0
C=CCN(CC=C)c1nc(Cl)nc(Cl)n1,CI,0
CON(C)c1nc(Cl)nc(N(C)OC)n1,CI,0
CNc1nc(N(C)C)nc(N(C)C)n1,CI,0
Clc1nc(Cl)nc(NCCBr)n1,CI,0
OCCN(CCO)CN(CO)c1nc(N(CO)CN(CCO)CCO)nc(N(CO)CN(CCO)CCO)n1,CI,0
CN(CO)c1nc(N(C)CO)nc(N(C)CO)n1,CI,0
COCN(COC)c1nc(CCC(Br)(Br)Br)nc(N(COC)COC)n1,CI,0
CCOC(=O)CCCCCNc1nc(Cl)nc(Cl)n1,CI,0
CC(=O)OCN(C)c1nc(N(C)COC(C)=O)nc(N(C)COC(C)=O)n1,CI,0
CCC(=O)OCN(C)c1nc(N(C)COC(=O)CC)nc(N(C)COC(=O)CC)n1,CI,0
CC(C)C(=O)OCN(C)c1nc(N(C)COC(=O)C(C)C)nc(N(C)COC(=O)C(C)C)n1,CI,0
CN(COC(=O)C(C)(C)C)c1nc(N(C)COC(=O)C(C)(C)C)nc(N(C)COC(=O)C(C)(C)C)n1,CI,0
OCCNCN(CNCCO)c1nc(N(CNCCO)CNCCO)nc(N(CNCCO)CNCCO)n1,CI,0
COCN(C)c1nc(N(C)C)nc(N(C)C)n1,CI,0
CCSCN(C)c1nc(N(C)C)nc(N(C)C)n1,CI,0
CN(C)CN(C)c1nc(N(C)C)nc(N(C)CN(C)C)n1,CI,0
CON(C)c1nc(N(C)OC)nc(N(C)OC)n1,CI,0
OCCNCNc1nc(NCNCCO)nc(N(CNCCO)CNCCO)n1,CI,0
Nc1nc(N)nc(Cl)n1,CI,0
NNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1,CI,0
NNC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1,CI,0
NNC(=O)C(=Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1,CI,0
NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1cccc([N+](=O)[O-])c1,CI,0
NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1ccc(Cl)cc1,CI,0
CCOC(=O)C(C#N)=C(O)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1,CI,0
CCOC(=O)C(C#N)=C(O)C(=Cc1ccc(Br)cc1)NC(=O)c1ccccc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NN)cc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)N=[N+]=[N-])cc1,CI,0
CCOC(=O)C(=Cc1ccc(N(CCC#N)CCC#N)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl,CI,0
COC(=O)C(=Cc1ccc(N(CCC#N)CCC#N)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl,CI,0
CN(C)NC(=O)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccccc1,CI,0
CC(C)(C)NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,CI,0
COc1ccccc1C=C(NC(=O)c1ccccc1)C(=O)NC(C)C,CI,0
CCCCNC(=O)C(=Cc1cccc(N(CC)CC)c1)NC(=O)c1ccccc1,CI,0
CCCCNC(=O)C(=Cc1ccc(OC)c(OC)c1)NC(=O)c1ccccc1,CI,0
CCCCCCCCCCCCCCCCNC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
CCC(C)NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
CCCCCCCCCCCCCCCCNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1,CI,0
CCCCCCNC(=O)C(=Cc1ccc(OC)cc1)NC(=O)c1ccccc1,CI,0
CCCCCCNC(=O)C(=Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC(CC(=O)O)C(=O)O)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC(CCC(=O)O)C(=O)O)cc1,CI,0
O=C(O)CCC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O,CI,0
O=C(O)CC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O,CI,0
CC(NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1)C(=O)O,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1,CI,0
O=C(O)CC(NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1)C(=O)O,CI,0
CC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O,CI,0
CCOC(=O)Nc1nc2ccccc2[nH]1,CI,0
CC(O)C(O)C(O)C(O)c1nc2ccccc2[nH]1,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)c1nc2ccccc2[nH]1,CI,0
NCCc1nc2ccccc2[nH]1,CI,0
C=CCCCCCCCCC(=O)NCc1nc2ccccc2[nH]1,CI,0
N=C(CSS(=O)(=O)O)NCCCc1nc2ccccc2[nH]1,CI,0
Cn1c(CCNC(=N)CSS(=O)(=O)O)nc2ccccc21,CI,0
N=C(CS)NCCc1nc2ccccc2[nH]1,CI,0
Clc1cc2nc[nH]c2cc1Cl,CI,0
Cc1nc2cc(N)c(Cl)cc2[nH]1,CI,0
CC(C)(CCc1nc2ccccc2[nH]1)C(=O)O,CI,0
C[NH+](C)c1nc2ccccc2[nH]1.[Cl-],CI,0
CCN(CC)CSc1nc2ccccc2[nH]1.Cl,CI,0
CCN(CC)CCSc1nc2cccc([N+](=O)[O-])c2[nH]1,CI,0
CCSc1nc2cccc([N+](=O)[O-])c2n1CC,CI,0
Cc1nc2cc(N)c(F)cc2[nH]1,CI,0
CC(=O)Nc1cc(Cl)cc2[nH]c(C)nc12.Cl,CI,0
Cl.N=C(N)Cn1cnc2ccccc21,CI,0
CCN(CC)CCn1c(C(C)(C)C)nc2ccccc21,CI,0
CC(=O)C(N=Nc1nc2ccc(Cl)cc2[nH]1)C(C)=O,CI,0
CC(=O)C(N=Nc1nc2ccccc2[nH]1)C(C)=O,CI,0
O=C(O)C=NNc1nc2ccccc2[nH]1,CI,0
Cc1nc2ccc(N=NN(C)C)cc2[nH]1,CI,0
CCc1nc2ccc(N=NN(C)C)cc2[nH]1,CM,1
NCCCn1c(Cl)nc2ccccc21,CI,0
CCOC(=O)CC(=O)Nc1cccc2nc[nH]c12,CI,0
CCCC(C(=O)Nc1cccc2nc[nH]c12)C(=O)OCC,CI,0
C=CCC(C(=O)Nc1cccc2nc[nH]c12)C(=O)OCC,CI,0
CNC(=O)Nn1c(SC)nc2ccccc21,CI,0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CI,0
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1Br,CI,0
COc1ccc(-c2coc3cc(OC)c(OC)c(OC)c3c2=O)cc1,CI,0
CCOc1ccc(-c2coc3cc(C)c(OCC)c(C)c3c2=O)cc1,CI,0
COc1ccc(-c2coc3c(OC)c(OC)c(OC)c(OC)c3c2=O)cc1,CI,0
CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(OC)cc1,CI,0
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,CI,0
COc1ccc(-c2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1,CI,0
CCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(CC)oc2c1,CI,0
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1,CI,0
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CI,0
COc1cc(-c2coc3cc(O)ccc3c2=O)c(O)c(OC)c1OC,CI,0
COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1OC,CI,0
O=C(O)Cc1cccc2c(=O)c(-c3ccccc3)coc12,CI,0
COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1,CI,0
C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1,CI,0
C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1,CI,0
C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,CI,0
COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1,CI,0
COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1,CI,0
O=c1c(-c2ccccc2)coc2cc(O)ccc12,CI,0
COc1ccc(-c2c(C(=O)O)oc3cc(O)ccc3c2=O)cc1OC,CI,0
CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1,CI,0
COc1cc(Br)c(-c2coc3c(OC)c(OC)ccc3c2=O)cc1OC,CI,0
O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12,CI,0
O=c1c(-c2cccc(O)c2)coc2cc(O)c(O)cc12,CI,0
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12,CI,0
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)c(O)cc12,CI,0
COc1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2cc1O,CI,0
OCC(O)C(O)C(O)c1nc2ccccc2s1,CI,0
OCC(O)C(O)C(O)C(O)c1nc2ccccc2s1,CI,0
O=Cc1nc2ccccc2s1,CI,0
CCOc1ccc2nc(NC(=O)CC(C)=O)sc2c1,CI,0
CCSC(=O)NNc1nc2ccccc2s1,CI,0
COc1cc(NCCN)c2ncsc2c1,CI,0
CCCN(CCC)c1nc2ccc(NC(=O)OCC)cc2s1,CI,0
CCCOC(=O)Nc1ccc2nc(N(C)C)sc2c1,CI,0
CC(O)(CCCCCl)c1nc2ccccc2s1,CI,0
CCOC(=O)C(=O)Nc1nc2c(OCC)cccc2s1,CI,0
CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1,CI,0
COC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
CCOC(=O)C(=O)Nc1nc2ccc(OC)cc2s1,CI,0
CCN(CC)CSc1nc2ccccc2s1,CI,0
NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1,CI,0
COC(=O)C(=NO)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1,CI,0
COC(=O)C(=NNC(C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1,CI,0
CCOc1ccc2nc(NC(=O)C(=O)C(C#N)CC(C)(C)C=O)sc2c1,CI,0
CCOP(=O)(CC(=NNC(C)(C)C)C(=O)Nc1nc2ccc(C)cc2s1)OCC,CI,0
CC(=S)NC=C(C#N)c1nc2ccccc2s1,CI,0
N#CC(=CNC(N)=S)c1nc2ccccc2s1,CI,0
CC(=O)NNC(=S)NC=C(C#N)c1nc2ccccc2s1,CI,0
C=CCNC(=S)NC=C(C#N)c1nc2ccccc2s1,CI,0
N#CC(=CNC(=S)C(N)=S)c1nc2ccccc2s1,CI,0
OC(c1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F,CI,0
Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C,CI,0
COc1ccc2nc(N=CN(C)C)sc2c1,CI,0
COC(=O)C(C)Sc1nc2cc(Cl)ccc2s1,CI,0
Nc1nccc(NCC2(CO)CCC2)n1,CI,0
Nc1ncc(Br)c(NCC2(CO)CCC2)n1,CI,0
Nc1ncc(C=O)c(NCC2(CO)CCC2)n1,CI,0
OCC1(CNc2cc(Cl)ncn2)CCC1,CI,0
Nc1c(Cl)ncnc1NCC1(CO)CCC1,CI,0
Nc1nc(Cl)cc(NCC2CC(O)(CO)C2)n1,CI,0
Nc1nc(Cl)cc(NCC2(O)CCC2)n1,CI,0
Nc1nc(Cl)cc(NCC2(O)CC(CO)C2)n1,CI,0
Nc1nc(Cl)c(Cl)c(NCC2(O)CCC2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CCC2)n1,CI,0
CC(O)C1(CNc2cc(Cl)nc(N)n2)CCC1,CI,0
Nc1nc(Cl)cc(NCC2(CCO)CCC2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(O)C2)n1,CI,0
COC1(OC)CC(CO)(CNc2cc(Cl)nc(N)n2)C1,CI,0
CC(C)C1CC(CO)(CNc2cc(Cl)nc(N)n2)C1,CI,0
CN(CC1(CO)CCC1)c1cc(Cl)nc(N)n1,CI,0
Nc1nc(Cl)c(N)c(NCC2(CO)CCC2)n1,CI,0
Nc1nc(Cl)c(N)c(NCC2(CO)CC(O)C2)n1,CI,0
Nc1nc(Cl)c(C=O)c(NCC2(CO)CCC2)n1,CI,0
COC1(OC)CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1,CI,0
CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1,CI,0
Nc1nc(Cl)c(CO)c(NCC2(CO)CCC2)n1,CI,0
Nc1nc(Cl)c(C=NO)c(NCC2(CO)CCC2)n1,CI,0
COC1(OC)CC(CO)(CNc2nc(N)nc(Cl)c2C=NO)C1,CI,0
CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2C=NO)C1,CI,0
CC(=O)Nc1nc(Cl)cc(NCC2(CO)CCC2)n1,CI,0
Nc1nc(O)cc(NCC2(CO)CCC2)n1,CI,0
CCOP(=O)(CC1CC(O)(CNc2cc(Cl)nc(N)n2)C1)OCC,CI,0
CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21,CI,0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1,CI,0
CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccccc21,CI,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccc(Br)cc1,CI,0
CC(C(=O)c1ccc(O)cc1)C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21,CI,0
COc1cc(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)ccc1O,CI,0
O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1,CI,0
O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)cc1Cl,CI,0
Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(C)cc(Cl)cc32)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cccc21)c1ccccc1,CI,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)C(C)C(=O)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Br)cc1Br,CI,0
Nc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Br)cc1,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)cc1,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)cc1Cl,CI,0
CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccc(Cl)cc21,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc([N+](=O)[O-])c1,CI,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccc(F)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(F)cc1,CI,0
C#CCN1CCCC(O)C1.O=C(O)C=CC(=O)O,CI,0
CCOC(=N)N1CCCCC1,CI,0
CC(=O)OC1CCN(C)CC1CCl,CI,0
CC(=O)NCCSSCCSC(=S)N1CCCCC1,CI,0
S=CN1CCCCC1,CI,0
Cl.OCC1NCC(O)C(O)C1O,CI,0
O=P(O)(O)C1CCCC(P(=O)(O)O)N1,CI,0
CC#CCCC1(CC)CCCN(C(=O)OC(C)C)C1OCC,CI,0
CCCCCCC(O)CCC1CCCC(C)N1,CI,0
CC1NCC(O)C(O)C1O,CI,0
CC(=O)CCCCCCCCCCCCC1CCC(C)C(O)N1,CI,0
S=C(S)N1CCCCC1.[NaH],CI,0
N#CC(C#N)=CN1CCCCC1,CI,0
O=C(CN1CCCCC1)CC(O)(C(F)(F)F)C(F)(F)F,CI,0
CC(=O)C(N1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F,CI,0
O=[N+]([O-])C(Cl)=C(C(Cl)=C(Cl)Cl)N1CCCCC1,CI,0
CC#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C,CI,0
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C,CI,0
CCCCN1CC(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1COC(=O)CCC,CI,0
CCCCON1CC(O)C(O)C(O)C1,CI,0
CCCCON1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1,CI,0
O=CC(O)C(O)C(O)C(O)CON1CC(O)C(O)C(O)C1,CI,0
Cl.NCCC1(N)CCNCC1,CI,0
Br.NCCC1([N+](=O)[O-])CCNCC1,CI,0
CN1CCC(O)(C(C)(C)C)CC1.O=C(O)C(=O)O,CI,0
CCCCN1C(CO)C(O)C(O)C(O)C1CO,CI,0
COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1,CI,0
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1,CI,0
O=C(Nc1ccccc1)Nc1ccccn1,CI,0
O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cn1,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cn1,CI,0
CSc1ccc(NC(=O)Nc2cc(C)ccn2)cc1,CI,0
Cc1cc(C)nc(NC(=O)Nc2ccccc2)c1,CI,0
COc1ccc(Cl)cc1NC(=O)Nc1cc(C)ccn1,CI,0
CCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccn2)cc1,CI,0
CCc1ccccc1NC(=O)Nc1cc(C)ccn1,CI,0
Cc1cccc(NC(=O)Nc2cccc(Cl)c2Cl)n1,CI,0
Cc1ccnc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1,CI,0
Cc1cccc(NC(=O)Nc2ccccc2)n1,CI,0
Cc1cccc(NC(=O)Nc2ccccc2Cl)n1,CI,0
Cc1ccnc(NC(=O)Nc2ccccc2Cl)c1,CI,0
Cc1ccnc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1,CI,0
CSc1ccc(NC(=O)Nc2cccc(C)n2)cc1,CI,0
CSc1ccc(NC(=O)Nc2cc(C)cc(C)n2)cc1,CI,0
O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1cc([N+](=O)[O-])ccc1F,CI,0
Cc1ccnc(NC(=O)Nc2cc(F)ccc2F)c1,CI,0
Cc1cc(C)nc(NC(=O)Nc2cc(Cl)ccc2C)c1,CI,0
Cc1cccc(NC(=O)Nc2ccccc2F)n1,CI,0
O=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl,CI,0
Cc1cc(C)nc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1,CI,0
O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1ccccc1F,CI,0
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C)ccn1,CI,0
Cc1ccnc(NC(=O)Nc2cc(Cl)ccc2Cl)c1,CI,0
CCOC(=O)c1ccc(NC(=O)Nc2ncccc2C)cc1,CI,0
CCOC(=O)c1ccc(NC(=O)Nc2ncc(Cl)cc2Cl)cc1,CI,0
CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1,CI,0
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cc(C)ccc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)cc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)ccc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cccc1C2=O,CI,0
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1c(C)cccc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1cccc(C)c1C2=O,CI,0
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cccc(C)c1C2=O,CI,0
COC(=O)c1c(C)cccc1C1CN=NC12Cc1c(C)cccc1C2=O,CM,1
COC(=O)c1ccccc1C1CN=NC12Cc1ccccc1C2=O,CI,0
COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccc(C)cc1C2=O,CM,1
COC(=O)c1cc(C)ccc1C1CN=NC12Cc1cccc(C)c1C2=O,CI,0
COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O,CI,0
COC(=O)c1cccc(C)c1C1CN=NC12Cc1c(ccc(C)c1C)C2=O,CI,0
COC(=O)c1cccc(C)c1C1CN=NC12Cc1cc(C)cc(C)c1C2=O,CI,0
COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccc(C)c(C)c1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc(C)c1C)C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cc(C)cc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)cc(C)c1C2=O,CI,0
COC(=O)c1c(C)cccc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O,CI,0
COC(=O)c1c(C)cccc1C1CN=NC12Cc1cc(C)cc(C)c1C2=O,CI,0
COC(=O)c1cc(C)ccc1C1CN=NC12Cc1c(C)cc(C)cc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)c(C)c1C2=O,CI,0
COC(=O)c1cc(C)ccc1C1CN=NC12Cc1ccc(C)cc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1c(C)ccc(C)c1C2=O,CI,0
COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccccc1C2=O,CM,1
COC(=O)c1c(C)cccc1C1CN=NC12Cc1cccc(C)c1C2=O,CI,0
Cc1ccccc1NC(=S)Nc1ccccn1,CI,0
COc1ccc(NC(=S)Nc2ccccn2)cc1,CI,0
CCOC(=O)c1ccc(NC(=S)Nc2ncccc2C)cc1,CI,0
Cc1cccnc1NC(=S)Nc1ccccc1Cl,CI,0
Cc1cccnc1NC(=S)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1ccc(NC(=S)Nc2ccccc2C)nc1,CI,0
S=C(Nc1ccccn1)Nc1ccccc1Cl,CI,0
COc1ccccc1NC(=S)Nc1ccccn1,CI,0
S=C(Nc1cccc(Cl)c1)Nc1ccccn1,CI,0
Cc1cccc(NC(=S)Nc2ccccc2Cl)n1,CI,0
COc1ccccc1NC(=S)Nc1cccc(C)n1,CM,1
Cc1cccc(NC(=S)Nc2cccc(Cl)c2)n1,CI,0
Cc1ccnc(NC(=S)Nc2ccccc2Cl)c1,CI,0
COc1ccccc1NC(=S)Nc1cc(C)ccn1,CI,0
Cc1ccnc(NC(=S)Nc2cccc(Cl)c2)c1,CI,0
Cc1cc(C)nc(NC(=S)Nc2ccccc2Cl)c1,CI,0
COc1ccccc1NC(=S)Nc1cc(C)cc(C)n1,CI,0
Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2)c1,CI,0
Cc1cc(C)nc(NC(=S)Nc2ccc(Cl)cc2)c1,CI,0
COc1ccc(NC(=S)Nc2cc(C)cc(C)n2)cc1,CI,0
Cc1cccc(NC(=S)Nc2ccc(Cl)cc2)n1,CI,0
COc1ccc(NC(=S)Nc2cccc(C)n2)cc1,CI,0
COc1ccc(NC(=S)Nc2cc(C)ccn2)cc1,CI,0
Cc1cc(C)nc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1,CI,0
O=[N+]([O-])c1ccc(NC(=S)Nc2ccccn2)cc1,CI,0
Cc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1,CI,0
Cc1ccnc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1,CI,0
CCCCNC1C2CCC(C)(C1O)C2(C)C,CI,0
CC1(C)C2CCC1(C)C(Cl)([N+](=O)[O-])C2,CI,0
N=C(CSS(=O)(=O)O)NC1CC2CCC1C2,CI,0
CC1(C)C2CCC1(C)C(NC(=N)CSS(=O)(=O)O)C2,CI,0
N=C(CSS(=O)(=O)O)NCC1CC2CCC1C2,CI,0
CCOC(=O)C1C2CCC(C2)C1(CCl)C(=O)OCC,CI,0
CC1(C)C2CCC1(C)C(NC(=O)COCCOCC(N)=O)C2,CI,0
CC1C2CC(CC2(C)O)C1(C)C,CI,0
CC1C2CC(CC2O)C1(C)C,CI,0
CC1C2CC(CC2N)C1(C)C,CI,0
CC(=O)NC1(C)C(C)C2CC1C(C)C2(C)C,CI,0
CC(=O)OC1CC2(C)C(OC(C)=O)CC1C2(C)C,CI,0
CCOC(=O)OC1C(Br)C2CCC1(C)C2(C)C,CI,0
COCCOCCOCCC(=O)NC1CC2CCC1(C)C2(C)C,CI,0
CCOC(=O)CC(=O)NC1CC2CCC1(C)C2(C)C,CI,0
CCCCC1(O)CC2CC1C(C)C2(C)C,CI,0
CC1(C)CC2(C)CC1CC2O,CI,0
COC1(OC)C2(Cl)CCC1(Cl)C(OC(C)=O)C2,CI,0
CC12CCC(CC1(Cl)Cl)C2,CI,0
CC(=N)OC1CC2CCC1(C)C2(C)C.Cl,CI,0
COC(=O)C(NS(=O)(=O)CC12CCC(CC1)C2(C)C)C(C)(C)C,CI,0
CC(C)(C)NC1C2CCC(C)(C1O)C2(C)C,CI,0
CC1(C)C2CCC(O)(C2)C1N.Cl,CI,0
CC1(C)C2CCC(CN)(C2)C1O.Cl,CI,0
CC1(C)C2CCC(CN)(C2)C1N.Cl,CI,0
CC1(C)C2CCC(N)(C2)C1O.Cl,CI,0
CC1(C)C2CCC(N)(C2)C1N.Cl,CI,0
COc1c2oc(=O)ccc2c(Br)c2c(Br)c(Br)oc12,CI,0
COc1c2occc2c([N+](=O)[O-])c2ccc(=O)oc12,CI,0
COc1c2occc2cc2ccc(=O)oc12,CI,0
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,CI,0
COc1c2ccoc2cc2oc(=O)ccc12,CI,0
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CN,CI,0
COCc1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12,CI,0
CC(=O)Oc1c2occc2cc2ccc(=O)oc12,CI,0
O=c1ccc2c(O)c3ccoc3cc2o1,CI,0
CCCCCCCCCC(=O)Oc1c2ccoc2cc2oc(=O)ccc12,CI,0
CCN(CC)CCOc1c2ccoc2cc2oc(=O)ccc12,CI,0
COc1c2occc2c(OC(C)C(=O)O)c2c(O)cc(=O)oc12,CI,0
CCC(Oc1c2ccoc2c(OC)c2oc(=O)cc(O)c12)C(=O)O,CI,0
O=c1ccc2cc3ccoc3c(OCCCCCCBr)c2o1,CI,0
COc1c2occc2c(CN)c2ccc(=O)oc12,CI,0
COc1c2occc2c(N)c2ccc(=O)oc12,CI,0
O=c1ccc2cc3ccoc3c(O)c2o1,CI,0
COc1c2occc2c(Cl)c2ccc(=O)oc12,CI,0
COc1c2occc2c(S(=O)(=O)O)c2ccc(=O)oc12,CI,0
Cc1c(C)c2cc3ccoc3cc2oc1=O,CI,0
Br.NCCOc1c2occc2cc2ccc(=O)oc12,CI,0
O=C(O)COc1c2occc2cc2ccc(=O)oc12,CI,0
CCOC(COc1c2occc2cc2ccc(=O)oc12)OCC,CI,0
Cc1cc(=O)oc2c(C)c3oc(CBr)cc3cc12,CI,0
Cc1cc(=O)oc2c(C)c3oc(CBr)c(Br)c3cc12,CI,0
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CO,CI,0
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCl,CI,0
COC1=CC(=O)C=C(OC)C1=O,CI,0
CC(C)=CCC1=C(O)C(=O)C(CC=C(C)C)=C(O)C1=O,CI,0
CCCCCCCCCCCCCCNC1=C(OC)C(=O)C(NCCCCCCCCCCCCCC)=C(OC)C1=O,CI,0
O=C1C(O)=C(O)C(=O)C(O)=C1O,CI,0
CCCCCCC1=C(O)C(=O)C(CCCCCC)=C(O)C1=O,CI,0
COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O,CI,0
CNC(=O)OCC1=CC(=O)C(OC)=CC1=O,CI,0
CNC(=O)OCC1=CC(=O)C(C)=CC1=O,CI,0
CNC(=O)OCC1=CC(=O)C=C(OC)C1=O,CI,0
CC1=C(O)C(=O)C(C)=C(O)C1=O,CI,0
COC1=CC(=O)C=C(CO)C1=O,CI,0
COC1=CC(=O)C(CO)=CC1=O,CI,0
O=C1C=C(Br)C(=O)C(Br)=C1,CI,0
COC(=O)C(C)NC1=C(Cl)C(=O)C(NC(C)C(=O)OC)=C(Cl)C1=O,CI,0
COC1=C(OC)C(=O)C(C(=O)CCCCC(=O)O)=C(C)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=CC1=O,CI,0
C#CC1=CC(=O)C(OC)=CC1=O,CI,0
CCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,CI,0
CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(OC)C1=O,CI,0
COC1=CC(=O)C(Br)=CC1=O,CI,0
CCCCCCC=CCCCCCCCCCC1=C(CN(C)C)C(=O)C=C(OC)C1=O.Cl,CI,0
CCCCC=CCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,CI,0
CC(=O)NC1=CC(=O)C=C(Cl)C1=O,CI,0
CC(C)=CCCC(C)C1=C(N)C(=O)C(C)=C(O)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(N)C1=O,CI,0
CNC1=C(C)C(=O)C(O)=C(C(C)CCC=C(C)C)C1=O,CI,0
CC(C)=CCCC(C)C1=CC(=O)C(C)=C(O)C1=O,CI,0
C=CCOc1ccc(C(N=Nc2ccccc2)=NNC(=O)c2ccccc2)cc1OC,CI,0
C=CCOc1ccc(C(N=Nc2ccc(C)cc2)=NNC(=O)c2ccccc2)cc1OC,CI,0
C=CCOc1ccc(C(N=Nc2ccc([N+](=O)[O-])cc2)=NNC(=O)c2ccccc2)cc1OC,CI,0
C=CCOc1ccc(C(N=Nc2ccc(Cl)cc2)=NNC(=O)c2ccccc2)cc1OC,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccccc1)=NNC(=O)c1cc(Cl)ccc1O,CI,0
Cc1ccc(N=NC(=NNC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(Cl)cc1)=NNC(=O)c1cc(Cl)ccc1O,CI,0
COc1cccc(N=NC(=NNC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Cl)ccc1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C(=O)O)cc1)=NNC(=O)c1cc(Cl)ccc1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccccc1)=NNC(=O)c1ccccc1,CI,0
Cc1ccc(N=NC(=NNC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(Cl)cc1)=NNC(=O)c1ccccc1,CI,0
COc1ccc(N=NC(=NNC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1ccccc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C(=O)O)cc1)=NNC(=O)c1ccccc1,CI,0
COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccccc1)=NNC(=O)c1cc(Br)ccc1O,CI,0
COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C)cc1)=NNC(=O)c1cc(Br)ccc1O,CI,0
COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(Cl)cc1)=NNC(=O)c1cc(Br)ccc1O,CI,0
COc1cccc(N=NC(=NNC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)c1,CI,0
COc1ccc(N=NC(=NNC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1,CI,0
COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Br)ccc1O,CI,0
COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C(=O)O)cc1)=NNC(=O)c1cc(Br)ccc1O,CI,0
Cc1cccc(N=NC(=NNC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1cccc(Cl)c1)=NNC(=O)c1cc(Cl)ccc1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc(Cl)ccc1O,CI,0
N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cccc(O)c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(F)cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
Cc1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1Cl,CI,0
CC(=O)c1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
COc1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
COc1ccc(OC)c(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1,CI,0
COc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(Br)cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
Cc1cc(Cl)ccc1NC(=O)C(=O)C(C(=O)c1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cccc(O)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
COc1ccc(NC(=O)C(=O)C(C(=O)c2ccccc2)C2OC(=O)c3ccccc32)c([N+](=O)[O-])c1,CI,0
NC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
CC(=O)c1ccc(NC(=O)C(=O)C(C(=O)c2ccc(Cl)c(Cl)c2)C2OC(=O)c3ccccc32)cc1,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(Br)cc1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
Cc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1,CI,0
COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(C)cc3)c2-c2ccccc2)cc1,CI,0
Cc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1,CI,0
COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C)c2-c2ccccc2)cc1,CI,0
COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2ccccc2Cl)c1-c1ccccc1,CI,0
COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(C)c2)c1-c1ccccc1,CI,0
COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1,CI,0
COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2-c2ccccc2)cc1,CI,0
COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(OC)cc3)c2-c2ccccc2)cc1,CI,0
COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C(=O)O)c2-c2ccccc2)cc1,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C(=O)O)c2-c2ccccc2)cc1,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1,CI,0
O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3Cl)c2-c2ccccc2)cc1,CI,0
O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2Cl)c1-c1ccccc1)Nc1ccc(Cl)cc1,CI,0
CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(C)c2)c1-c1ccccc1,CI,0
CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1,CI,0
CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(C)c3)c2-c2ccccc2)cc1,CI,0
CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3[N+](=O)[O-])c2-c2ccccc2)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2[N+](=O)[O-])c1-c1ccccc1,CI,0
Cc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1,CI,0
O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1,CI,0
COc1cccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)c1,CI,0
O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)c1-c1ccccc1)Nc1cccc(Cl)c1,CI,0
O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2C(=O)O)c1-c1ccccc1)Nc1ccc(Cl)cc1,CI,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
N=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,CI,0
N=c1ccn(C2OC(CO)C(O)C2Br)c(=O)[nH]1,CI,0
N=c1[nH]c(=O)n(C2OC(CO)C(O)C2Cl)cc1I,CI,0
N=c1[nH]c(=O)n(C2CCC(CO)O2)cc1F,CA,1
N=c1ccn(C2CC(F)C(CO)O2)c(=O)[nH]1,CA,1
C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(n2ccc(=N)[nH]c2=O)O1,CA,1
C[N+](C)(C)CCOP(=O)(O)OP(O)(=[OH+])OCC1CCC(n2ccc(=N)[nH]c2=O)O1.[LiH],CA,1
Cl.N=c1ccn(C2OC(C(O)CO)C(O)C2O)c(=O)[nH]1,CI,0
N=c1ccn(C2OC(CO)CC2F)c(=O)[nH]1,CA,1
N=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1F,CA,1
N=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1Cl,CI,0
N=c1ccn(C2OC(CO)C(F)C2F)c(=O)[nH]1,CI,0
COCc1cn(C2CCC(CO)O2)c(=O)[nH]c1=N,CI,0
COCc1cn(C2CC(F)C(CO)O2)c(=O)[nH]c1=N,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c(=N)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=N)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH],CI,0
CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)CC1O.[NaH],CI,0
CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)CC1O.[NaH],CI,0
CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH],CI,0
CCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH],CI,0
CCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH],CI,0
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH],CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=N.Cl,CI,0
CC1(CO)CCC(n2ccc(=N)[nH]c2=O)O1,CM,1
O=C(OCCNCCCl)c1ccc2c(c1)OCO2,CI,0
C=CCc1cc2c(cc1COCOCCOCCOCCCC)OCO2,CI,0
N#CCC(=O)NN=Cc1ccc2c(c1)OCO2,CI,0
C=C(CN(C)C)C(=O)c1ccc2c(c1)OCO2,CI,0
CCN(CC)C(=O)c1cccc2c1OCO2,CI,0
COC(OC)c1cc2c(cc1C=O)OCO2,CI,0
COC=Cc1cc2c(cc1C(OC)OC)OCO2,CI,0
CC[Si](CC)(CC)OC(C#N)c1ccc2c(c1)OCO2,CI,0
COC=Cc1ccc2c(c1)OCO2,CI,0
COC=C(Br)c1ccc2c(c1)OCO2,CI,0
CC(C(=O)O)C(=Cc1ccc2c(c1)OCO2)C(=O)O,CI,0
CC(=NNC(N)=S)c1ccc2c(c1)OCO2,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc2c(c1)OCO2,CI,0
ON=Cc1cc2c(cc1Br)OCO2,CI,0
O=Cc1ccc2c(c1I)OCO2,CI,0
ONN=Cc1cc2c(cc1Br)OCO2,CI,0
CC(=O)ON=Cc1cc2c(cc1Br)OCO2,CI,0
N#CC(C#N)=Cc1ccc2c(c1)OC(Cl)O2,CI,0
CC(=O)SC(C[N+](=O)[O-])c1ccc2c(c1)OCO2,CI,0
CC(C)=NOC(=O)Nc1cccc2c1OCO2,CI,0
I.N=C(N)NCc1ccc2c(c1)OCO2,CI,0
CN(C)C=NCc1ccc2c(c1)OCO2,CM,1
CC1(C)Oc2ccc(NC(=O)CCC(N)C(=O)O)cc2O1,CI,0
O=CCOCc1cc2c(cc1Br)OCO2,CI,0
O=[N+]([O-])C=CCOCc1cc2c(cc1Br)OCO2,CI,0
COCc1cc2c(cc1C=C[N+](=O)[O-])OCO2,CI,0
C[n+]1ccccc1C=NO,CI,0
C=Cc1cc[n+](CCCCCCCCCCCC)cc1,CI,0
CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,CI,0
Cc1cc(N)cc(C)[n+]1[O-],CI,0
Cc1ccc[n+]([NH-])c1N,CI,0
O=[N+]([O-])c1cc[n+]([O-])cc1,CI,0
Cc1cc[n+](CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1,CI,0
O=C(CCC[n+]1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F,CI,0
C=Cc1cc[n+]([Cu-2](Cl)Cl)cc1,CI,0
CCOC(=O)C(Cc1cc[n+]([O-])cc1)=NO,CI,0
Cc1cc(C#N)c[n+](C)c1.[I-],CI,0
Cc1cc(C)[n+]([O-])c(C)c1,CI,0
CCOc1cc[n+]([C-](C#N)C#N)cc1,CI,0
N#C[C-](C#N)[n+]1ccc(Cl)cc1,CI,0
CCCCCCCCCCOC(=O)c1cc[n+](C)cc1.[I-],CI,0
CN(C)C(=O)Oc1ccc(C=NO)[n+](C)c1.[I-],CI,0
CCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[n+]1ccccc1)OC,CI,0
C=Cc1ccc(C)[n+](C[Si](C)(C)O[Si](C)(C)C)c1.[I-],CI,0
CCCCCCCCCCCCCCCCOCC(COP(O)(=[OH+])OCC[n+]1ccc(N(C)C)cc1)OCC,CI,0
C[n+]1cccc(O)c1.[I-],CI,0
CCN(CC)C(=S)NN=C(C)c1cccc[n+]1[O-],CI,0
O=C(O)CCCC[n+]1ccccc1.[Br-],CI,0
O=C(O)CCCCC[n+]1ccccc1.[Br-],CI,0
O=C(O)CC[n+]1ccccc1.[Br-],CI,0
O=C(O)C[n+]1ccccc1.[Br-],CI,0
O=C(O)CCCCCCC[n+]1ccccc1.[Br-],CI,0
CC(=O)N(C(C)=O)n1c(Cc2ccc(Cl)cc2)nn(C(C)=O)c1=O,CI,0
CC(=O)Nn1c(Cc2ccc(Cl)cc2)nn(C)c1=O,CI,0
Nn1c(Cc2ccccc2)n[nH]c1=O,CI,0
CC(=O)N(C(C)=O)n1c(Cc2ccc(C)cc2)nn(C(C)=O)c1=O,CI,0
Nn1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O,CI,0
O=c1[nH]nc(Cc2ccc(Cl)cc2)n1O,CI,0
Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
O=c1[nH]nc(Cc2ccccc2)[nH]1,CI,0
O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)[nH]1,CI,0
Cn1nc(Cc2ccc(Cl)cc2)n(N)c1=O,CI,0
CCOC(=O)CCC(C)=Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
O=c1[nH]nc(Cc2ccccc2)n1O,CI,0
O=C(O)C=CC(=O)Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
O=C(O)CCCC(=O)Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
CC(=CC(=O)Nn1c(Cc2ccccc2)n[nH]c1=O)C(=O)O,CI,0
Cc1ccc(Cc2nn(C)c(=O)n2N)cc1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1CCO,CI,0
O=c1[nH]nc(Cc2ccc(Cl)cc2)n1CCO,CI,0
O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)n1CCO,CI,0
O=c1[nH]nc(Cc2ccccc2)n1CCCl,CI,0
CC(=O)OCCn1c(Cc2ccc(C)cc2)nn(C(C)=O)c1=O,CI,0
CC(=O)OCCn1c(Cc2ccc(Cl)cc2)nn(C(C)=O)c1=O,CI,0
CC(=O)OCCn1c(Cc2ccc([N+](=O)[O-])cc2)nn(C(C)=O)c1=O,CI,0
CC(=O)N(C(C)=O)n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
Cc1ccc(Cc2n[nH]c(=O)[nH]2)cc1,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccccc1O,CI,0
COc1ccc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc([N+](=O)[O-])c1,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc(O)cc1,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc(O)c1,CI,0
COc1cc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)ccc1O,CI,0
COc1ccc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC,CI,0
COc1cc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc(OC)c1OC,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccccc1O,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(O)c1,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(O)cc1,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C=C2C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc1OC,CI,0
COc1cc(C=C2C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc(OC)c1OC,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1,CI,0
CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3ccccc3O)C2=O)cc1,CI,0
COc1ccc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)cc1,CI,0
CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3ccc(O)cc3)C2=O)cc1,CI,0
COc1ccccc1C=C1C(=O)N(C(=O)c2ccc(NC(C)=O)cc2)N=C1C,CI,0
CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3cccc(O)c3)C2=O)cc1,CI,0
COc1cccc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)c1,CI,0
CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1,CI,0
COc1cc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)ccc1O,CI,0
COc1ccc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)cc1OC,CI,0
COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CA,1
COc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Br)c(O)c(C(=O)O)c5)c5cc(Br)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C,CM,1
COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(O)c(C(=O)OC)c2)cc(Cl)c1O,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(F)c(O)c(C(=O)O)c5)c5cc(F)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)NO)c5)c5cc(Cl)c(O)c(C(=O)NO)c5)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(F)c(OC)c(C(=O)OC)c2)cc(F)c1OC,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[CaH2],CI,0
CC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(C)=O)c(C(=O)O)c2)cc1C(=O)O.[NaH],CM,1
CCCC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)CCC)c(C(=O)O)c2)cc1C(=O)O.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)C(C)C)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)C(C)C)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)C(C)(C)C)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)C(C)(C)C)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CCCCC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)CCCC)c(C(=O)O)c2)cc1C(=O)O.[NaH],CM,1
CCCCOC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(O)c(C(=O)OCCCC)c2)cc(Cl)c1O,CI,0
CCCOC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(O)c(C(=O)OCCC)c2)cc(Cl)c1O,CI,0
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CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)OC(C)(C)C)c5)c5cc(Cl)c(O)c(C(=O)OC(C)(C)C)c5)CCC4(C)C3CCC12C,CI,0
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CCOC(=O)COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OCC(=O)OCC)c(C(=O)OCC(=O)OCC)c2)cc(Cl)c1OCC(=O)OCC,CI,0
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CC(C)CCCC(C)C1CCC2C1CCC1C3(C)CCC(CCC=C(c4cc(Cl)c(OCC(=O)O)c(C(=O)O)c4)c4cc(Cl)c(OCC(=O)O)c(C(=O)O)c4)CC3CCC21C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCC(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCC(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CI,0
Oc1ccccc1C=Nc1ccccc1S,CI,0
COc1cc(C=Nc2cc(Cl)c(N=O)c(Cl)c2)ccc1N(CCCCl)CCCCl,CM,1
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CCCc1ccc(N=Cc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
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CC(C)OC(=O)OCSc1ccccc1N=Cc1cccc([N+](=O)[O-])c1,CI,0
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CC(=Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1,CI,0
CC(=O)c1cccc(C(C)=O)c1N=Cc1ccccc1,CI,0
CC(=O)c1cccc(C(C)=O)c1N=Cc1ccc(O)cc1,CI,0
CC(=O)c1cccc(C(C)=O)c1N=Cc1ccc(Cl)cc1,CI,0
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O=[N+]([O-])c1ccc(N=Cc2ccccc2O)cc1,CI,0
O=[N+]([O-])c1cccc(N=Cc2ccccc2O)c1,CI,0
O=[N+]([O-])c1ccccc1N=Cc1ccccc1O,CI,0
CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)O)cc1,CI,0
Cc1ccc([S+](C)C)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1,CI,0
CC(C(=O)O)=C(C)c1ccccc1.CC(C(=O)O)=C(C)c1ccccc1,CI,0
CCCCOc1cccc(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
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Cc1ccc(S(=O)(=O)O)cc1.N#Cc1cccc(C=NNC(=N)NO)c1,CI,0
COc1ccc(OC)c(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(C(F)(F)F)cc1,CI,0
CC=CCOc1cc(NC(=S)OC(C)C)ccc1Cl.CC=CCOc1cc(NC(=S)OC(C)C)ccc1Cl,CA,1
COc1ccc(C=NNC(=N)NO)c(O)c1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
COc1cc(O)c(C=NNC(=N)NO)c(OC)c1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cc(I)cc(I)c1O,CI,0
COc1cc(C=NNC(=N)NO)cc(OC)c1OC.Cc1ccc(S(=O)(=O)O)cc1,CI,0
COc1ccc(C=NNC(=N)NO)c(OC)c1OC.Cc1ccc(S(=O)(=O)O)cc1,CI,0
COc1cc(OC)c(C=NNC(=N)NO)c(OC)c1.Cc1ccc(S(=O)(=O)O)cc1,CI,0
COc1cc(OC)c(OC)cc1C=NNC(=N)NO.Cc1ccc(S(=O)(=O)O)cc1,CI,0
COP(C)(=O)C(N)Cc1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CM,1
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO,CI,0
CC(C)=CCCC(O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,CI,0
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)(C)O)C1,CI,0
CC(CCC=CCO)C1CC(OS(=O)(=O)O)C2(O)C1(C)CCC1C3CCC(O)C(O)C3C(O)CC12O,CI,0
CC(CCC(C)C(C)(C)C)C1CCC2C3CC(O)C4CC(O)C(O)CC4(C)C3CCC12C,CI,0
CC12CCC3C(CCC4CC(OS(=O)(=O)O)CCC43C)C1CCC2CO.[NaH],CI,0
COC(=O)CCC(C)C1CCC2C3CCC4CC(CO)CCC4(C)C3CCC12C,CI,0
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COC(=O)CCC(C)C1CCC2C3CCC4CC(CSC(C)=O)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.[NaH],CI,0
CC(C)CCCC(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3CCC12C.[NaH],CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCO)CCC4(C)C3CCC12C,CI,0
CC(CO)CCCC(C)C1C(O)C(O)C2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,CI,0
CC(C)C(CCOS(=O)(=O)O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C.[NaH],CI,0
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CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C,CI,0
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CCC(C)(C)OC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0
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COc1ccc(C(C)=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
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Cc1ccc(C=NNS(=O)(=O)c2ccccc2)c(C)c1,CI,0
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CCC(=NNS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1,CI,0
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CCCOc1csc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)n1,CI,0
Cc1csc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)n1,CI,0
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CCOc1csc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)n1,CI,0
CCCOc1csc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)n1,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4ncc(C)s4)CCC32)C1,CI,0
COc1cnc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)s1,CI,0
CCOc1cnc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)s1,CI,0
CCCOc1cnc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)s1,CI,0
Cc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1,CI,0
COc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1,CI,0
CCOc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1,CI,0
CCCOc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1,CI,0
Cc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1,CI,0
COc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1,CI,0
CCOc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1,CI,0
CCCOc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1,CI,0
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)N1N=C(C)C(N=Nc2ccc(S(N)(=O)=O)cc2)C1=O,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1,CI,0
CC(=O)N(C(=O)CC(=O)N1N=C(C)C(N=Nc2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)C2=O)c1,CI,0
CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccccc3)N=C2C)cc1,CI,0
CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccc(C)cc3)N=C2C)cc1,CI,0
CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccccc3OC)N=C2C)cc1,CI,0
CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccc(Cl)cc3)N=C2C)cc1,CI,0
CCOc1ccccc1N=NC1C(=O)N(C(=O)CC(=O)Nc2ccccc2C)N=C1C,CI,0
CCOc1ccccc1N=NC1C(=O)N(C(=O)CC(=O)Nc2ccccc2OC)N=C1C,CI,0
CCOc1ccccc1N=NC1C(=O)N(C(=O)CC(=O)Nc2ccccc2Cl)N=C1C,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)N1N=C(C)C(N=Nc2ccc(C(=O)O)cc2)C1=O,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(C(=O)O)cc3)C2=O)c1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(C(=O)O)cc3)C2=O)cc1,CI,0
Cn1c(=O)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3nc-2c1=O,CI,0
Cc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21,CI,0
Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1,CI,0
Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c(C)c1,CI,0
Cc1cc(C)cc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1,CI,0
Cn1c(=O)nc2n(-c3cccc(Cl)c3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3cc(Cl)ccc3Cl)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3cccc(F)c3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(F)cc3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(F)c(F)c3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3cccc(Br)c3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3ccccc3nc-2c1=O,CI,0
CCc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21,CI,0
CCCCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1,CI,0
Cn1c(=O)nc2n(-c3ccc(O)cc3)c3ccccc3nc-2c1=O,CI,0
COc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1,CI,0
CSc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1,CI,0
Cn1c(=O)nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc(Cl)cc3nc-2c1=O,CI,0
Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(Cl)ccc3nc-2c1=O,CI,0
Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(-c3ccc(Cl)cc3)c2cc1C,CI,0
CCn1c(=O)nc2n(-c3ccc(SC)cc3)c3ccccc3nc-2c1=O,CI,0
CCn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc-2c1=O,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CI,0
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)cccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2Cl,CI,0
CCC1C(=O)OCc2c1cc1n(c2=O)C(CC)c2c-1nc1ccccc1c2Cl,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)c(OC)cc3nc2-1,CI,0
CCN(CC)CC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(CO)cc3nc2-1,CI,0
CCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCCCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCC1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCC1(OC(=O)CNC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,CI,0
CCC1(OC(=O)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.[NaH],CI,0
CCC1(OC(=O)C(N)CCCCN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCC1(OP(=O)(O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CI,0
CCC1(OC(=O)C(N)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCC1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0
CCC1(N)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CI,0
CN(C)CC1CCCC1=O,CI,0
CC(C)(C)OC(=O)NC1CCCC1=O,CI,0
CN(C)CC1CCCC1=O.Cl,CI,0
C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=O.[I-],CI,0
C=CCOC(=O)C1(C)C(=O)CCC1CCC=CC(C)=O,CI,0
CC(=O)C=CCCC1CCC(=O)C1(C)C(=O)OC(C)(C)C,CI,0
CN(C)CC1CCC(CN(C)C)C1=O.Cl,CI,0
COC(=O)C1(C)C(=O)CCC1C=O,CI,0
CCOC(=O)C1(C)CCC(C(=O)OC)C1=O,CI,0
CC(C)=CCCC(C)=CCCC(C)=CC1CCC(=O)C1(C)C,CI,0
CCOC(=O)C1(CC=C(C)Cl)CCCC1=O,CI,0
CCOC(=O)CC(C)C1(C(=O)OC)CCCC1=O,CI,0
CCOC(=O)CCC1(C(=O)OCC)CCCC1=O,CI,0
CCOC(=O)CCC1(C(=O)OC)CCCC1=O,CI,0
O=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,CI,0
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,CI,0
O=C1CCCC1C(O)(C(F)(F)F)C(F)(F)F,CI,0
O=C1C(C(O)(C(F)(F)F)C(F)(F)F)CCC1C(O)(C(F)(F)F)C(F)(F)F,CI,0
CCCCC(C)(CC=CC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC)O[Si](C)(C)C,CI,0
CCCCCC(C=CC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC)OCOCCOC,CI,0
CCCCCC(C=CC1CCC(=O)C1)OCOCCOC,CI,0
CCCCCC(C=CC1CC(=O)CC1O[Si](C)(C)C(C)(C)C)OCOCCOC,CI,0
CCOC(=O)C1(CC=CCBr)CCCC1=O,CI,0
CCOC(=O)C1(CC=CCCl)CCCC1=O,CI,0
O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CI,0
CCC(c1ccc(OC(C)=O)c(CC(Br)CBr)c1)C(CC)c1ccc(OC(C)=O)c(CC(Br)CBr)c1,CI,0
CCCCC(O)(Cc1ccccc1)c1ccc(OCCN(CC)CC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
CN(C)CCC(O)(Cc1ccccc1)c1cccc(Cl)c1,CI,0
CN(C)C(c1ccccc1)C(O)c1ccccc1,CI,0
COc1ccc(OC)c(CCc2cc(OC)ccc2OC)c1,CI,0
CN(C)CCNC(c1ccccc1)C(O)c1ccccc1,CI,0
NCCCCNC(c1ccccc1)C(O)c1ccccc1,CI,0
NC(=O)NC(=O)C(Cc1ccc(Cl)cc1)c1ccccc1,CI,0
CCN(CC)C(c1ccc(N(C)C)cc1)C(c1ccc(N(C)C)cc1)N(CC)CC,CI,0
COC(=O)CC(c1ccc(OC)cc1)C(CC(=O)OC)c1ccc(OC)cc1,CI,0
O=C(O)CC(c1ccccc1)C(CC(=O)O)c1ccccc1,CI,0
CC(O)(c1ccc(OCCC[N+](C)(C)C)cc1)C(C)(O)c1ccc(OCCC[N+](C)(C)C)cc1.[Br-],CI,0
COc1ccc(CCc2cc(OC)c(O)c(OC)c2)cc1,CI,0
COc1ccc(OC)c(CCc2cc(OC)c(OC)cc2C)c1,CI,0
CN(C)CCC(O)(c1ccccc1)C(O)(CCN(C)C)c1ccccc1,CI,0
O=C(O)c1cc(CCc2cc(O)ccc2O)ccc1O,CI,0
COc1ccc(OC)c(CCc2ccccc2CC(=O)O)c1,CI,0
COc1ccc(CCc2ccccc2CC(=O)O)cc1,CI,0
O=C(O)Cc1ccccc1CCc1ccccc1Cl,CI,0
CCC(O)(Cc1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
COC(=O)c1ccc(CCc2cc(O)ccc2O)cc1,CI,0
COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1,CI,0
CC(C)OC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1,CI,0
CC(C=CC1=C(C)CCCC1(C)C)=CC=C(C(=O)O)C(C)=CC(=O)O,CI,0
CCCCC(C(=O)O)C1=CCCCC1,CI,0
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,CI,0
O=C(O)CC1CC=CCC1CC(=O)O,CI,0
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O,CI,0
CC(=O)C1CC=C(C)CC1,CI,0
CC(C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CI,0
CC(=CCS(=O)(=O)CCNC(=N)N)CCC=C(C)CCC1(C)C(C)=CCCC1C,CI,0
CC(=CCCC(=CCS(=O)(=O)CCNC(=N)N)CO)CCC1(C)C(C)=CCCC1C,CI,0
CSC1C=C(C(C)C)CCC1(C)SC,CI,0
CC(=O)NC1CC(C(C)(C)NC(C)=O)CC=C1C,CI,0
CCNC1CC(C(C)(C)NCC)CC=C1C,CI,0
CCCCN=C(OC1C=CCCC1)SC,CI,0
COC(C)(C)C1=CCC(C)CC1,CI,0
C=CCOC(C)(C)C1=CCC(C)CC1,CI,0
CC1=C(C)CC(C#N)(C#N)C(C#N)(C#N)C1,CI,0
CC1=CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
CCOC(=O)NN(C(=O)OCC)C(C(=O)C1=CCCCC1)N(NC(=O)OCC)C(=O)OCC,CI,0
CC(=O)NC(C)(C)C1CC=C(C)CC1,CI,0
COC1(CCO)CC=CCC1(CCO)OC,CI,0
CC(C)(C)OC(=O)NCC(=O)NC1CC=CCC1NC(=O)CNC(=O)OC(C)(C)C,CI,0
CC(C)(C)OC(=O)NC1CC=CCC1NC(=O)OC(C)(C)C,CI,0
N#CCN(CC#N)C1CC=CCC1N(CC#N)CC#N,CI,0
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCC1,CI,0
Oc1ccc(Nc2ccccc2)cc1,CI,0
O=[N+]([O-])c1ccccc1Nc1ccccc1[N+](=O)[O-],CI,0
CC(C)=CCCC(C)=CCOC(=O)N(c1ccccc1)c1ccccc1,CI,0
Cc1cccc(Nc2ccccc2C(=O)O)c1C,CI,0
O=C(O)c1cccc(Nc2ccccc2C(=O)O)c1,CI,0
CC(=S)N(c1ccccc1)c1ccccc1,CI,0
Cc1cc([N+](=O)[O-])ccc1Nc1cccc(Cl)c1C,CI,0
CCc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CI,0
O=[N+]([O-])c1ccccc1Nc1ccccc1,CI,0
N#Cc1ccccc1Nc1ccccc1S,CI,0
CC(C)(C)c1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O,CI,0
CC(C)(C)c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O,CI,0
O=[N+]([O-])c1ccc(N(CCS(=O)O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1ccc(N(CCS)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
CN(C)CCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,CI,0
CCN(CC)CCCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,CI,0
CC(C)NCCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl.Cl,CI,0
CN(C)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl.Cl,CI,0
CCN(CC)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl,CI,0
CCN(CC)CCCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl.Cl,CI,0
[N-]=[N+]=CC(=O)CCC(=O)N(c1ccccc1)c1ccccc1,CM,1
COc1ccc(N(C(=O)NCCO)c2ccccc2)cc1,CI,0
O=C(O)c1cccc(Nc2c(C(=O)O)cccc2[N+](=O)[O-])c1,CI,0
CCNC(=S)NNC(=O)c1ccccc1Nc1ccccc1C(=O)NNC(=S)NCC,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N)CC2.O=C(O)C(O)C(O)C(=O)O,CI,0
COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,CI,0
CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)C(F)(F)F)CC2,CI,0
COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1C(NC(=O)C(F)(F)F)CC2,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C([N+](C)(C)C)CC2,CI,0
CCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,CI,0
COc1cc2c(c(OC)c1OC)-c1cccc(=O)cc1C(NC(C)=O)CC2,CI,0
CCOCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,CI,0
COc1c(O)c(O)cc2c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,CI,0
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CCOCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,CI,0
CCCCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2,CI,0
CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CCCCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,CI,0
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2,CI,0
CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1,CI,0
CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1,CI,0
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1,CI,0
CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2cc(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1,CI,0
COc1ccc(-c2cc(-c3ccc(C)cc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2cc(-c3ccccc3)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1,CI,0
CC(=O)OC1COC(n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=S,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OCC(O)C(O)C2O)c1=S,CI,0
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1,CI,0
COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1O,CI,0
CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1,CI,0
CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1,CI,0
COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)ccc1O,CI,0
CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
c1ccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
Fc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0
Clc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
Brc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0
O=[N+]([O-])c1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
Cc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0
FC(F)(F)c1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
COc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0
N#Cc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
CN(C)c1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
Clc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1Cl,CI,0
Clc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c(Cl)c1,CI,0
Clc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1Cl,CI,0
Clc1cc(Cl)cc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0
Clc1cccc(Cl)c1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2,CI,0
O=[N+]([O-])c1cc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)ccc1Cl,CI,0
O=[N+]([O-])c1ccc(Cl)cc1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2,CI,0
COc1cccc(OC)c1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2,CI,0
O=[N+]([O-])c1ccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=[N+]([O-])c1ccc(C2=NOC(c3ccccc3F)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=[N+]([O-])c1ccc(C2=NOC(c3ccc(Cl)cc3)N2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
COc1ccccc1C1ON=C(c2ccc([N+](=O)[O-])cc2)N1C12CC3CC(CC(C3)C1)C2,CI,0
N#Cc1cccc(C2ON=C(c3ccc([N+](=O)[O-])cc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccccc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccccc1O)SC(=N)N2,CI,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccc(O)cc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1cccc([N+](=O)[O-])c1)SC(=N)N2,CI,0
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)ccc1O,CI,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1OC,CI,0
Cc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1,CI,0
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc(OC)c1OC,CI,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccccc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccccc1O)SC(=N)N2,CI,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1,CI,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc(O)cc1)SC(=N)N2,CI,0
COc1cccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)c1,CI,0
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)ccc1O,CI,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc(O)cc1O)SC(=N)N2,CI,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1OC,CI,0
Cc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1,CI,0
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc(OC)c1OC,CI,0
COc1ccc(NC(=O)CC2SC(Nc3ccccc3C)=NC2=O)c([N+](=O)[O-])c1,CI,0
Cc1ccc(C)c(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3Cl)S2)c1,CI,0
CCOc1ccc(NC(=O)CC2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1,CI,0
Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3C)S2)c1,CI,0
Cc1cc(Cl)ccc1NC(=O)CC1SC(Nc2ccccc2Cl)=NC1=O,CI,0
Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1,CI,0
Cc1ccc(NC(=O)CC2SC(Nc3cccc(Cl)c3C)=NC2=O)cc1,CI,0
Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1,CI,0
O=C(CC1SC(Nc2ccccc2Cl)=NC1=O)Nc1ccc(Cl)cc1Cl,CI,0
Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3cccc(C)c3C)S2)c1,CI,0
CCOc1ccccc1NC(=O)CC1SC(Nc2ccc([N+](=O)[O-])cc2)=NC1=O,CI,0
Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1,CI,0
CCOc1ccc(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3Cl)S2)cc1,CI,0
Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2cccc(Cl)c2)S1,CI,0
Cc1ccc(C)c(NC(=O)CC2SC(Nc3ccccc3Cl)=NC2=O)c1,CI,0
CCOc1ccc(NC(=O)CC2SC(Nc3ccc(C)cc3)=NC2=O)cc1,CI,0
CCOc1ccc(NC2=NC(=O)C(CC(=O)Nc3ccccc3[N+](=O)[O-])S2)cc1,CI,0
CCOc1ccc(NC(=O)CC2SC(Nc3ccc(C)cc3C)=NC2=O)cc1,CI,0
COc1ccc(NC(=O)CC2SC(Nc3ccc(Cl)cc3C)=NC2=O)c([N+](=O)[O-])c1,CI,0
Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)c1,CI,0
Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)c1,CI,0
Cc1ccc(NC(=O)CC2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1C,CI,0
O=C(CC1SC(Nc2ccccc2Cl)=NC1=O)Nc1ccc(Cl)cc1,CI,0
Cc1cc(C=O)c(C)c2c1[nH]c1ccccc12,CI,0
CCn1c2ccc(C(=O)CCCN(C)C)cc2c2cc(C(=O)CCCN(C)C)ccc21.O=C(O)C=CC(=O)O,CI,0
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,CI,0
COC(=O)c1c(C(=O)OC)c(C(=O)OC)c2c([nH]c3ccccc32)c1C(=O)OC,CI,0
O=C(O)C(CO)NC(=O)n1c2ccccc2c2ccccc21,CI,0
CC(NC(=O)n1c2ccccc2c2ccccc21)C(=O)O,CI,0
COC(=O)c1cc(CC(C)C)c2c(c1)[nH]c1ccccc12,CI,0
COc1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1,CI,0
COc1cc(NC(C)=O)c2[nH]c3c(C)cc(NC(C)=O)c(C)c3c2c1,CI,0
COc1cc(N)c2[nH]c3c(C)ccc(C)c3c2c1,CI,0
CCCC(O)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1,CI,0
O=[N+]([O-])c1cc2c(cc1O)[nH]c1cccc([N+](=O)[O-])c12,CI,0
CCCCCC(=O)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1,CI,0
CCC(=NO)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1,CI,0
CC(=NN)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1,CI,0
Cc1cc(N)c(C)c2c1[nH]c1ccc(O)cc12,CI,0
CCOC(=O)Oc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1,CI,0
Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(Cl)cc12,CI,0
Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(O)cc12,CI,0
O=Cn1c2ccccc2c2ccccc21,CI,0
CN(C)C=Nn1c2ccccc2c2ccccc21,CI,0
CN(C)C=Nc1ccc2[nH]c3ccccc3c2c1,CI,0
CC(=O)Oc1c(OC(C)C)c(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c2[nH]c3ccccc3c12,CI,0
COC1=C(N)C(=O)c2ncccc2C1=O,CI,0
COC1=C(N=[N+]=[N-])C(=O)c2ncccc2C1=O,CI,0
NC1=C(Br)C(=O)c2ncccc2C1=O,CI,0
COC1=C(Br)C(=O)c2nc(C)ccc2C1=O,CI,0
COC1=C(N)C(=O)c2nc(C)ccc2C1=O,CI,0
COC1=CC(=O)c2nc(C)ccc2C1=O,CI,0
COC1=CC(=O)c2nc(COC(C)=O)ccc2C1=O,CI,0
COC1=CC(=O)c2nccc(C)c2C1=O,CI,0
COC1=C(C)C(=O)c2ncccc2C1=O,CI,0
COC1=C(C)C(=O)c2nc(Cl)ccc2C1=O,CI,0
COC1=C(C)C(=O)c2nc(C)ccc2C1=O,CI,0
COC1=C(C)C(=O)c2nc(COC(C)=O)ccc2C1=O,CI,0
COC1=C(C)C(=O)c2nccc(C)c2C1=O,CI,0
COC1=C(C)C(=O)c2nc(Cl)cc(C)c2C1=O,CI,0
CCCCCCCCC1=C(OC)C(=O)c2cccnc2C1=O,CI,0
CCCCCCCCC1=C(OC)C(=O)c2ccc(Cl)nc2C1=O,CI,0
CCCCCCCCC1=C(OC)C(=O)c2ccc(C)nc2C1=O,CI,0
CCCCCCCCC1=C(OC)C(=O)c2ccc(COC(C)=O)nc2C1=O,CI,0
CCCCCCCCC1=C(OC)C(=O)c2c(C)ccnc2C1=O,CI,0
CCCCCCCCC1=C(OC)C(=O)c2c(C)cc(Cl)nc2C1=O,CI,0
CCCCCCCCCCCCC1=C(OC)C(=O)c2cccnc2C1=O,CI,0
CCCCCCCCCCCCC1=C(OC)C(=O)c2ccc(C)nc2C1=O,CI,0
CCCC1=C(OC)C(=O)c2c(C)cc(Cl)nc2C1=O,CI,0
CCN(CC)C(=O)N1CCN(C)CC1,CI,0
S=C(S)N1CCNCC1,CI,0
O=C(CCBr)N1CCN(C(=O)CCBr)CC1,CI,0
CS(=O)(=O)OCCC(=O)N1CCN(C(=O)CCOS(C)(=O)=O)CC1,CI,0
O=CN1CCN(C=O)C(O)C1O,CI,0
CCOC(=O)C(CN1CCN(CC(NC=O)(C(=O)OCC)C(=O)OCC)CC1)(NC=O)C(=O)OCC,CI,0
CC1CN(C(=O)CCOS(C)(=O)=O)C(C)CN1C(=O)CCOS(C)(=O)=O,CI,0
CCN(CC)CCNCC(O)CN1CCN(C)CC1,CI,0
CC(=O)NN1CCN(C)CC1,CI,0
CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
CCOCCOCCCNCC(=O)N1CCN(C(=O)CNCCCOCCOCC)CC1,CI,0
ClCCCN1CCN(CCCl)CC1,CI,0
S=CN1CCN(C=S)CC1,CI,0
CC(C)=CC(=O)N1CCN(C(=O)C=C(C)C)CC1,CI,0
O=CN1CCN(C=S)CC1,CI,0
CC(=O)N1CCN(C=S)CC1,CI,0
CCOC(=O)N1CCN(C=S)CC1,CI,0
CCN(CC)C(=O)N1CCN(C=S)CC1,CI,0
N#CCCC(CC#N)N1CCN(C(CC#N)CCC#N)CC1,CI,0
COC(=O)CCN1CCN(CCO)CC1C,CI,0
N#CCCC(CC#N)N1CCN(CCO)CC1,CI,0
CNC(=S)C(C#N)=C(N)N1CCN(C)CC1,CI,0
NNC(=S)N1CCN(C(=S)NN)CC1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0
CCOC(=O)c1nc2ccccc2nc1Oc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccccc2nc1Oc1cc(OC)cc(OC)c1,CI,0
CCOC(=O)c1nc2ccccc2nc1Oc1ccc(OC)cc1,CI,0
CCOC(=O)c1nc2ccccc2nc1Oc1ccc(F)cc1,CI,0
CCOC(=O)c1nc2ccccc2nc1Oc1ccc(C#N)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1cc(OC)c(OC)c(OC)c1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1cc(OC)cc(OC)c1,CI,0
CCOC(=O)c1nc2ccccc2nc1Oc1ccc(C(=O)OC)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(OC)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(F)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(C#N)cc1,CI,0
CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(C(=O)OC)cc1,CI,0
O=C(O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O,CI,0
COc1cc(OC)cc(Oc2nc3ccccc3nc2C(=O)O)c1,CI,0
COc1cc(Oc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC,CI,0
N#Cc1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(OC)cc1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(F)cc1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(C#N)cc1,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(C(=O)OC)cc1,CI,0
CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O,CI,0
COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl,CA,1
COC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)I,CA,1
COC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)I,CA,1
COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)I,CA,1
COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Cl,CA,1
CC1(Br)C(=O)NC(=O)N(C2CC(F)C(CO)O2)C1N=[N+]=[N-],CA,1
CC1(Br)C(=O)NC(=O)N(C2CC(N=[N+]=[N-])C(CO)O2)C1N=[N+]=[N-],CA,1
CC1(Cl)C(=O)NC(=O)N(C2CC(N=[N+]=[N-])C(CO)O2)C1N=[N+]=[N-],CA,1
CC1(Br)C(=O)NC(=O)N(C2CC(O)C(CO)O2)C1N=[N+]=[N-],CM,1
CC1(Cl)C(=O)NC(=O)N(C2CC(O)C(CO)O2)C1N=[N+]=[N-],CI,0
CCOC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl,CI,0
CC(C)OC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
CC(C)OC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl,CI,0
CCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1
CCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl,CI,0
CCCCCCCCCCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br,CI,0
CCCCCCCCCCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl,CI,0
COc1ccccc1C=C1N=C(C)OC1=O,CI,0
CC1=NC(=Cc2ccc(C)cc2)C(=O)O1,CI,0
COc1c(OC(C)=O)ccc(C=C2N=C(C)OC2=O)c1[N+](=O)[O-],CI,0
CC1=NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1,CI,0
CC1=NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)O1,CI,0
COc1cccc(C=C2N=C(Cl)OC2=O)c1O,CI,0
CC1=NC(=Cc2ccc(N(C)C)cc2)C(=O)O1,CI,0
COc1ccc(C=C2N=C(C)OC2=O)cc1,CI,0
CC1=NC(=Cc2ccc(F)cc2)C(=O)O1,CI,0
CC1=NC(=Cc2ccccc2)C(=O)O1,CI,0
CC1=NC(=Cc2ccc(Cl)cc2)C(=O)O1,CI,0
CC1=NC(=Cc2ccc(Br)cc2)C(=O)O1,CI,0
CC1=NC(=Cc2ccccc2C)C(=O)O1,CI,0
CC1=NC(=Cc2cccc(F)c2)C(=O)O1,CI,0
CC1=NC(=Cc2cccc(Cl)c2)C(=O)O1,CI,0
CC1=NC(=Cc2ccccc2F)C(=O)O1,CI,0
CC1=NC(=Cc2cccc(Br)c2)C(=O)O1,CI,0
CC1=NC(=Cc2ccccc2Cl)C(=O)O1,CI,0
CC1=NC(=Cc2cccc(C#N)c2)C(=O)O1,CI,0
CC1=NC(=Cc2ccccc2Br)C(=O)O1,CI,0
CC1=NC(=Cc2ccc(C#N)cc2)C(=O)O1,CI,0
COC(=O)c1ccc(C=C2N=C(C)OC2=O)cc1,CI,0
COc1cccc(C2c3cc4c(cc3OC(C)(O)C2C)OCO4)c1O,CI,0
COc1cccc(C2c3cc4c(cc3OC(O)C2C)OCO4)c1OC,CI,0
CC1C(O)Oc2cc3c(cc2C1c1ccccc1O)OCO3,CI,0
COc1cccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)c1OC,CI,0
CCN(CC)C1Oc2cc3c(cc2C(c2cccc(OC)c2OC)C1C)OCO3,CI,0
COc1ccc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc1,CI,0
CCN(CC)C1Oc2cc3c(cc2C(c2ccc(OC)cc2)C1C)OCO3,CI,0
COc1ccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc1,CI,0
CC1C(NNC(N)=O)Oc2cc3c(cc2C1c1ccccc1O)OCO3,CI,0
COc1cccc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)c1OC,CI,0
COc1cc(C2c3cc4c(cc3OC(NN)C2C)OCO4)cc(OC)c1OC,CI,0
CCN(CC)C1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc(OC)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)c1O,CI,0
CCN(CC)C1Oc2cc3c(cc2C(c2cccc(OC)c2O)C1C)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(O)C2C)OCO4)cc(OC)c1O,CI,0
CCN(CC)C1Oc2cc3c(cc2C(c2cc(OC)c(O)c(OC)c2)C1C)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(NN)C2C)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(NN=C(C)C)C2C)OCO4)cc(OC)c1O,CI,0
CC(CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2cc2c(CNC(CCCNC(=N)N)C(=O)O)cccc21,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNC(CCC(N)=O)C(=O)O)c2ccccc21,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNC(CS)C(=O)O)c2ccccc21,CI,0
CC(C)C(NCc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(O)=[OH+],CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNCC(=O)O)c2ccccc21,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CCCNC(=N)N)C(=O)O)c2ccccc21,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CCC(N)=O)C(=O)O)c2ccccc21,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CS)C(=O)O)c2ccccc21,CI,0
CC(C)C(Nc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(O)=[OH+],CI,0
COS(=O)(=O)[OH2+].C[n+]1c2ccccc2c(NCC(=O)O)c2ccccc21,CI,0
N=C(N)NCCCC(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0
NC(=O)CCC(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0
O=C(O)C(CS)NCc1c2ccccc2[n+]([O-])c2ccccc12,CI,0
CC(C)C(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0
O=C(O)CNCc1c2ccccc2[n+]([O-])c2ccccc12,CI,0
N=C(N)NCCCC(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0
NC(=O)CCC(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0
O=C(O)C(CS)Nc1c2ccccc2[n+]([O-])c2ccccc12,CI,0
CC(C)C(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0
O=C(O)CNc1c2ccccc2[n+]([O-])c2ccccc12,CI,0
CN(C)CCCNc1c2ccccc2[n+](O)c2ccccc12.Cl.[Cl-],CI,0
COc1ccc2c(c1)CCC1C2CCC2(C)C(O)C(O)CC12,CI,0
C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,CI,0
CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2O,CI,0
CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2O,CI,0
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CC(O)C2O,CI,0
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2O.[NaH],CI,0
COc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12,CI,0
Cc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12,CI,0
CC(=O)OC1CCC2C3CCc4cc(O)c(I)cc4C3CCC12C,CI,0
CC12CCC3c4cc(I)c(O)cc4CCC3C1CCC2O,CI,0
CC(=O)Nc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12,CI,0
CCNc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12,CI,0
CC(=O)Oc1cc(Cl)c(C)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2,CI,0
CC(=O)Oc1ccc(C)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2,CI,0
CC(=O)Oc1cc(OC(C)=O)c2c(c1C)CCC1C2CCC2(C)C(OC(C)=O)CCC12,CI,0
CC(=O)Oc1cc(C)c(OC(C)=O)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2,CI,0
CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4CCC3C1CCC2O,CI,0
CC(=O)Oc1cc(C)c2c(c1)CCC1C3CCC(OC(C)=O)C3(C)CC(O[N+](=O)[O-])C21O,CI,0
CC(=O)Oc1cc2c(cc1OC(C)=O)C1CCC3(C)C(OC(C)=O)CCC3C1CC2,CI,0
CCOc1cc2c(c(OCC)c1O)CCC1C2CCC2(C)C(O)CCC12,CI,0
CCOc1cc2c(cc1O)C(O)CC1C2CCC2(C)C(O)CCC12,CI,0
CCOc1cc2c(cc1O)CCC1C2CCC2(C)C(N)CCC12.Cl,CI,0
CCCCCCC1OC(C(=O)OCCCC)C(C(=O)OCCCC)O1,CI,0
CCOC(=O)CCC1(C)OCC(COC)O1,CI,0
CS(=O)(=O)OCC1OCOC1COS(C)(=O)=O,CI,0
CCOC(=O)C(CCC1OCCO1)C(C)=O,CI,0
COP(=O)(CCC1OCCO1)OC,CI,0
COC(=O)CC1COC(C)(C)O1,CI,0
CN(C)CCN(C)CC1COC(C)(C)O1,CI,0
CC1(C)OC(COCCOCCCCCO)C(COCCOCCCCCO)O1,CI,0
C=C(CCC(Cl)C1COC(C=CC)O1)[Si](C)(C)C,CI,0
COC(=O)C(CCC1(C)OCCO1)C(C)=O,CI,0
COC(=O)C(CCC1(C)OCCO1)=[N+]=[N-],CI,0
CCOC(=O)CCCSCCCC1(CCCSCCCC(=O)OCC)OCCO1,CI,0
CC1(C)OC(CCC=CCO)C(CCC=CCO)O1,CI,0
FC(F)(F)C1(C(F)(F)F)OC(Cl)(Cl)C(Cl)(Cl)O1,CI,0
CC1(C)OC(C(C)(C)O)C(C(C)(C)O)O1,CI,0
CC1(C)OCC(COC(=O)C=[N+]=[N-])O1,CI,0
CC(C)OC(=O)C1OC(C)(C)OC1C(=O)OC(C)C,CI,0
CC1(C)OC(C(=O)O)C(C(=O)O)O1,CI,0
CCOC(=O)C=CC1OC(C)(C)OC1C=CC(=O)OCC,CI,0
COC(=O)C(NC(=O)OC(C)(C)C)C1COC(C)(C)O1,CI,0
CCOC(OCC)C(N)C(O)C(O)C1COC(C)(C)O1,CI,0
C=CC1OC(CCCOC(=O)C(C)(C)C)OC1CC,CI,0
O=c1oc2ccccc2cc1-c1ccccc1,CI,0
CCCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12,CI,0
COc1ccc(-c2c(O)c3c(OC)cc(OC)cc3oc2=O)cc1,CI,0
COc1ccc(-c2c(O)c3ccc(OC)cc3oc2=O)cc1,CI,0
COc1ccc2c(O)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1,CI,0
Cc1cc2c(C)c(-c3ccccc3)c(=O)oc2c(C#N)c1C,CI,0
Cc1c(-c2ccccc2)c(=O)oc2ccc(Cl)cc12,CI,0
CCOC(=O)C(C)(C)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1,CI,0
COc1ccc2c(N=[N+]=[N-])c(-c3ccccc3)c(=O)oc2c1,CI,0
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12,CI,0
Cc1c(-c2ccc(N)cc2)c(=O)oc2cc(O)ccc12,CI,0
O=C(O)Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12,CI,0
CCN(CC)C(=S)Nc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1,CI,0
CC(=O)Oc1ccc(-c2cc3ccccc3oc2=O)cc1OC(C)=O,CI,0
CC(=O)Oc1ccc2cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(=O)oc2c1,CI,0
CC(=O)Oc1ccc(-c2cc3ccccc3oc2=O)cc1,CI,0
CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)cc1,CI,0
CC(=O)Oc1ccccc1-c1cc2ccccc2oc1=O,CI,0
CC(=O)Oc1ccc2cc(-c3ccccc3OC(C)=O)c(=O)oc2c1,CI,0
COc1ccc(-c2cc3ccccc3oc2=O)cc1OC,CI,0
COc1ccc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1OC,CI,0
COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1,CI,0
CN(C)S(=O)(=O)N1C(=O)c2ccccc2C1=O,CI,0
COC(=O)C(CCC(=O)O)N1C(=O)c2ccccc2C1=O,CI,0
CN(C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,CI,0
N=C(N)SCN1C(=O)c2ccccc2C1=O,CI,0
O=C1c2ccccc2C(=O)N1CC(Cl)=CCl,CI,0
CCNc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O,CI,0
O=C(O)CCSCCCN1C(=O)c2ccccc2C1=O,CI,0
O=C(O)CC=C(C(=O)O)N1C(=O)c2ccccc2C1=O,CI,0
COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)C(=O)OC,CI,0
Nc1ccc2c(c1)C(=O)N(O)C2=O,CI,0
CS(=O)(=O)ON1C(=O)c2ccc(N)cc2C1=O,CI,0
CC(C)S(=O)(=O)ON1C(=O)c2ccc(N(C)C)cc2C1=O,CI,0
CC(C)S(=O)(=O)ON1C(=O)c2ccc([N+](=O)[O-])cc2C1=O,CI,0
CC=NN1C(=O)c2ccccc2C1=O,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(C)(=O)=O,CI,0
CS(=O)(=O)NN=CCN1C(=O)c2ccccc2C1=O,CI,0
CC(=O)C(CN1C(=O)c2ccccc2C1=O)C(C)=O,CI,0
CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)c2ccccc2C1=O,CI,0
C=C(C)C(C(=O)OC)N1C(=O)c2ccccc2C1=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(O)C2=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(N)C2=O,CI,0
CNN1C(=O)c2c(C)c(C)c(C#N)c(N)c2C1=O,CI,0
CCCCN(CCO)Cc1cc(Nc2c3ccccc3nc3ccccc23)ccc1O,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(=O)O)c(O)c3)c2c1,CI,0
COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O.CS(=O)(=O)O,CI,0
N=C(N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1,CI,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,CI,0
Sc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,CI,0
COc1cc(N)ccc1Nc1c2ccccc2nc2ccccc12,CI,0
CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc12,CI,0
CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccccc3nc12,CI,0
CN(C)CCNC(=O)c1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc12,CI,0
CN(C)CCNC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccccc3nc12,CI,0
Cl.Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCO)cccc23)cc1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCO)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NC(CO)(CO)CO)cccc23)cc1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NC(CO)(CO)CO)cccc23)cc1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCCN(CCO)CCO)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NNCCO)cccc23)cc1,CI,0
COc1cccc2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0
COc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c2c1,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c2c1,CI,0
Cn1c(=O)c2c(nc(NCC[N+](C)(C)C)n2C)n(C)c1=O,CI,0
CC(=O)O[Hg]CC(O)Cn1c(=O)c2c(ncn2C)n(C)c1=O,CI,0
CC(=O)N(C(C)=O)c1nc2c(c(=O)n(C)c(=O)n2C)n1C,CI,0
C=C(C)Cn1c(=O)c2c(ncn2C)n(C)c1=O,CI,0
Cn1cnc2[nH]c(=O)n(O)c(=O)c21,CI,0
CCC(CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CCO,CI,0
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,CI,0
O=C(O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21,CI,0
CCOC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21,CI,0
NC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21,CI,0
Cn1c(=O)c2[nH]cnc2n(CC(=O)O)c1=O,CI,0
CCOC(=O)Cn1c(=O)n(C)c(=O)c2[nH]cnc21,CI,0
Cn1c(=O)c2[nH]cnc2n(CC(N)=O)c1=O,CI,0
Cn1cnc2c1c(=O)n(CCNCCO)c(=O)n2C,CI,0
CC(=O)CCCCn1c(=O)c2c(nc(Br)n2C)n(C)c1=O,CI,0
CCS(=O)(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C,CI,0
CCS(=O)(=O)CCn1c(=O)c2c(ncn2C)n(C)c1=O,CI,0
CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CI,0
CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)CO,CI,0
Cn1c(=O)c2[nH]c(N=O)nc2n(C)c1=O,CI,0
Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)NCCCCl)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)O)n(C)c1=O,CI,0
CN(C)c1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
COc1ccccc1C=Cc1ccnc2ccccc12,CI,0
Cc1cc(C=Cc2ccnc3ccccc23)ccc1N(C)C,CI,0
Nc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
COc1ccc(C=Cc2ccnc3ccccc23)cc1OC,CI,0
CCOc1ccc(C=Cc2ccnc3ccccc23)cc1OCC,CI,0
COc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
COc1ccc(OC)c(C=Cc2ccnc3ccccc23)c1,CI,0
COc1cc(C=Cc2ccnc3ccccc23)cc(OC)c1OC,CI,0
Nc1ccccc1C=Cc1ccnc2ccccc12,CI,0
Nc1ccc(C=Cc2ccnc3ccccc23)c(N)c1,CI,0
COc1cc(OC)c(OC)cc1C=Cc1ccnc2ccccc12,CI,0
CSc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
Cc1ccc2nccc(C=Cc3ccc(N(C)C)cc3)c2c1,CI,0
CN(C)c1ccc(C=Cc2ccnc3c(O)cccc23)cc1,CI,0
COc1cc(OC)c(C=Cc2ccnc3ccccc23)c(OC)c1,CI,0
CCOC(=O)Nc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
CCN(CC)CCN(C)c1ccc(C=Cc2ccnc3ccccc23)cc1.O=C(O)C=CC(=O)O,CI,0
CNc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
COc1cc(C=Cc2ccnc3ccccc23)ccc1N(C)C,CI,0
CCCCCN(CCCCC)c1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0
COc1cc(N(C)C)ccc1C=Cc1ccnc2ccccc12,CI,0
NC1(C(=O)O)CCCC1,CI,0
NCC(=O)NC1(C(=O)O)CCCC1,CI,0
CCOC(=O)C(CO)NC(=O)C1(NC(C)=O)CCCC1,CI,0
O=S(=O)(O)OC1CCCC1S(=O)(=O)O,CI,0
CCOC(=O)C1(C)CCCC1N,CI,0
C[Si](C)(C)OC1CCCC1N,CI,0
CC(C)(C)OC(=O)NC1CCCC1O,CI,0
C[Si](C)(C)OC1CCCC1NCC#N,CI,0
C=C(CCCO)C1CCC(C)(O)C1C,CI,0
OCC1CCCC1O,CI,0
CN(CC#N)C1CCCC1(O)C=C[Si](C)(C)C,CI,0
COC(=O)C1(NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(C)=O)CCCC1,CI,0
OC1CCCC1C(O)(C(F)(F)F)C(F)(F)F,CI,0
CC(C)SC(NC(=O)C1C(C)(C)CCC1(C)C)C(=O)O,CI,0
CC1(C)CCC(C)(C)C1C(=O)NC(O)C(=O)O,CI,0
CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1,CI,0
CC(C)SC(C)(NC(=O)C1C(C)(C)CCC1(C)C)C(=O)O,CI,0
CCCC1C(CC)C(NC)C(C#N)(C#N)C1(C#N)C#N,CI,0
CCOC(=O)C1(C(=O)OCC)CC(C)C(O)C1,CI,0
CCOC(=O)C1(C(=O)OCC)CC(C)C(C)(O)C1,CI,0
C=C(C)C1(O)CCCC1NC(=O)OC(C)(C)C,CI,0
CC(=O)OC=COC1CCCC1,CI,0
Cc1ccc2c(c1)C(=O)C1(C2)Cc2ccc(C)cc2C1=O,CI,0
Cc1cccc2c1CC1(Cc3c(C)cccc3C1=O)C2=O,CI,0
Cc1ccc2c(c1)CC1(Cc3cc(C)ccc3C1=O)C2=O,CI,0
Cc1ccc2c(c1)C(=O)C1(C2)Cc2c(C)cccc2C1=O,CI,0
Cc1ccc2c(c1)C(=O)C1(C2)Cc2cccc(C)c2C1=O,CI,0
Cc1ccc2c(c1)CC1(Cc3c(C)cccc3C1=O)C2=O,CI,0
Cc1ccc2c(c1)C(=O)C1(Cc3ccccc3C1=O)C2,CI,0
Cc1cccc2c1CC1(Cc3ccccc3C1=O)C2=O,CI,0
Cc1ccc2c(c1)CC1(Cc3ccccc3C1=O)C2=O,CI,0
Cc1cccc2c1C(=O)C1(Cc3ccccc3C1=O)C2,CI,0
Cc1ccc2c(c1)CC1(Cc3cccc(C)c3C1=O)C2=O,CI,0
Cc1cc(C)c2c(c1)CC1(Cc3c(ccc(C)c3C)C1=O)C2=O,CI,0
Cc1ccc2c(c1C)CC1(Cc3c(C)ccc(C)c3C1=O)C2=O,CI,0
Cc1cc(C)c2c(c1)CC1(Cc3ccc(C)c(C)c3C1=O)C2=O,CI,0
Cc1ccc2c(c1C)CC1(Cc3ccc(C)c(C)c3C1=O)C2=O,CI,0
Cc1cc(C)c2c(c1)CC1(Cc3cc(C)c(C)cc3C1=O)C2=O,CI,0
Cc1cc(C)c2c(c1)CC1(Cc3c(C)cc(C)cc3C1=O)C2=O,CI,0
Cc1cc(C)c2c(c1)C(=O)C1(C2)Cc2c(ccc(C)c2C)C1=O,CI,0
Cc1cc(C)c2c(c1)CC1(Cc3c(C)ccc(C)c3C1=O)C2=O,CI,0
Cc1cc2c(cc1C)C(=O)C1(C2)Cc2c(ccc(C)c2C)C1=O,CI,0
Cc1cc2c(cc1C)C(=O)C1(C2)Cc2c(C)ccc(C)c2C1=O,CI,0
Nc1c(Cl)cccc1-c1c[nH]c(Cl)c1Cl,CI,0
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl,CI,0
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]c(Cl)c1Cl,CI,0
Nc1c(Cl)cccc1-c1c[nH]cc1Cl,CI,0
CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)cn1C,CI,0
CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c[nH]1,CI,0
CCOC(=O)c1c(Br)c(-c2ccc(OC)cc2)c(Br)n1C,CI,0
CCOC(=O)c1c(Br)c(-c2ccc([N+](=O)[O-])cc2)c(Br)n1C,CI,0
CCOC(=O)c1c(Br)c(-c2ccc(Br)cc2)c(Br)n1C,CI,0
CCOC(=O)c1[nH]c(Br)c(-c2ccc(Br)cc2)c1Br,CI,0
CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br,CI,0
CCOC(=O)c1c(-c2ccc(OC)cc2)ccn1C,CI,0
CCOC(=O)c1c(-c2ccc(Br)cc2)ccn1C,CI,0
CCOC(=O)c1cc(-c2ccc(OC)cc2)c([N+](=O)[O-])n1C,CI,0
CCOC(=O)c1cc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1C,CI,0
CCOC(=O)c1cc(-c2ccc(Cl)cc2)c([N+](=O)[O-])n1C,CI,0
CCOC(=O)c1cc(-c2ccc(OC)cc2)c([N+](=O)[O-])[nH]1,CI,0
CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])[nH]1,CI,0
CCOC(=O)c1c(-c2ccccc2)c(C)cn1C,CI,0
CCOC(=O)c1c(-c2ccccc2)c(OC)cn1C,CI,0
CCOC(=O)Nc1[nH]cc(-c2ccccc2)c1C#N,CI,0
Cc1nn(C(=O)CC(=O)Nc2ccccc2)c(C)c1N=Nc1ccccc1F,CI,0
Cc1nn(C(=O)CC(=O)Nc2ccc(Cl)cc2)c(C)c1N=Nc1ccccc1F,CI,0
Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1N=Nc1ccccc1F,CI,0
COc1cccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3F)c2C)c1,CI,0
COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2F)c1C,CI,0
Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1N=Nc1ccccc1Cl,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3Cl)c2C)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2Cl)c1C,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3C(=O)O)c2C)cc1,CI,0
COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3C(=O)O)c2C)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2C(=O)O)c1C,CI,0
Cc1nn(C(=O)CC(=O)Nc2ccc(Cl)cc2)c(C)c1N=Nc1ccccc1C(=O)O,CI,0
Cc1cccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2C)c1,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2C)cc1,CI,0
Cc1ccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccccc3)c2C)cc1C,CI,0
COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(C)c(C)c3)c2C)cc1,CI,0
Cc1ccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C)cc1C,CI,0
Cc1cccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccccc3)c2C)c1,CI,0
Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3cccc(C)c3)c2C)cc1,CI,0
COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3cccc(C)c3)c2C)cc1,CI,0
Cc1cccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C)c1,CI,0
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1,CI,0
COc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC,CI,0
O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1ccccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccc(Cl)cc3[nH]2)cc1,CI,0
O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3[nH]2)cc1,CI,0
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1,CI,0
COc1cc(C=C(NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(OC)c1OC,CI,0
O=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1ccccc1O)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
COc1ccccc1C=C(NC(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]1,CI,0
CC(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1,CI,0
COc1ccccc1C=C(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1,CI,0
O=C(NC(=Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1ccc(F)cc1)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1,CI,0
O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1,CI,0
CC1NCCc2c1[nH]c1ccc(O)cc21,CI,0
CC1(CO)NC(C(=O)O)Cc2c1[nH]c1ccccc21,CI,0
COc1ccc2[nH]c3c(c2c1)CCNC3CC(C)CCC=C(C)C,CI,0
CC=C(CCC1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C,CI,0
CC(=O)SCCC1c2[nH]c3ccccc3c2CCN1O,CI,0
CC1c2[nH]c3ccccc3c2CCN1O,CI,0
CC(C)=CC1c2[nH]c3ccccc3c2CC(C(=O)O)N1C(=O)OC(C)(C)C(Cl)(Cl)Cl,CI,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(C)CC3,CI,0
CCC1NC(C(=O)OC)Cc2c1[nH]c1ccccc21,CI,0
O=C(O)C1NCCc2c1[nH]c1ccccc21,CI,0
CCOC(=O)C(=CCC1NCCc2c1[nH]c1ccccc21)C(=O)OCC,CI,0
CCOC(=O)C(=CCC1NC(C(N)=O)Cc2c1[nH]c1ccccc21)C(=O)OCC,CI,0
CCOC(=O)C(CCC1NC(C(N)=O)Cc2c1[nH]c1ccccc21)C(=O)OCC,CI,0
CCOC(=O)C(CCC1c2[nH]c3ccccc3c2CC(C#N)N1C(=O)C(F)(F)F)C(=O)OCC,CI,0
CC1NCCc2c1[nH]c1cc(O)ccc21.Cl,CI,0
COC(=O)C1(C)NCCc2c1[nH]c1ccccc21,CI,0
COC(=O)C1(CC(=O)OC(C)(C)C)NCCc2c1[nH]c1ccccc21,CI,0
C=CCC(C(=O)OC)C1(C(=O)OC)NCCc2c1[nH]c1ccccc21,CI,0
C=CCC(C(=O)OCC)C1NCCc2c1[nH]c1ccccc21,CI,0
CCOC(=O)C1NCCc2c1[nH]c1ccccc21.Cl,CI,0
CN1CCc2c([nH]c3ccccc23)C1,CI,0
O=C(O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,CI,0
CC(=O)N(C)C(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(O)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COCCCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(C)(C)c1cc(C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O,CI,0
NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O,CI,0
Cc1cc(C(O)(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O,CI,0
COC(=O)c1cc(C(c2cc(C)c(O)c(C(=O)OC)c2)c2cc(C)c(O)c(C(=O)OC)c2)cc(C)c1O,CI,0
Cc1cc(C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O,CM,1
N.O=C(O)c1cc(C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)ccc1O,CM,1
Oc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1,CI,0
C=C(C)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CC(O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
OCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
OCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COc1ccc(C(SCC(N)C(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,CI,0
Cc1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc2O)c1,CI,0
Cc1ccc(O)c(C(c2cc(C)ccc2O)c2cc([N+](=O)[O-])ccc2O)c1,CI,0
CC(C)(C)c1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C(C)(C)C)ccc2O)c1,CI,0
CCCCCCCSCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[PH](=S)OC,CI,0
CC(=O)Nc1ncc([N+](=O)[O-])s1,CI,0
CC(CC(=O)N(C)C(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl,CI,0
CC(CC(=O)NC(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl,CM,1
CC(CC(=O)N(C)C(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)Cl,CI,0
Cc1csc(CCC(N)C(=O)O)n1,CI,0
NC(CCc1ncc(C(=O)O)s1)C(=O)O,CI,0
O=C(CO)CC(=O)C(=O)Nc1nc([N+](=O)[O-])cs1,CI,0
CCCCNc1nc(C#N)c(N)s1,CI,0
CSCCCNC(=O)c1csc(C(CSC)NC(=O)CCNC(=O)C(NC(=O)OCC(Br)(Br)Br)C(C)O)n1,CI,0
C=CCNc1nc(C#N)c(N)s1,CI,0
O=[N+]([O-])c1ncc(N(CCO)CCO)s1,CI,0
O=[N+]([O-])c1cnc(N(CCO)CCO)s1,CI,0
CNc1nc(C(N)=O)c(N)s1,CI,0
CC(=O)C(N=Nc1nccs1)C(C)=O,CI,0
Cc1csc(CP(=O)(OC(C)C)OC(C)C)n1,CI,0
CCOC(=O)Cc1cnc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)s1,CI,0
CCOC(=O)c1sc(SC)nc1N,CI,0
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCC)cs1,CI,0
CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1,CI,0
Cc1csc(NNC(N)=O)n1,CI,0
CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1,CI,0
CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0
COc1ccc(C=C2SC(=S)NC2=O)cc1,CI,0
O=C1NC(=S)SC1=Cc1ccc(Cl)cc1,CI,0
COc1cc(C=C2SC(=S)NC2=O)cc(OC)c1O,CI,0
COc1ccc(C=C2SC(=S)NC2=O)c(OC)c1OC,CI,0
COc1ccccc1C=C1SC(=S)NC1=O,CI,0
CC(C)CN(CC(C)C)CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S,CI,0
COc1cccc(C=C2SC(=S)N(C=C(C(C)=O)C(=O)NCC(=O)O)C2=O)c1O,CI,0
NC(=O)C(=CN1C(=O)C(=Cc2cccc(O)c2)SC1=S)C(N)=O,CI,0
COc1cccc(C=C2SC(=S)N(C=C(C#N)C(N)=O)C2=O)c1O,CI,0
NC(=O)C(=CN1C(=O)C(=Cc2ccccc2O)SC1=S)C(N)=O,CI,0
NC(=O)C(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O,CI,0
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C#N)C#N)C2=O)cc1,CI,0
N#CC(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O,CI,0
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C(C)=O)C(N)=O)C2=O)cc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O,CI,0
COc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O,CI,0
N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1Br,CI,0
CN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0
O=C(O)CCN(CCC(=O)O)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0
CC12CCC(C(Br)C1=O)C2(C)CS(=O)(=O)O,CI,0
CC1(C)C2CCC1(CS(=O)O)C(=O)C2.[Ag],CI,0
O=C(O)C1CC2CC(=O)C1C2,CI,0
COC(=O)C12CCC(CC1=O)C2(C)C,CI,0
CC1C2CC(CC2=O)C1(C)C,CI,0
CC1C2CC(C(S(=O)(=O)O)C2=O)C1(C)C.N,CI,0
CC1(C)C2CC(O)C1(C)CC2=O,CI,0
CC1(C)C2CC(=O)C1(C)C(O)C2Br,CI,0
CC(=O)OC1CC2C(=O)CC1(C)C2(C)C,CI,0
COC(=O)CC1C2CCC1C(=O)C2,CI,0
O=C(O)CC1CC2CC(=O)C1C2,CI,0
CC12CCC(C(Br)C1=O)C2(C)CBr,CI,0
O=C(O)C12CCC(CC1=O)C2,CI,0
Cl.NC12CCC(CC1=O)C2,CI,0
CC1(C)C(=O)C2(C(=O)O)CCC1C2,CI,0
CC12CCC(CC1=O)C2(C)CCC(N)=O,CI,0
COC(=O)C12CCC(C(F)(F)C1=O)C2(C)C,CI,0
CC1(C)C(=O)C2(OS(=O)(=O)C(F)(F)F)CCC1C2,CI,0
CC1(C)C(=O)C2(C#N)CCC1C2,CI,0
CC1(C)C(=O)C2(N)CCC1C2.Cl,CI,0
CCNC12CCC(C1)C(C)(C)C2=O.Cl,CI,0
N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1S,CI,0
Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1,CI,0
Cc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0
CN(C)c1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1,CI,0
COc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0
COc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O,CI,0
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1S,CI,0
Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1,CI,0
COc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0
N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O,CI,0
Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1,CI,0
N#Cc1c(-c2ccccc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O,CI,0
CN(C)c1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1,CI,0
Cc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
COCc1nc(C#N)c(N)o1,CI,0
C=CCc1oc(C)nc1CCCC,CI,0
CCCCc1nc(C)oc1C(C)C,CI,0
Cc1nc(N(C(C)C)C(C)C)c(C(C)C)o1,CI,0
CC(=O)OCc1nc(C#N)c(N)o1,CI,0
CCOP(=O)(Cc1nc(C#N)c(N)o1)OCC,CI,0
CC=CC=Cc1nc(C#N)c(N)o1,CI,0
COCCOCc1nc(C#N)c(N)o1,CI,0
N#Cc1nc(C(F)(F)F)oc1N,CI,0
CC(O)c1nc(C#N)c(N)o1,CI,0
C=C(C)c1nc(C#N)c(N)o1,CI,0
C=Cc1nc(C#N)c(N)o1,CI,0
CC(=O)NCc1nc(C#N)c(N)o1,CI,0
CC(=O)c1nc(C#N)c(N)o1,CI,0
CCOCCOCCOCc1nc(C#N)c(N)o1,CI,0
CC(=O)Nc1oc(C)nc1C#N,CI,0
CCCCCCCCCCCCCCCCCc1nc(C#N)c(N)o1,CI,0
CCOC(=O)C=Cc1nc(C#N)c(N)o1,CI,0
N#Cc1ncoc1N,CI,0
N#CCc1nc(C#N)c(N)o1,CM,1
Cc1ccc2c(c1)[nH]c(=S)n2C=C(C(N)=O)C(N)=O,CI,0
CCOP(=O)(OCC)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OC,CI,0
NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O,CI,0
CCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC,CI,0
CCOC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC,CI,0
N#CC(C#N)=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21,CI,0
N#CC(C#N)=Cn1c(=S)[nH]c2ccccc21,CI,0
CCOP(=O)(OCC)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)OC,CI,0
N#CC(=Cn1c(=S)[nH]c2ccccc21)C(N)=O,CI,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O,CI,0
CCOP(=O)(OCC)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OC,CI,0
NC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(N)=O,CI,0
CCOC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OCC,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C(C#N)C#N,CI,0
COC(=O)C(C#N)=Cn1c(=S)[nH]c2ccccc21,CI,0
CCCCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)C=C(C)C,CI,0
CCCCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)C=C(C)C,CI,0
CCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OCC,CI,0
CC(=O)n1c(=S)n(C(C)=O)c2ccccc21,CI,0
CC(=O)Nn1c(=S)[nH]c2ccccc21,CI,0
C=C(C)C(=O)N1c2ccc(OC)cc2CC1C(=O)OCC,CI,0
CC(CS)C(=O)N1c2ccccc2CC1C(=O)O,CI,0
CC(=O)Oc1c(C)cc2c(c1C)C(C)CN2C(C)=O,CI,0
CC(=O)N1CC(C)(C)c2c1cc(C)c(O)c2C,CI,0
CC(=O)Oc1c(C)cc2c(c1C)C(C)(C)CN2C(=O)C(C)(C)C,CI,0
Cc1cc2c(c(C)c1O)C(C)(C)CN2C(=O)C(C)(C)C,CI,0
CC(=O)N1CC(C)(C)c2c(C)c(O)c(C)c(C)c21,CI,0
CC(=O)NCCC1CN(C(=O)C=CI)c2ccccc21,CI,0
CS(=O)(=O)N1CC(CCl)c2ccc(O)cc21,CI,0
CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2COS(C)(=O)=O,CI,0
CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2CCl,CI,0
CS(=O)(=O)N1CC(CI)c2ccc(O)cc21,CI,0
CS(=O)(=O)OCC1CN(S(C)(=O)=O)c2cc(O)ccc21,CI,0
CN(C)CC(=O)N1CC(COS(C)(=O)=O)c2ccc(O)cc21,CI,0
C[N+](C)(C)c1ccc2c(c1)N(S(C)(=O)=O)CC2CCl.[Cl-],CI,0
CS(=O)(=O)N1CC(CCl)c2ccc([N+](=O)[O-])cc21,CI,0
CS(=O)(=O)N1CC(CCl)c2ccc(S)cc21,CI,0
CS(=O)(=O)N1CC(CCl)c2ccc(NO)cc21,CI,0
CC(=O)NCCC1CNc2ccccc21,CI,0
CC(=O)NCCC1CN(C(=O)C=CC#C[Si](C)(C)C)c2ccccc21,CI,0
CC1(Br)Cc2ccccc2C1=O,CI,0
CC(C)=CCC1(O)C(=O)c2ccccc2C1(O)C(=O)O,CI,0
C[N+](C)(C)CC1Cc2ccccc2C1=O.[I-],CI,0
COc1cc2c(c(OC)c1OC)C(=O)C(O)C2N.Cl,CI,0
Cl.NC1c2c(Cl)cccc2C(=O)C1O,CI,0
CC(=O)NC1Cc2ccccc2C1=O,CI,0
F.NC(CC(=O)O)C(=O)NC1Cc2ccccc2C1=O,CI,0
COC(=O)C1Cc2ccc(C)cc2C1=O,CI,0
CCOC(=O)C1Cc2ccc(C)cc2C1=O,CI,0
COC(=O)CCc1ccc2c(c1)C(=O)CC2,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C(Br)C2NC(=O)CCCCl,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C(O)C2NC(=O)CCCCl,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C(OC(=O)CCCCl)C2N.Cl,CI,0
O=C(O)CCc1ccc2c(c1)C(=O)CC2,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C(Br)C2NC(=O)NCCCl,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C(O)C2NC(N)=O,CI,0
COC(=O)C1Cc2c(C)cccc2C1=O,CI,0
COC(=O)Cc1cccc2c1CCC2=O,CI,0
COc1cc2c(c(OC)c1OC)C(=O)CC2N.Cl,CI,0
CCOC(=O)C1(CC=CCBr)Cc2ccccc2C1=O,CI,0
CC1(C)c2ccccc2C(=O)C1(Br)Cc1ccccc1,CI,0
O=C1c2ccccc2CC1(Br)C(Br)c1ccccc1,CI,0
CCOC(=O)C1(Cc2ccccc2)Cc2ccccc2C1=O,CI,0
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1=O,CI,0
CCOC(=O)C1(Cc2ccc(C)cc2)Cc2ccc(C)cc2C1=O,CI,0
COC(=O)c1ccc(C)cc1CC1Cc2cc(C)ccc2C1=O,CI,0
COC(=O)C1(Cc2ccc(C)cc2)Cc2c(C)cccc2C1=O,CI,0
COC(=O)C1(Cc2ccccc2C)Cc2ccc(C)cc2C1=O,CI,0
COC(=O)C1(Cc2cccc(C)c2)Cc2c(C)cccc2C1=O,CI,0
Cc1ccc(C(=O)O)c(CC2Cc3c(C)cccc3C2=O)c1,CI,0
Cc1cccc2c1CC(Cc1ccccc1C(=O)O)C2=O,CI,0
Cc1ccc2c(c1)C(=O)C(Cc1ccccc1C(=O)O)C2,CI,0
COC(=O)c1ccc(C)cc1CC1Cc2ccc(C)cc2C1=O,CI,0
COC(=O)c1ccccc1CC1Cc2cccc(C)c2C1=O,CI,0
COC(=O)c1ccc(C)cc1CC1Cc2cccc(C)c2C1=O,CI,0
O=C(O)c1ccccc1CC1Cc2ccccc2C1=O,CI,0
COC(=O)C1(Cc2ccccc2)Cc2c(C)ccc(C)c2C1=O,CI,0
COC(=O)c1c(C)cccc1CC1Cc2c(C)cccc2C1=O,CI,0
Cc1ccc(C)c2c1CC(Cc1ccccc1C(=O)O)C2=O,CI,0
COC(=O)c1ccccc1CC1Cc2c(C)ccc(C)c2C1=O,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cccc(C(F)(F)F)c6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(Cl)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C#N)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COc1ccc(CN2CC(C)N(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)C(C)C2)cc1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CC(C)(C)N(Cc6ccccc6)CC5(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COc1cccc(CN2CC(C)N(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)C(C)C2)c1,CI,0
COc1ccccc1CN1CC(C)N(N=Cc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)C(C)C1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CC(C)N(Cc6ccccc6)C(C)C5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(O)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6C#N)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6cccc(C#N)c6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C(C)(C)C)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6cccc(O)c6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6O)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc([N+](=O)[O-])cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(NC(C)=O)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COc1cccc(CN2CCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)c1,CI,0
Cn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
O=C1C=CC(=O)c2c1ccc1c2[nH]c2ccccc21,CI,0
COc1ccc2[nH]c3c4c(ccc3c2c1)C(=O)C=CC4=O,CI,0
COc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O,CI,0
Cc1cccc2c1c1ccc3c(c1n2C)C(=O)C=CC3=O,CI,0
Cc1cc2c(c3c1c1ccccc1n3C)C(=O)C=CC2=O,CI,0
Cc1cc2c3ccccc3n(C)c2c2c1C(=O)C=CC2=O,CI,0
Cc1cccc2c3ccc4c(c3n(C)c12)C(=O)C=CC4=O,CI,0
COc1cccc2c1c1ccc3c(c1n2C)C(=O)C=CC3=O,CI,0
CCCCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
COc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)C=CC4=O,CI,0
CCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
CC1=CC(=O)c2ccc3c4ccccc4n(C)c3c2C1=O,CI,0
Cn1c2cc(Cl)ccc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
Cn1c2ccc(Cl)cc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
Cc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O,CI,0
CCCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
Cc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)C=CC4=O,CI,0
COC(=O)c1c2c(c3c(c1C(=O)OC)c1ccccc1n3C)C(=O)C=CC2=O,CI,0
Cn1c2ccc(F)cc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0
Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12,CI,0
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
COc1ccc(C(CC(C)=O)c2c(O)c3ccccc3oc2=O)cc1OC,CI,0
COc1ccc2c(O)c(Cc3ccc(OC)c(OC)c3)c(=O)oc2c1,CI,0
O=c1oc2cccc(O)c2c(O)c1Cc1ccccc1,CI,0
CCCCN(CCCC)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
CC(=NN)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=O)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NO)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
C=CCN(CC=C)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=O)C(CN(CC(C)C)CC(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
COC(=O)NN=C(C)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NNC(=N)N)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CCN(CC)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CCCCN(C)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=O)C(CN(C(C)C)C(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NN(C)C)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CNN=C(C)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
CC(=NNC(N)=O)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
[N-]=[N+]=Nc1c(Cc2ccccc2)c(=O)oc2ccccc12,CI,0
N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1,CI,0
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1,CI,0
COc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0
CN(C)c1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0
Cc1ccc(-c2c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,CI,0
CCc1cc2c(cc1CCCC(=O)O)CC1(Cc3ccc(C(=O)O)cc3C1)C2,CI,0
CCOC(=O)C(C#N)=Cc1ccc2c(c1)CC1(C2)Cc2cc(CC)c(C(C)O)cc2C1,CI,0
CCc1cc2c(cc1C(=O)CCC(=O)O)CC1(C2)Cc2cc(CC)c(C(=O)CCC(=O)O)cc2C1,CI,0
Cc1cc2c(cc1C(=O)CCC(=O)O)CC1(C2)Cc2cc(C)c(C(=O)CCC(=O)O)cc2C1,CI,0
OC1c2ccccc2CC12Cc1ccccc1C2,CI,0
O=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
COC(=O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
O=C(O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
O=C(O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
COC(=O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
COC(=O)CCC(=O)c1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
COC(=O)CCCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
O=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=O)cc2C1,CI,0
COC(=O)C=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=CC(=O)OC)cc2C1,CI,0
COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc(CCC(=O)OC)cc2C1,CI,0
COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc(C(=O)CCC(=O)OC)cc2C1,CI,0
OCc1ccc2c(c1)CC1(Cc3ccc(C=NO)cc3C1)C2,CI,0
O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2ccc(CCCC(=O)O)cc2C1,CI,0
OCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0
COc1ccc(CC2COC(=O)C2Cc2ccccc2)cc1OC,CI,0
COc1ccc(CC2COC(=O)C2Cc2ccc(O)cc2)cc1OC,CI,0
COc1ccc(CC2COC(=O)C2Cc2cccc(O)c2)cc1OC,CI,0
COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1O,CI,0
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O,CI,0
COc1cc(CC2(O)C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O,CI,0
O=C1OCC(Cc2ccc(O)c(O)c2)C1Cc1ccc(O)c(O)c1,CI,0
COc1ccc(CC2COC(=O)C2Cc2ccc(O)c(O)c2)cc1OC,CI,0
COc1ccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc1O,CI,0
COc1cccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)c1,CI,0
COc1ccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc1,CI,0
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc(OC)c1,CI,0
COc1ccc(CC2COC(=O)C2Cc2cc(OC)c(O)c(OC)c2)cc1OC,CI,0
COc1ccc(CC2COC(=O)C2Cc2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1ccc(CC2COC(=O)C2Cc2cc(OC)c(OC)c(OC)c2)cc1OC,CI,0
COc1ccc(CC2COC(=O)C2Cc2ccc(Br)cc2)cc1OC,CI,0
COc1ccc(CC2COC(=O)C2Cc2cccc(Br)c2)cc1OC,CI,0
CC(=O)Oc1ccc(CC2COC(=O)C2Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0
COc1cc(CC2COC(=O)C2(O)Cc2ccc(O)c(OC)c2)ccc1O,CM,1
Cc1ccc(C)c(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c1,CI,0
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cccc(Cl)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
Cc1cccc(CC(C)(C)C)c1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
CCOc1ccccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
CCOc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)cc1,CI,0
Cc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)cc1C,CI,0
CC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
Cc1cc(Cl)ccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
Cc1cccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c1C,CI,0
Cc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c(C)c1,CI,0
Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
NC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,CI,0
CC1(C)OC(=O)C(=Cc2ccc(F)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccccc2F)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(C#N)c2)C(=O)O1,CI,0
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1,CI,0
COc1ccccc1C=C1C(=O)OC(C)(C)OC1=O,CI,0
COc1cccc(C=C2C(=O)OC(C)(C)OC2=O)c1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(Br)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(F)c2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(Cl)c2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2cccc(Br)c2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccccc2Br)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccc(C#N)cc2)C(=O)O1,CI,0
CC1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1,CI,0
CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1,CI,0
CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1Br,CI,0
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OC,CI,0
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC,CI,0
CC1(C)OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1,CI,0
Cc1ccc(NC2=NCCS2)c(C)c1,CI,0
CC1CN=C(Nc2ccccc2)S1,CI,0
CC1CN=C(Nc2cccc(C(F)(F)F)c2)S1,CI,0
COc1ccccc1NC1=NCC(C)S1,CI,0
CC1CN=C(Nc2ccc(F)c(Cl)c2)S1,CI,0
CC1CN=C(Nc2ccc(F)cc2F)S1,CI,0
CC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)S1,CI,0
CNC(=O)N(C1=NCC(C)S1)c1ccc(C)c(C)c1,CI,0
CC1(C)CN=C(Nc2ccc(Cl)cc2)S1,CI,0
CC1(C)CN=C(Nc2ccc(F)c(Cl)c2)S1,CI,0
CC1(C)CN=C(Nc2ccc(F)cc2)S1,CI,0
CC1(C)CN=C(Nc2cccc(C(F)(F)F)c2)S1,CI,0
CC1(C)CN=C(Nc2ccc(F)c(F)c2)S1,CI,0
CC1CN=C(Nc2cccc(F)c2)S1,CI,0
Fc1cccc(NC2=NCC(CI)S2)c1,CI,0
FC(F)(F)c1cccc(NC2=NCC(CI)S2)c1,CI,0
Fc1ccc(NC2=NCC(CI)S2)c(F)c1,CI,0
NS(=O)(=O)c1ccc(NC2=NCC(CI)S2)cc1,CI,0
CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC,CI,0
CCOC(=O)C(=Cc1ccc(OCc2ccccc2)cc1)P(=O)(OCC)OCC,CI,0
CCN(CC)CCNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-],CI,0
COc1ccc(CC#N)c(OCc2ccccc2)c1,CI,0
O=S(O)c1cc(Cl)cc(Cl)c1OCc1ccccc1.[NaH],CI,0
O=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1,CI,0
COc1cc(Cl)cc(N(O)C(C)=O)c1OCc1ccccc1,CI,0
COc1cc(C(C[N+](=O)[O-])SC(C)=O)ccc1OCc1ccccc1,CI,0
C#CCC(O)c1ccc(OC)c(OCc2ccccc2)c1,CI,0
C=CCc1c(C(O)CNC(C)C)ccc(OC)c1OCc1ccccc1.CC(=O)O,CI,0
C=C(Cl)c1c(OC)cccc1OCc1ccccc1,CI,0
CC(=NO)c1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CI,0
O=C(NO)c1cccc(OCc2ccc(Br)cc2)c1,CI,0
CN(O)C(=O)c1ccc(OCc2cccc(Cl)c2)cc1,CI,0
O=C(NO)c1ccc(OCc2ccccc2)cc1,CI,0
O=C(NO)c1ccc(OCc2cccc(Cl)c2)cc1,CI,0
O=C(Cc1ccc(OCc2cccc(Cl)c2)cc1)NO,CI,0
O=C(C=Cc1ccc(OCc2cccc(Cl)c2)cc1)NO,CI,0
CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1,CI,0
CN(O)C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1,CI,0
O=C1NC(=O)C(=Cc2ccccc2Br)C(=O)N1,CI,0
CN(C)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1,CI,0
Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1,CI,0
Cc1cccc(C=C2C(=O)NC(=O)NC2=O)c1,CI,0
O=C1NC(=O)C(=Cc2ccc(F)cc2)C(=O)N1,CI,0
COc1ccccc1C=C1C(=O)NC(=O)NC1=O,CI,0
O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1,CI,0
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1,CI,0
O=C1NC(=O)C(=Cc2ccc(Cl)cc2)C(=O)N1,CI,0
Cc1ccccc1C=C1C(=O)NC(=O)NC1=O,CI,0
O=C1NC(=O)C(=Cc2cccc(F)c2)C(=O)N1,CI,0
O=C1NC(=O)C(=Cc2cccc(Cl)c2)C(=O)N1,CI,0
O=C1NC(=O)C(=Cc2ccccc2F)C(=O)N1,CI,0
O=C1NC(=O)C(=Cc2cccc(Br)c2)C(=O)N1,CI,0
O=C1NC(=O)C(=Cc2ccccc2Cl)C(=O)N1,CI,0
N#Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1,CI,0
O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1,CI,0
O=C1NC(=O)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N1,CI,0
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC,CI,0
COc1ccccc1C=C1N=C(c2ccccc2)OC1=O,CI,0
COc1cccc(C=C2N=C(c3ccccc3)OC2=O)c1OC,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1Cl,CI,0
Nc1ccc(C2=NC(=Cc3cccc(N)c3)C(=O)O2)cc1,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1c(O)cc(O)cc1O,CI,0
CC(=O)Nc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1cc(Cl)ccc1Cl,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1ccccc1O,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1ccc(Br)cc1,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1ccccc1Cl,CI,0
COc1cc(C=C2N=C(c3ccccc3)OC2=O)cc(OC)c1OC,CI,0
CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1O,CI,0
CC(=O)Nc1ccc(C2=NC(=Cc3ccc(Cl)c(Cl)c3)C(=O)O2)cc1,CI,0
CC(=O)Nc1ccc(C2=NC(=Cc3ccc(Cl)cc3)C(=O)O2)cc1,CI,0
COc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1,CI,0
CS(=O)(=O)N(CCC#N)c1ccc(C=C2N=C(c3ccccc3Cl)OC2=O)cc1,CI,0
CN(C)c1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1,CI,0
Cc1ccccc1C=C1N=C(c2ccccc2)OC1=O,CI,0
COc1ccc(-n2nc(C)ccc2=O)cc1,CI,0
COc1ccc(-n2nc(C)cc(Cl)c2=O)cc1,CI,0
COc1ccc(-n2nc(C)cc(N)c2=O)cc1,CI,0
CCOC(=O)c1ccc(-n2nc(C)cc(Cl)c2=O)cc1,CI,0
O=c1cc(Cl)c(Cl)nn1-c1ccccc1,CI,0
Nc1cc(=O)n(-c2ccccc2)nc1Cl,CI,0
Cc1cc(Cl)c(=O)n(-c2ccccc2)n1,CI,0
CCOc1cnn(-c2ccccc2)c(=O)c1Cl,CI,0
NNc1cnn(-c2ccccc2)c(=O)c1Cl,CI,0
O=c1c(Cl)c(Cl)cnn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CCOc1ccc(-n2nc(C(=O)O)cc(Cl)c2=O)cc1,CI,0
O=c1c(Cl)c(Cl)cnn1-c1ccccc1,CI,0
N#Cc1c(N)c(C(=O)O)nn(-c2cccc(C(F)(F)F)c2)c1=O,CI,0
CC(C)(C)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O,CI,0
COC(=O)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O,CI,0
O=c1c(NO)c([N+](=O)[O-])cnn1-c1ccccc1,CI,0
NC(=S)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O,CI,0
COC(=O)c1nn(-c2ccccc2)c(=O)cc1N=[N+]=[N-],CI,0
CN(N)c1cnn(-c2ccccc2)c(=O)c1Cl,CI,0
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1,CI,0
O=C1C(=Cc2ccc(Cl)c(Cl)c2)CCCC1=Cc1ccc(Cl)c(Cl)c1,CI,0
O=C1C(=Cc2ccc(F)cc2)CCCC1=Cc1ccc(F)cc1,CI,0
O=C1C(=Cc2ccc(Br)cc2)CCCC1=Cc1ccc(Br)cc1,CI,0
CN(C)CCCOc1ccc(C=C2CCCC(=Cc3ccc(OCCCN(C)C)cc3)C2=O)cc1,CI,0
CC(=C1CCCC(=C(C)c2ccccc2)C1=O)c1ccccc1,CI,0
CC1CC(=Cc2ccc(O)c(O)c2)C(=O)C(=Cc2ccc(O)c(O)c2)C1,CI,0
CC1CC(=Cc2ccc(OC(=O)C(C)(C)C)cc2)C(=O)C(=Cc2ccc(OC(=O)C(C)(C)C)cc2)C1,CI,0
COc1cc(C=C2CC(C)CC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0
CN(C)Cc1cc(C=C2CCCC(=Cc3ccc(O)c(CN(C)C)c3)C2=O)ccc1O,CI,0
O=C1C(=Cc2ccc(O)cc2)CCCC1=Cc1ccc(Cl)c(Cl)c1,CI,0
COc1cc(C=C2CCC(C)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC,CI,0
CC1CCC(=Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1,CI,0
CC1CCC(=Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(F)cc1,CI,0
COc1ccc(C=C2CCC(C)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC,CI,0
CC1CCC(=Cc2ccc(N(C)C)cc2)C(=O)C1=Cc1ccc(N(C)C)cc1,CI,0
COc1cc(C=C2CCCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O,CI,0
O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)CCCC1=Cc1ccc(O)c([N+](=O)[O-])c1,CI,0
CC(C)(C)c1cc(C=C2CCCC(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc(C(C)(C)C)c1O,CI,0
COc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1OC,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(F)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(Cl)cc1,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1,CI,0
COc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(Br)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccccc1,CI,0
COc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(C)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1cccc(C(=O)O)c1,CI,0
COc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1OC,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(Br)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(Cl)cc1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(F)cc1,CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1ccccc1C)c(C)[n+]2[O-],CI,0
Cc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1,CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-],CI,0
CCOc1ccc(NC(=O)C(=O)CC(=O)c2c[n+]([O-])c3cc(C)c(C)cc3[n+]2[O-])cc1,CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C)c(C)[n+]2[O-],CI,0
CCOc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1,CI,0
CCOc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1C,CI,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C)c(C)[n+]2[O-],CI,0
Cc1c(C(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-],CI,0
Cc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Nc1nc(N)c2cc(Cl)ccc2n1,CI,0
COC(=O)Nc1nc(O)c2cc(SC)ccc2n1,CI,0
O=[N+]([O-])c1ccc2cnc(O)nc2c1,CI,0
CNc1nc(O)c2cc(OC)c(OC)cc2n1,CI,0
COC(=O)Nc1nc(O)c2ccccc2n1,CI,0
Oc1ncnc2cccc(Cl)c12,CI,0
NNc1ncnc2cccc(Cl)c12,CI,0
COC(=O)Nc1nc(O)c2cc(OC)c(OC)cc2n1,CI,0
COc1cc([N+](=O)[O-])c(OC)c2c(O)nc(O)nc12,CI,0
Cc1nc(C(=O)O)c2ccccc2n1,CI,0
Clc1ccc2c(Cl)ncnc2c1I,CI,0
CCOc1ncnc2ccc(Cl)c(I)c12,CI,0
N#CCc1nc(O)c2ccccc2n1,CM,1
O=[N+]([O-])c1ccc2nc(S)nc(S)c2c1,CI,0
OCC(O)C(O)C(O)C=NNc1nc(O)c2ccccc2n1,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)OC(C)=O,CI,0
OCC(O)C(O)C(O)C(O)C=NNc1nc(O)c2ccccc2n1,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)OC(C)=O,CI,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C1CCC2N(CCO)CCO,CI,0
CC12CCCC1C1CC=C3CC(S)CCC3(C)C1CC2,CI,0
CC(C)CCCC(C)C1CCC2C3CC([N+](=O)[O-])=C4CC(O)CCC4(C)C3CCC12C,CI,0
CCC1(O)CCC2C3CC=C4CCCCC4C3CCC21C,CI,0
CC(=O)OC1CC2(C)C(C(C)=O)CCC2C2CC=C3CC(O)CCC3(C)C12,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C,CI,0
CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C(O)CCC12,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(=O)NCCN(C)C)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(=O)NCC[N+](C)(C)CCCS(=O)(O)=[OH+])CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)OP(=O)(O)O)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)O)CCC4(C)C3CCC12C,CI,0
CC12CCC(OS(=O)(=O)O)CC1=CCC1C2CCC2(C)C(C(=O)O)CCC12.[NaH],CI,0
CCC1(OS(=O)(=O)O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(O)(=[OH+])OCC[N+](C)(C)C)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)OCCN(C)C)CCC4(C)C3CCC12C,CI,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C(COS(=O)(=O)O)CCC12.[NaH],CI,0
Cn1[nH]c(=O)ccc1=O,CI,0
O=c1ccc(=O)n(CO)[nH]1,CI,0
CCCCn1[nH]c(=O)ccc1=O,CI,0
O=c1ccc(=O)n(CN(CCCl)CCCl)[nH]1,CI,0
CCOC(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)=NNC(=O)C(=O)NN,CI,0
CC(CCn1[nH]c(=O)ccc1=O)=NNC(=O)C(=O)NN,CI,0
O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NO,CI,0
N=C(N)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
CC(C)(C)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
CC(CCn1[nH]c(=O)ccc1=O)=NNC(=N)N,CI,0
CC(CCn1[nH]c(=O)ccc1=O)=NO.Cl,CI,0
CC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
N#CCCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
NC(=O)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
CCOC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
CC(CCn1[nH]c(=O)ccc1=O)=NNC(=O)C(N)=O,CI,0
COC(=O)C(=O)CC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0
O=CCCn1[nH]c(=O)ccc1=O,CI,0
Oc1nnc(O)c2[nH]cnc12,CI,0
Sc1nnc(S)c2[nH]cnc12,CI,0
Nc1nnc(N)c2[nH]cnc12,CI,0
CSc1nnc(SC)c2[nH]cnc12,CI,0
CSc1nnc(N(C(C)C)C(C)C)c2nc[nH]c12,CI,0
CSc1nnc(O)c2[nH]cnc12,CI,0
OCCNc1nnc(NCCO)c2[nH]cnc12,CI,0
C=CCSc1nnc(S)c2[nH]cnc12,CI,0
O=C(O)CSc1nnc(S)c2[nH]cnc12,CI,0
Nc1nncc2[nH]cnc12,CI,0
CNc1nncc2[nH]cnc12,CI,0
CN(C)c1nncc2[nH]cnc12,CI,0
CN(C)C=Nc1nncc2[nH]cnc12,CI,0
NNc1nncc2[nH]cnc12,CI,0
CSc1nncc2[nH]cnc12,CI,0
Cc1nc2c(O)nncc2[nH]1,CI,0
Cc1nc2c(S)nncc2[nH]1,CI,0
CSc1nncc2[nH]c(C)nc12,CI,0
CC(=O)N(CN1C(=O)CCC1C(=O)O)c1ccccc1,CI,0
COc1ccccc1N(CN1C(=O)CCC1C(=O)O)C(C)=O,CI,0
COc1cccc(N(CN2C(=O)CCC2C(=O)O)C(C)=O)c1,CI,0
COc1ccc(N(CN2C(=O)CCC2C(=O)O)C(C)=O)cc1,CI,0
CC(=O)N(CN1C(=O)CCC1C(=O)O)c1ccc(C)cc1,CI,0
CC(=O)N(CN1C(=O)CCC1C(=O)O)c1cccc(O)c1,CI,0
CC(=O)N(CN1C(=O)CCC1C(=O)O)c1ccccc1Cl,CI,0
COc1ccc(OC)c(N(CN2C(=O)CCC2C(=O)O)C(C)=O)c1,CI,0
COC(=O)C1CCC(=O)N1CN(C(C)=O)c1ccccc1,CI,0
COC(=O)C1CCC(=O)N1CN(C(C)=O)c1cc(OC)ccc1OC,CI,0
COC(=O)C1CCC(=O)N1CN(C(C)=O)c1cccc(O)c1,CI,0
COC(=O)C1CCC(=O)N1CN(C(C)=O)c1ccccc1Cl,CI,0
CCOCCOC(=O)C1CCC(=O)N1CN(C(C)=O)c1cc(OC)ccc1OC,CI,0
CNC(=O)C1CCC(=O)N1CN(C(C)=O)c1ccccc1,CI,0
COc1ccc(N(CN2C(=O)CCC2OC)C(C)=O)cc1,CI,0
COc1cccc(N(CN2C(=O)CCC2OC)C(C)=O)c1,CI,0
COC1CCC(=O)N1CN(C(C)=O)c1ccc(C)cc1,CI,0
Cc1nc(C)c(N2CCNCC2)c(O)n1,CI,0
Cc1nc(C)c(N2CCN(C#N)CC2)c(O)n1,CI,0
Cc1nc(C)c(N2CCN(C(=O)O)CC2)c(O)n1,CI,0
CCOC(=O)N1CCN(c2c(C)nc(C)nc2O)CC1,CI,0
Cc1nc(C)c(N2CCN(CN)CC2)c(O)n1,CI,0
Cc1nc(C)c(N2CCN(S(N)(=O)=O)CC2)c(O)n1,CI,0
Cc1nc(C)c(N2CCN([N+](=O)[O-])CC2)c(O)n1,CI,0
CCOC(=O)CCC(NC(=O)N1CCN(c2c(C)nc(C)nc2O)CC1)C(=O)OCC,CI,0
Cc1nc(C)c(N2CCN(C(=O)NC(CCC(=O)O)C(=O)O)CC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCNCC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCN(C#N)CC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCN(C(=O)O)CC2)c(O)n1,CI,0
CCOC(=O)N1CCN(c2c(N)nc(C)nc2O)CC1,CI,0
Cc1nc(N)c(N2CCN(CN)CC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCN(S(N)(=O)=O)CC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCN([N+](=O)[O-])CC2)c(O)n1,CI,0
Cc1nc(N)nc(N)c1N1CCNCC1,CI,0
Cc1ccc(N=NC(=O)NNc2ccc(C)cc2Br)c(Br)c1,CI,0
O=C(N=Nc1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1,CI,0
CCc1ccccc1N=NC(=O)NNc1ccccc1CC,CI,0
Cc1cc([N+](=O)[O-])ccc1N=NC(=O)NNc1ccc([N+](=O)[O-])cc1C,CI,0
Cc1ccc(N=NC(=O)NNc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-],CI,0
O=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1c(Cl)cccc1N=NC(=O)NNc1cccc(Cl)c1C,CI,0
O=C(N=Nc1ccccc1Cl)NNc1ccccc1Cl,CI,0
Cc1cc(Cl)ccc1N=NC(=O)NNc1ccc(Cl)cc1C,CI,0
O=C(N=Nc1ccc(Cl)cc1Cl)NNc1ccc(Cl)cc1Cl,CI,0
O=C(N=Nc1ccccc1Br)NNc1ccccc1Br,CI,0
O=C(N=Nc1cccc(Cl)c1)NNc1cccc(Cl)c1,CI,0
Cc1cccc(N=NC(=O)NNc2cccc(C)c2C)c1C,CI,0
Cc1ccc([N+](=O)[O-])cc1N=NC(=O)NNc1cc([N+](=O)[O-])ccc1C,CI,0
O=C(N=Nc1cc(Cl)ccc1Cl)NNc1cc(Cl)ccc1Cl,CI,0
Cc1ccc(Cl)cc1N=NC(=O)NNc1cc(Cl)ccc1C,CI,0
O=C(N=Nc1ccc(Br)cc1)NNc1ccc(Br)cc1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1C)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COc1ccc(NC(=O)C(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3nc2O)c([N+](=O)[O-])c1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(Br)cc1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccccc1[N+](=O)[O-],CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=NN)C(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
CCOC(=O)C(=Cc1ccc(C#N)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(OC)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccccc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(C)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(F)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(Cl)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(N(C)C)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc(F)c1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc(Cl)c1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc(C#N)c1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(C(F)(F)F)cc1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc(C(F)(F)F)c1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1cccc(OC)c1)[Se]c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(Br)cc1)[Se]c1ccccc1,CI,0
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,CI,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl,CI,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1Br,CI,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1,CI,0
COc1ccccc1-n1c(C)nc2ccccc2c1=O,CI,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1F,CI,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1I,CI,0
COc1ccccc1-n1c(NN)nc2ccc(Br)cc2c1=O,CI,0
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N)cc1,CI,0
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N,CI,0
NCCSc1nc2ccccc2c(=O)n1-c1ccccc1,CI,0
CC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O,CI,0
CC(=O)C(=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1)C(C)=O,CI,0
CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O,CI,0
CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1)C(C)=O,CI,0
CCOC(=O)C(C#N)=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1,CI,0
CCOC(=O)C(C#N)=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1,CI,0
CCOc1ccc(NC(=O)C(=Cc2ccc(C)cc2)C(C)=O)cc1,CI,0
CCOc1ccc(NC(=O)C(=Cc2ccccc2)C(C)=O)cc1,CI,0
COc1ccc(NC(=O)C(=Cc2ccccc2)C(C)=O)cc1,CI,0
Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2)c(C)c1,CI,0
CC(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
COc1ccc(C=C(C(C)=O)C(=O)Nc2ccccc2)cc1,CI,0
COc1ccccc1NC(=O)C(=Cc1ccccc1)C(C)=O,CI,0
CC(=O)C(=Cc1ccccc1O)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1ccccc1,CI,0
Cc1cccc(NC(=O)C=Cc2ccc(N(CCC#N)CCC#N)cc2C)c1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1ccccc1Cl,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1cccc(Cl)c1,CI,0
NNC(=O)CC(=O)N(C(=O)C=Cc1ccccc1)c1ccc(Cl)cc1,CI,0
COc1ccc(NC(=O)C(C#N)=Cc2ccc(O)c(O)c2)cc1O,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(C(=O)O)cc1,CI,0
O=C(C=Cc1ccccc1)Nc1ccccc1SCCCCl,CI,0
Cc1c(C)[n+]([O-])c2cc(C=[N+]([O-])CCO)ccc2[n+]1[O-],CI,0
Cc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
[O-][n+]1c(O)c(S)[n+]([O-])c2ccccc21,CI,0
Cc1c(C(=O)NCCO)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(N)=S)c(C)[n+]2[O-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(C)=O)c(C)[n+]2[O-],CI,0
Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
O=C(NCCO)c1c(CO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
COCc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
CCOCc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
CC(C)(C)NCc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
CCN(CC)Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
O=C(NCCO)c1c(CN(CCO)CCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1c(C(=O)N(CCO)CCO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(=O)CC#N)c[n+]2[O-],CI,0
Cc1c(C(=O)CC(=NNC(=O)CC#N)C(N)=O)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
CN(C)CCCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-],CI,0
O=C1NC(O)c2ccccc2O1,CI,0
O=C1NC(O)c2cc(CO)ccc2O1,CI,0
CC(=O)OCc1ccc2c(c1)C(O)NC(=O)O2,CI,0
O=C1NC(O)c2cc(Cl)ccc2O1,CI,0
O=C1NC(O)c2cc(Cl)cc(Cl)c2O1,CI,0
O=C1NC(O)c2cc(O)ccc2O1,CI,0
COc1ccc2c(c1)C(O)NC(=O)O2,CI,0
O=Cc1ccc2c(c1)C(O)NC(=O)O2,CI,0
CC(C)OC1NC(=O)Oc2ccccc21,CI,0
O=C1NC(O)c2cccc(Cl)c2O1,CI,0
COc1cccc2c1OC(=O)NC2O,CI,0
COCc1ccc2c(c1)C(O)NC(=O)O2,CI,0
O=C1NC(O)c2cccc([N+](=O)[O-])c2O1,CI,0
CCOC1NC(=O)Oc2ccccc21,CI,0
COC1NC(=O)Oc2c(F)cccc21,CI,0
COC(=O)c1ccc2c(c1)C(O)NC(=O)O2,CI,0
O=C1NC(O)c2c(F)cccc2O1,CI,0
Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1Cl,CI,0
Cc1cc2c(c3ncccc13)OCN(Cc1ccc(Cl)cc1)C2,CI,0
Cc1cc2c(c3ncccc13)OCN(Cc1ccc(Cl)c(Cl)c1)C2,CI,0
COc1ccc(CN2COc3c(cc(C)c4cccnc34)C2)cc1,CI,0
Clc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1,CI,0
Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1,CI,0
COc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1,CI,0
Clc1ccc(CN2COc3c(ccc4cccnc34)C2)c(Cl)c1,CI,0
Fc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1,CI,0
Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1Cl,CI,0
Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1,CI,0
Clc1ccccc1CN1COc2c(ccc3cccnc23)C1,CI,0
Clc1cc2c(c3ncccc13)OCN(Cc1ccccc1)C2,CI,0
COc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1,CI,0
Fc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1,CI,0
Fc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1,CI,0
Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c(Cl)c1,CI,0
CC1(Cl)C2c3ccccc3C(c3ccccc32)C1(C)Cl,CI,0
CC1(Br)C2c3ccccc3C(c3ccccc32)C1(C)C(Cl)(Cl)Cl,CI,0
CC(=O)OC1(C)C2c3ccccc3C(c3ccccc32)C1(C)C,CI,0
NNC(=O)C1CC2c3ccccc3C1c1ccccc12,CI,0
NNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)O,CI,0
COC(=O)C1CC2c3ccccc3C1c1ccccc12,CI,0
NNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NN,CI,0
CCOC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)OCC,CI,0
c1ccc2c(c1)C1CCC2c2ccccc21,CI,0
NC12CCC(N)(c3ccccc31)c1ccccc12,CI,0
CC12CCC(C)(c3cc(O)c(O)cc31)c1cc(O)c(O)cc12,CI,0
CC(=O)Oc1cc2c(cc1OC(C)=O)C1(C)CCC2(C)c2cc(OC(C)=O)c(OC(C)=O)cc21,CI,0
O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)O,CI,0
CCCCCCCCCCCCCCCCCCSCC12c3ccccc3C(c3ccccc31)C(COS(=O)(=O)O)C2COS(=O)(=O)O.[NaH],CI,0
CCCCCCCCCCCCSCC12c3ccccc3C(c3ccccc31)C(C(=O)O)C2C(=O)O,CI,0
CSC(=S)CC(O)C1CC2c3ccccc3C1c1ccccc12,CI,0
CS(=O)(=O)NC12CCC(c3ccccc31)c1ccccc12,CI,0
CC1(c2cccc3ccccc23)OC(=O)c2ccccc21,CI,0
O=C1OC(c2cccc3ccccc23)c2ccccc21,CM,1
O=C1OC(c2cccc3c(F)cccc23)c2ccccc21,CI,0
COc1ccc(C2OC(=O)c3ccccc32)c2ccccc12,CI,0
COc1ccc(C2(C)OC(=O)c3ccccc32)c2ccccc12,CI,0
Cc1cccc2c1C(=O)OC2(C)c1cccc2ccccc12,CI,0
CCOC(=O)CC1(c2cccc3ccccc23)OC(=O)c2ccccc21,CI,0
COc1cccc2c1C(=O)OC2c1cccc2ccccc12,CI,0
Cc1ccc2c(c1)C(c1cccc3ccccc13)OC2=O,CI,0
COc1cccc2c1C(c1cccc3ccccc13)OC2=O,CI,0
CC1(c2cccc3ccc(F)cc23)OC(=O)c2ccccc21,CI,0
COc1ccc2c(C3(C)OC(=O)c4ccccc43)cccc2c1,CI,0
CC1(c2cccc3ccccc23)OC(=O)c2cccc(F)c21,CI,0
O=C1OC(c2cccc3ccc(Br)cc23)c2ccccc21,CI,0
COc1ccc2ccccc2c1C1OC(=O)c2ccccc21,CI,0
O=C1OC(c2ccc(Cl)c3ccccc23)c2ccccc21,CI,0
CSc1ccc(C2OC(=O)c3ccccc32)c2ccccc12,CI,0
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(C(=O)OC)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
CC1CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C,CI,0
CC(=O)OC1CC2C(C)(CCC3C2(C)CCC2(C)C4CC(C)(C)CCC4(C)CCC32C)C1C,CI,0
C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(C)CCC3(C)C(C)(CCC4C5(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C5CCC43C)C12,CM,1
C=C(C)C1CCC2(COC(=O)CC(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
CC(CC(=O)O)CC(=O)OCC12CCC(C(C)C)C1C1CCC3C4(C)CCC(OC(=O)CC(C)CC(=O)O)C(C)(C)C4CCC3(C)C1(C)CC2,CI,0
C=C(C)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
CC(C)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(COC(=O)CC(C)(CC)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(CC)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
CCC(C)(CC(=O)O)CC(=O)OCC12CCC(C(C)C)C1C1CCC3C4(C)CCC(OC(=O)CC(C)(CC)CC(=O)O)C(C)(C)C4CCC3(C)C1(C)CC2,CI,0
C=C(COC(=O)CC(C)(C)CC(=O)O)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(CNC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0
c1cn[nH]c1,CI,0
CN(C)N=Nc1c[nH]nc1C(N)=O,CI,0
Cc1nn(C)c(N)c1N=O,CI,0
C[Ga](C)n1cccn1,CI,0
CCn1ncc(N=O)c1N.Cl,CI,0
CCn1ncc(N=O)c1N,CI,0
N#Cc1nn(C(N)=O)c(N)c1C#N,CI,0
CC(C)NC(=O)OCCS(=O)c1c(Cl)c(Cl)nn1C,CI,0
COC(=O)c1c(NC(=O)C(C)C)n[nH]c1NC(=O)C(C)C,CI,0
CN(C)CCNC(=O)c1cnn(C)c1[N+](=O)[O-].Cl,CI,0
CCCCCCCCCCCCn1nc(C)c(C(=S)SCCCCCCCC)c1O,CI,0
CCCCCCCCCCCCSC(=S)c1c(C)nn(CCCCCCCCCCCC)c1O,CI,0
O=C(Cn1cc(I)c(C(=O)NCC(O)CO)n1)NCC(O)CO,CI,0
Cc1nn(C(=N)N)c(O)c1CCO,CI,0
CCC(=O)ONC(=O)Cn1ccc([N+](=O)[O-])n1,CI,0
Cc1n[nH]c(C)c1N=O,CI,0
CC(C)(C)c1n[nH]c(C(C)(C)C)c1N=O,CI,0
O=C(O)CC1Sc2ccccc2NC1=O,CI,0
CN1C(=O)C(C)(O)Sc2ccccc21,CI,0
CC(=NOCC(O)CNC(C)C)c1ccc2c(c1)NC(=O)CS2,CI,0
O=C1CSc2cc([N+](=O)[O-])ccc2N1,CI,0
COc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(C)S2,CI,0
COc1cc(N)c2c(c1)SC(C)C(=O)N2,CI,0
COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CS2,CI,0
COc1cc(N)c2c(c1)SCC(=O)N2,CI,0
COc1cc(NC=O)c2c(c1)SCC(=O)N2,CI,0
COc1cc(NC(C)=O)c2c(c1)SCC(=O)N2,CI,0
COc1cc(NC=O)c2c(c1)SC(C)C(=O)N2,CM,1
CCC1Sc2cc(OC)cc([N+](=O)[O-])c2NC1=O,CI,0
CCC1Sc2cc(OC)cc(N)c2NC1=O,CI,0
CCC1Sc2cc(OC)cc(NC=O)c2NC1=O,CI,0
CCCCC1Sc2cc(OC)cc([N+](=O)[O-])c2NC1=O,CI,0
CCCCC1Sc2cc(OC)cc(N)c2NC1=O,CI,0
CC(=O)OCCCCN1C(=O)CSc2ccccc21,CI,0
CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCC)c4c3O)c(O)c12,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c1O,CI,0
CCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCC)c4c3O)c(O)c12,CI,0
CCCCCCCCCCN=Cc1c(O)c(O)c(CCC)c2cc(C)c(-c3c(C)cc4c(CCC)c(O)c(O)c(C=NCCCCCCCCCC)c4c3O)c(O)c12,CI,0
CCCCCCCCC=CCCCCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCCCCC=CCCCCCCCC)c4c3O)c(O)c12,CI,0
CCCCC(CC)CN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCC(CC)CCCC)c4c3O)c(O)c12,CI,0
CCN(CC)CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCN(CC)CC)c4c3O)c(O)c12,CI,0
COc1cc2c(OC)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(C)C)c1OC,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=NO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NO)c2c1O,CI,0
CC(=O)Oc1c(OC(C)=O)c(C=O)c2c(OC(C)=O)c(-c3c(C)cc4c(C(C)C)c(OC(C)=O)c(OC(C)=O)c(C=O)c4c3OC(C)=O)c(C)cc2c1C(C)C,CI,0
COc1c(OC)c(C=O)c2c(OC)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)c(C=O)c4c3OC)c(C)cc2c1C(C)C,CI,0
CCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCC)c4c3O)c(O)c12,CI,0
CC(=O)Oc1cc(C)cc2ccc(-c3ccc4cc(C)cc(OC(C)=O)c4c3OC(C)=O)c(OC(C)=O)c12,CI,0
CCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCC)c4c3O)c(O)c12,CI,0
CCc1c(O)c(O)c(C(C)=O)c2c(O)c(-c3c(C)cc4c(CC)c(O)c(O)c(C(C)=O)c4c3O)c(C)cc12,CI,0
COc1c(O)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(OC)c(O)c(C=O)c4c3O)c(C)cc2c1C(C)C,CI,0
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,CI,0
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CI,0
CC12CC(Br)C(=O)C=C1CCC1C2CCC2(C)C(C(=O)CBr)CCC12,CI,0
CCC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(O)CCC3C12,CI,0
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CC(SC(C)=O)C4(C)C3CCC21C,CI,0
CC1CC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC2(C)C1(C)O,CI,0
CC1CC2(O)C3CC(F)C4=CC(=O)CCC4(C)C3C(O)CC2(C)C1(O)C(=O)CO,CI,0
CCC(=O)OC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(OC(=O)CC)CCC3C12,CI,0
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(Cl)C(Cl)CC21C,CI,0
CC(=O)OC1CCC2C3C(C)CC4=CC(=O)CCC4C3CCC12C,CI,0
CC(C)OP(=O)(CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)OC(C)C,CI,0
CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,CI,0
CCC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC,CI,0
CC12CC(C=O)C(=O)C(O)=C1CCC1C2CCC2(C)C1CCC2(C)O,CI,0
CC12CC(C#N)C(=O)C(O)=C1CCC1C2CCC2(C)C(O)CCC12,CI,0
CC(=O)OC1=C2CCC3C(CCC4(C)C(OC(C)=O)CCC34)C2(C)CC(C#N)C1=O,CI,0
CC(=O)OC1CCC2C3CCC4=C(O)C(=O)C(C#N)CC4(C)C3CCC12C,CI,0
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1,CI,0
COC(=O)C=CC(=NNc1ccccc1)c1ccccc1,CI,0
COc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CI,0
Br.CC(CN(C)C)C(=NNc1ccccc1)c1ccccc1,CI,0
CN(C)CC(C)(C)C(=NNc1ccccc1)c1ccccc1.Cl,CI,0
CN(C)CCC(=NNc1ccc(Cl)cc1)c1ccccc1.Cl,CI,0
CN(C)CCC(=NNc1ccc(Cl)c(Cl)c1)c1ccccc1.Cl,CI,0
CN(C)CCC(=NNc1ccc(Cl)cc1Cl)c1ccccc1.Cl,CI,0
CN(C)CCC(=NNc1c(Cl)cccc1Cl)c1ccccc1.Cl,CI,0
COc1ccc(NN=C(CCN(C)C)c2ccccc2)cc1.Cl,CI,0
CN(C)CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1.Cl,CI,0
CN(C)CCC(=NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.Cl,CI,0
O=S(=O)(O)c1ccc(NN=Cc2ccccc2)cc1.[NaH],CI,0
COc1ccc(C=NNc2ccc(S(=O)(=O)O)cc2)cc1.[NaH],CI,0
O=[N+]([O-])c1cccc(C=NNc2ccc(S(=O)(=O)O)cc2)c1.[NaH],CI,0
CC(=O)N(N=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(NN=Cc2ccc(OCCCCCCCCCCCO)cc2)c([N+](=O)[O-])c1,CI,0
O=C1Nc2cc([N+](=O)[O-])ccc2C(=O)N2CCCC12,CI,0
COCN1C(=O)C2CCCN2C(=O)c2ccc([N+](=O)[O-])cc21,CI,0
Nc1ccc2c(c1)NC(=O)C1CCCN1C2=O,CI,0
COCN1C(=O)C2CCCN2C(=O)c2ccc(N)cc21,CI,0
O=C1C2CC(O)CN2C(=O)c2ccccc2N1CCCO,CI,0
O=C1Nc2cc(Cl)ccc2C(=O)N2CCCC12,CI,0
O=C1Nc2ccc(Cl)cc2C(=O)N2CCCC12,CI,0
Nc1ccc2c(c1)C(=O)N1CCCC1C(=O)N2,CI,0
COCOC1CC2C(=O)Nc3ccccc3C(=O)N2C1,CI,0
COCN1C(=O)C2CCCN2C(=O)c2cc([N+](=O)[O-])ccc21,CI,0
COCN1C(=O)C2CCCN2C(=O)c2cc(N)ccc21,CI,0
COCN1C(=O)C2CCCN2C(=O)c2ccc(Cl)cc21,CI,0
COCN1C(=O)C2CCCN2C(=O)c2cc(Cl)ccc21,CI,0
COCOC1CC2C(=O)N(COC)c3ccccc3C(=O)N2C1,CI,0
COCN1C(=O)C2CC(O)CN2C(=O)c2ccccc21,CI,0
COCN1C(=O)C2CC(OCC=CCBr)CN2C(=O)c2ccccc21,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c1O,CI,0
COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc1,CI,0
COc1ccccc1C1c2cc3c(cc2OC(N2CCOCC2)C1C)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c1OC,CI,0
COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)ccc1O,CI,0
COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc1OC,CI,0
COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1OC,CI,0
CC1C(c2ccc(Cl)cc2)c2cc3c(cc2OC1N1CCOCC1)OCO3,CI,0
CC1C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2OC1N1CCOCC1)OCO3,CI,0
COc1cc(OC)c(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1,CI,0
CC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCOCC1)OCO3,CI,0
CCC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCOCC1)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1OC(C)=O,CI,0
Cc1cc(C)c(NS(=O)c2cccc(Cl)c2)c(C)c1,CI,0
Cc1cc(C)c(NS(=O)c2cccc(C(F)(F)F)c2)c(C)c1,CI,0
Cc1cc(C)c(NS(=O)c2cccc([N+](=O)[O-])c2)c(C)c1,CI,0
Cc1cc(C)c(NS(=O)c2ccc(Cl)cc2)c(C)c1,CI,0
CNc1ccc(S(=O)Nc2ccc(OC)cc2)cc1,CI,0
O=S(Nc1ccccc1)c1ccc(Cl)cc1,CI,0
COc1ccc(NS(=O)c2ccc(OC)cc2)cc1,CI,0
CNc1ccc(S(=O)Nc2ccccc2)cc1,CI,0
COc1ccc(NS(=O)c2c(C)cc(C)cc2C)cc1,CI,0
COc1ccccc1S(=O)Nc1ccccc1,CI,0
O=S(Nc1ccccc1)c1ccc(Cl)c(Cl)c1,CI,0
COc1ccc(NS(=O)c2ccc(Cl)cc2)cc1,CI,0
CN(C)c1ccc(S(=O)Nc2ccccc2)cc1,CI,0
COc1ccc(NS(=O)c2ccccc2OC)cc1,CI,0
COc1ccc(NS(=O)c2cccc(C)c2)cc1,CI,0
O=S(Nc1ccccc1)c1cccc(Cl)c1,CI,0
O=C1C(Cl)C(c2ccccc2)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2ccccc2O)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2cccc(O)c2)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2ccc(O)cc2)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O,CI,0
COc1ccccc1C1C(Cl)C(=O)N1n1cnc2ccccc2c1=O,CI,0
COc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1,CI,0
O=C1C(Cl)C(c2ccccc2Cl)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O,CI,0
COc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC,CI,0
COc1cc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O,CI,0
O=C1C(Cl)C(c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O,CI,0
O=C1C(Cl)C(c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O,CI,0
Cc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1,CI,0
COc1cc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC,CI,0
N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1,CI,0
COC(=O)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1,CI,0
O=[N+]([O-])c1ccc(C(O)C(=NNO)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
ON=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl,CI,0
NNC(=S)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1cccc([N+](=O)[O-])c1,CI,0
COC(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(OC)c(OC)c1,CI,0
COc1ccc(C(O)C(=NNC(N)=S)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1OC,CI,0
NC(=S)N=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1Cl,CI,0
O=[N+]([O-])c1cccc(C(O)C(=NO)c2nc3ccc(Cl)cc3nc2O)c1,CI,0
NNC(=S)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl,CI,0
O=[N+]([O-])c1ccc(C(O)C(=NO)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)c(Cl)c1,CI,0
Cc1ccc(C(O)C(=NN)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
CC(=O)Nc1ccc(C(O)C(=NN)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(Cl)c(Cl)c1,CI,0
COc1ccc(C(O)C(=NN)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccccc2C#N)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)(C)C)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2cccc(C(C)=O)c2)s1,CI,0
COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2sc(NNC(C)=O)nc2C)c1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2)s1,CI,0
COc1ccc(NC(=O)C(=O)NNC(=O)c2sc(NNC(C)=O)nc2C)c([N+](=O)[O-])c1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)C)s1,CI,0
COc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1,CI,0
Cc1ccccc1N1C(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2)N=C1c1cc([N+](=O)[O-])ccc1Cl,CI,0
Cc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1,CI,0
Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
COc1ccccc1N1C(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2C)N=C1c1cc([N+](=O)[O-])ccc1Cl,CI,0
COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(Cl)c2)C1=O,CI,0
CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1ccc(N(CCC#N)CCC#N)cc1C,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1,CI,0
COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)cc1,CI,0
COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(OC)c1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1,CI,0
Cc1nc(Nc2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0
CCc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2)nc1C,CI,0
CCOc1ccccc1Nc1nc(C)c(C(=O)CC(=O)C(=O)Nc2ccccc2)s1,CI,0
Cc1cccc(C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2c(C)cccc2C)nc1C,CI,0
Cc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3c(C)cccc3C(C)(C)C)s2)cc1,CI,0
Cc1cccc(C)c1Nc1nc(C)c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)s1,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2c(CC)cccc2C(C)(C)C)nc1C,CI,0
Cc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2[N+](=O)[O-])nc1C,CI,0
Cc1ccc(NC(=O)C(=O)CC(=O)c2sc(Nc3c(C)cccc3C)nc2C)cc1C,CI,0
CCc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2Cl)nc1C,CI,0
Cc1nc(Nc2ccccc2[N+](=O)[O-])sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0
Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(=O)Nc1c(Cl)cccc1Cl,CI,0
Cc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2Cl)nc1C,CI,0
CCOc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)cc1,CI,0
CCOc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3ccc(C(C)C)cc3C(C)C)s2)cc1,CI,0
Cc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3ccc(Cl)cc3)s2)cc1,CI,0
Cc1coc(C)c1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)C)c1,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(C)C)c1,CA,1
CSCCOC(=O)c1cc(NC(=S)c2ccoc2C)ccc1Cl,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(F)(F)F)c1,CA,1
CON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC(C)C)c1,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)(C)C)c1,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(COC(C)(C)C)c1,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1,CA,1
C=CCON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(OCC(=O)OC(C)(C)C)c1,CA,1
COc1ccc(NC(=S)c2ccoc2C)cc1CC(=O)OC(C)C,CA,1
C=CCOc1cc(NC(=S)c2ccoc2C)ccc1OC,CA,1
CC=CCOc1cc(NC(=S)c2ccoc2C)ccc1OC,CA,1
CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl,CA,1
CCC1C(C#N)=C(O)NC(O)=C1C#N,CI,0
CC1=C(C(=O)NCCCN(CCO)CCO)CC(C(=O)NCCCN(CCO)CCO)=C(C)N1,CI,0
CC1=C(C(=O)N(C(C)C)C(C)C)CC(C(=O)N(C(C)C)C(C)C)=C(C)N1,CI,0
CCCCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCCCC)C1,CI,0
CC1=C(C(=O)NNC(=O)CC#N)CC(C(=O)NNC(=O)CC#N)=C(C)N1,CI,0
CC1=C(C(=O)NNC(=O)C[N+](C)(C)C)CC(C(=O)NNC(=O)C[N+](C)(C)C)=C(C)N1.[ClH2+],CI,0
CCCCCCN(CCCCCC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CCCCCC)CCCCCC)C1,CI,0
CCCCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CCCC)C1,CI,0
CCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCC)C1,CI,0
CCCCN(C)C(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCC)C1,CI,0
CCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCC)C1,CI,0
CC1=C(C(=O)NCC(C)O)CC(C(=O)NCC(C)O)=C(C)N1,CI,0
CC1=C(C(=O)NNC(=O)C(N)=O)CC(C(=O)NNC(=O)C(N)=O)=C(C)N1,CI,0
COCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCOC)C1,CI,0
CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)C1,CI,0
CCOC(=O)C(=O)N1C(C)=C(C(=O)OCC)CC(C(=O)OCC)=C1C,CI,0
N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1)c1ccc(Cl)cc1,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccc(Cl)cc3)CC2c2ccccc2)c1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccc(Cl)cc3)CC2c2ccccc2)cc1,CI,0
Cc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccc(Cl)cc3)CC2c2ccccc2)c1,CI,0
N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(c2ccccc2)C1)c1ccc(Cl)cc1,CI,0
N#CCCN(C1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(c2ccccc2)C1)c1ccccc1Cl,CI,0
N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2)C(c2ccccc2)C1)c1ccccc1Cl,CI,0
N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(c2ccccc2)C1)c1ccccc1Cl,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3Cl)CC2c2ccccc2)cc1,CI,0
Cc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3Cl)CC2c2ccccc2)c1,CI,0
Cc1ccccc1NC(=O)CC(=O)N1N=C(N(CCC#N)c2ccccc2Cl)CC1c1ccccc1,CI,0
Cc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3cccc(C)c3)CC2c2ccccc2)cc1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3cccc(C)c3)CC2c2ccccc2)cc1,CI,0
Cc1ccccc1N(CCC#N)C1=NN(C(=O)CC(=O)Nc2ccccc2)C(c2ccccc2)C1,CI,0
Cc1ccccc1N(CCC#N)C1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3C)CC2c2ccccc2)c1,CI,0
O=C(CC1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CCc1cccc(C(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
Cc1c(Cl)cccc1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1,CI,0
O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1,CI,0
O=C(CC1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl,CI,0
COC(=O)C(=O)C(C(=O)Nc1cccc(C)c1C)C1Sc2ccccc2NC1=O,CI,0
O=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1[N+](=O)[O-],CI,0
O=C(CC1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1,CI,0
Cc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1C,CI,0
Cc1cccc(C(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
CCOc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1,CI,0
CCc1cccc(C)c1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
Cc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)c(C)c1,CI,0
CCOc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O,CI,0
Cc1cc2[nH]c3c(C#N)c(O)c(C)c(=O)n3c2cc1C,CI,0
CCOC(=O)c1cc(C(=O)O)c(=O)n2c1[nH]c1ccccc12,CI,0
N#Cc1c(CC(=O)O)cc(=O)n2c1[nH]c1ccccc12,CI,0
COC(=O)Cc1cc(=O)n2c([nH]c3ccccc32)c1C#N,CI,0
COC(=O)Cc1cc(=O)n2c3ccccc3n(C)c2c1C#N,CI,0
Cc1c(CCO)c(=O)n2c([nH]c3ccccc32)c1C#N,CI,0
Cc1c(CCCl)c(=O)n2c([nH]c3ccccc32)c1C#N,CI,0
COCCc1c(C)c(C#N)c2n(C)c3ccccc3n2c1=O,CI,0
N#Cc1c(O)cc(=O)n2c1[nH]c1ccccc12,CI,0
COc1cc(=O)n2c3ccccc3n(C)c2c1C#N,CI,0
COC(=O)c1c(O)c(C#N)c2[nH]c3ccccc3n2c1=O,CI,0
N#Cc1c(Cl)c(C=O)c(=O)n2c1[nH]c1ccccc12,CI,0
N#Cc1c(O)c(C=O)c(=O)n2c1[nH]c1ccccc12,CI,0
CCN(CC)C(=O)c1cc([N+](=O)[O-])c(=O)n2c1[nH]c1ccccc12,CI,0
CC(=O)OCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,CI,0
CCOC(=O)c1c(C)cc(=O)n2c1[nH]c1ccccc12,CI,0
CC1S(=O)(=O)OCCOS1(=O)=O,CI,0
CC1COS(=O)(=O)CS(=O)(=O)O1,CI,0
CCC1COS(=O)(=O)CS(=O)(=O)O1,CI,0
CC1OS(=O)(=O)CS(=O)(=O)OC1C,CI,0
CCC1S(=O)(=O)OCCOS1(=O)=O,CI,0
CC1(C)S(=O)(=O)OCCOS1(=O)=O,CI,0
CS(=O)(=O)C1S(=O)(=O)OCCOS1(=O)=O,CI,0
CCOC(=O)C1S(=O)(=O)OCCOS1(=O)=O,CI,0
O=S1(=O)OCCOS(=O)(=O)C1(Br)Br,CI,0
O=S1(=O)OCCOS(=O)(=O)C1Br,CI,0
O=S1(=O)OCCOS(=O)(=O)C1Cl,CI,0
O=S1(=O)OCCOS(=O)(=O)C1(Cl)Cl,CI,0
O=S1(=O)OCCOS(=O)(=O)C1(I)I,CI,0
O=S1(=O)OCCOS(=O)(=O)C1I,CI,0
N#CCCC1(CCC#N)S(=O)(=O)OCCOS1(=O)=O,CI,0
C[Si](C)(OCCS(=O)(=O)O)C1S(=O)(=O)OCCOS1(=O)=O.[NaH],CI,0
O=C1C(=Cc2ccc(O)cc2)Oc2cc(O)ccc21,CI,0
O=C1C(=Cc2ccccc2)Oc2ccc(Cl)cc21,CI,0
CN(C)c1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc(O)cc2)Oc2ccccc21,CI,0
O=C1C(=Cc2ccc(Cl)cc2)Oc2ccccc21,CI,0
COC(=O)c1ccc(C=C2Oc3ccccc3C2=O)cc1,CI,0
CN(C)c1ccc(C=C2Oc3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccccc2)Oc2cc(O)ccc21,CI,0
O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(O)ccc21,CI,0
COC(=O)c1ccc(C=C2Oc3cc(O)ccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc21,CI,0
CN(C)c1ccc(C=C2Oc3cc(O)ccc3C2=O)cc1,CI,0
CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(O)cc1)C2=O,CI,0
COc1ccc(C=C2Oc3cc(OC(C)=O)ccc3C2=O)cc1,CI,0
CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O,CI,0
Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(Cl)cc1)O2,CI,0
CC(=NNC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccccn1,CI,0
CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1ccccn1,CI,0
Cc1cccc(C=NNC(=S)Nc2ccccc2)n1,CI,0
COc1ccccc1NC(=S)NN=C(C)c1ccccn1,CI,0
COc1ccccc1NC(=S)NN=Cc1ccccn1,CI,0
COc1ccc(NC(=S)NN=C(C)c2ccccn2)cc1,CI,0
COc1ccc(NC(=S)NN=Cc2ccccn2)cc1,CI,0
CC(=NNC(=S)Nc1ccccc1C)c1ccccn1,CI,0
CC(=NNC(=S)Nc1ccccc1Cl)c1ccccn1,CI,0
CC(=NNC(=S)Nc1ccc(C)cc1)c1ccccn1,CI,0
CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1,CI,0
CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1,CI,0
COc1ccccc1NC(=S)NN=Cc1cccc(C)n1,CI,0
COc1ccc(NC(=S)NN=Cc2cccc(C)n2)cc1,CI,0
Cc1cccc(C=NNC(=S)Nc2ccc(Cl)cc2)n1,CI,0
S=C(NN=Cc1ccccn1)Nc1ccc(Cl)cc1,CI,0
NC(=S)NN=Cc1cc(=O)c2cc(Cl)ccc2o1,CI,0
COc1ccc2c(=O)c(S)coc2c1,CI,0
CC(=O)Oc1ccc2c(=O)c(C(C)=O)coc2c1,CI,0
CCOC(=O)COc1cccc2occc(=O)c12,CI,0
CCCCCCCCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1,CI,0
CCCCCCCCCc1cc(=O)c2c(O)cccc2o1,CI,0
CCCCCCCCCCCc1cc(=O)c2c(O)cccc2o1,CI,0
CCCCCCCCCc1cc(=O)c2ccc(O)cc2o1,CI,0
Cc1oc2ccccc2c(=O)c1C,CI,0
Cc1cc(=O)c2ccccc2o1,CI,0
COc1ccc2oc(OC)c(CC=C(C)C)c(=O)c2c1C,CI,0
C=CC(C)(C)c1c(OC)oc2ccc(OC)c(C)c2c1=O,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1coc2cc(C)cc(C)c2c1=O,CI,0
CCOC(=O)C(C#N)=Cc1coc2cc(C)cc(C)c2c1=O,CI,0
Cc1oc2cc(O)cc(O)c2c(=O)c1C,CI,0
CCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1,CI,0
CN(C)CC(=O)C1C(=O)N(C)c2ccccc21,CI,0
CCOC(=O)CC1(CC(=O)OCC)C(=O)N(C)c2ccccc21,CI,0
CCC1C(=O)N(C)c2ccccc21,CI,0
CN1C(=O)Cc2ccccc21,CI,0
CCOC(=O)CN1C(=O)Cc2ccccc21,CI,0
CSC1(CC(=O)N(C)C)C(=O)Nc2ccccc21,CI,0
CN1C(=O)C(C)(O)c2ccccc21,CI,0
COc1ccc2c(c1)C(CCN)C(=O)N2.Cl,CI,0
CCOC(=O)C(=O)C1C(=O)Nc2ccccc21,CI,0
CC(=O)CC1(O)C(=O)Nc2ccccc21,CI,0
CC(CC1(O)C(=O)Nc2ccccc21)=NO,CI,0
CN1C(=O)C(CCO)(C(C)(C)C)c2ccccc21,CI,0
CN1C(=O)C(CC=O)(C(C)(C)C)c2ccccc21,CI,0
COC(CC1(C=CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC,CI,0
C=CC(C)(C)C1(CC(OC)OC)C(=O)N(C)c2ccccc21,CI,0
COc1cc([N+](=O)[O-])cc2c1NC(=O)C2(C)SC,CI,0
CCCCCCc1cc2c(O)c(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)c(=O)oc2cc1O,CI,0
CN(C)c1ccc(C(c2c(O)c3ccc(O)cc3oc2=O)c2c(O)c3ccc(O)cc3oc2=O)cc1,CI,0
COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1OC,CI,0
CC(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,CI,0
CN(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(OC)c1,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O,CI,0
COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1O,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O,CI,0
COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)ccc1O,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccccc1F)c1c(O)c2ccc(O)cc2oc1=O,CI,0
O=C(O)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,CI,0
Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N,CA,1
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12,CA,1
COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,CA,1
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O,CM,1
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O,CI,0
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1O,CI,0
Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,CA,1
Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)cc4)cc3)c(O)c2c1,CI,0
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cccc(S(=O)(=O)O)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1O,CI,0
Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(O)=[OH+])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(O)=[OH+])c(N)c2c1O.[GaH3],CA,1
COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.[NaH],CA,1
COc1cc(-c2ccc(N=Nc3cc4cc(S(=O)(=O)O)ccc4cc3O)c(OC)c2)ccc1N=Nc1cc2cc(S(=O)(=O)O)ccc2cc1O.[NaH],CA,1
COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3N)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1N.[NaH],CA,1
CCCc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(CCC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N.[NaH],CM,1
COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O.[NaH],CI,0
COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N.[NaH],CA,1
CCOC(=O)C(=O)C1CCCCC1=O,CI,0
O=C1C(O)C(O)C(O)C(O)C1O,CI,0
CC1(C)CC(C)(Br)C(Br)C(=O)C1C(O)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C1(N=O)CCCCC1=O,CI,0
C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=O.[I-],CI,0
CCOC(=O)C1(C)CCC(C(C(=O)O)C(=O)O)CC1=O,CI,0
CCOC=CC(C)C1(C(=O)OCC)CCCCC1=O,CI,0
CCOC(=O)CC(C)C1(C=O)CCCCC1=O,CI,0
CCOC(=O)CC(C)C1(C(=O)OCC)CCCCC1=O,CI,0
COC(=O)C1(C(C)CC(=O)O)CCCCC1=O,CI,0
CCOC(=O)CCC1(C(=O)OCC)CCCCC1=O,CI,0
COC(C)(C)C1(O)CCC(C)CC1=O,CI,0
O=C1CC(C(O)(C(F)(F)F)C(F)(F)Cl)CCC1C(O)(C(F)(F)F)C(F)(F)Cl,CI,0
O=C1CCCCC1C(O)(C(F)(F)F)C(F)(F)Cl,CI,0
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,CI,0
COC(=O)CC1(O)C(C=C(C)C)C(C(=O)OC)C(=O)C(C(=O)OC)C1C(=O)OC,CI,0
N#Cc1c(N)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0
Cc1ccc(NC(=O)c2c(N)c(C#N)c3n2CCC3)cc1,CI,0
COc1ccc(NC(=O)c2c(N)c(C#N)c3n2CCC3)cc1,CI,0
N#Cc1c(N)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n2c1CCC2,CI,0
N#Cc1c(N)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2,CI,0
COc1ccc(NC(=O)c2c(NC(C)=O)c(C#N)c3n2CCC3)cc1,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCC2,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(OC)cc1)CCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2,CI,0
Oc1cc(NNc2cccc(F)c2)nc(S)n1,CI,0
Oc1cc(NNc2ccccc2)nc(S)n1,CI,0
Nc1nc(O)cc(NNc2cccc(F)c2)n1,CI,0
Nc1nc(O)cc(NNc2ccccc2F)n1,CI,0
Nc1nc(O)cc(NNc2ccc(Cl)c(Cl)c2)n1,CI,0
CCc1ccccc1NNc1cc(O)nc(O)n1,CI,0
Oc1cc(NNc2ccccc2F)nc(O)n1,CI,0
Oc1cc(NNc2cccc(Cl)c2)nc(O)n1,CI,0
Oc1cc(NNc2cccc(F)c2)nc(O)n1,CI,0
Cc1ccc(NNc2cc(O)nc(O)n2)cc1Cl,CI,0
CS(=O)(=O)c1ccc(NNc2cc(O)nc(O)n2)cc1,CI,0
CN(Nc1cc(O)nc(O)n1)c1ccccc1,CI,0
O=C(O)c1ccc(NNc2cc(O)nc(O)n2)cc1,CI,0
Oc1cc(NNc2ccccc2)nc(O)n1,CI,0
Oc1cc(NNc2ccc(F)cc2)nc(O)n1,CI,0
COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C,CI,0
O=C(CCc1ccccc1)NCCc1ccc(O)c(O)c1,CI,0
O=C(CCc1ccc(O)c(O)c1)NCCc1ccccc1,CI,0
O=C(CCc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1,CI,0
O=C(CCc1ccc(O)c(O)c1)NCCc1cc(O)c(O)c(O)c1,CI,0
O=C(CCc1ccc(O)cc1)NCCc1ccc(O)cc1,CM,1
O=C(CCc1cccc(O)c1)NCCc1ccc(O)cc1,CI,0
O=C(CCc1ccc(O)cc1)NCCc1cccc(O)c1,CM,1
O=C(CCc1cccc(O)c1)NCCc1cccc(O)c1,CI,0
NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH],CI,0
O=C(CCc1ccc(O)c(O)c1)NCCc1cc(O)cc(O)c1,CI,0
COc1ccc(CCNC(=O)CCc2ccccc2CO)cc1OC,CI,0
O=C(CCc1ccccc1CO)NCCc1ccccc1,CI,0
COC(=O)C(Cc1ccc(O)c(Br)c1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1,CI,0
Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1,CI,0
Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1,CI,0
Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1,CI,0
COc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1,CI,0
COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1Cl,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1Cl,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(Cl)c1,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1,CI,0
CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1,CI,0
Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C)c1,CI,0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-],CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccccc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccccc1O,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cccc(O)c1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cccc([N+](=O)[O-])c1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccccc1C1C(Cl)C(=O)N1NC(=O)Cc1ccccc1,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccc(O)cc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccccc1Cl,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccc(Cl)cc1,CI,0
COc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1OC,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)ccc1O,CI,0
COc1cc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)cc(Br)c1O,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cc(Br)cc(Br)c1O,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cc(Br)ccc1O,CI,0
O=c1ccc2nc3cc(Br)ccc3sc-2c1,CI,0
O=c1ccc2nc3cc(Cl)ccc3sc-2c1,CI,0
O=c1c(Br)cc2nc3ccccc3sc-2c1Br,CI,0
O=c1c(Cl)cc2nc3ccccc3sc-2c1Cl,CI,0
Cc1ccc2nc3c(Cl)cc(=O)cc-3sc2c1,CI,0
Cc1cc(=O)cc2sc3cc(Cl)ccc3nc1-2,CI,0
Cc1c2nc3ccccc3sc-2cc(=O)c1C,CI,0
Cc1cc(=O)cc2sc3c(C)cccc3nc1-2,CI,0
Cc1ccc2nc3c(C)cc(=O)cc-3sc2c1,CI,0
Cc1ccc2sc3cc(=O)cc(C)c-3nc2c1,CI,0
Cc1ccc2nc3cc(C)c(=O)cc-3sc2c1,CI,0
Cc1ccc(C)c2sc3cc(=O)ccc-3nc12,CI,0
Cc1ccc2nc3c(Cl)c(C)c(=O)cc-3sc2c1,CI,0
Cc1ccc2nc3c(C)c(Cl)c(=O)cc-3sc2c1,CI,0
CC(C)=CCCC(C)c1c2nc3ccccc3sc-2c(C)c(=O)c1O,CI,0
CN(C)c1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1,CI,0
COc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1,CI,0
Cc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1,CI,0
O=C(C(=Cc1ccc(F)cc1)c1ccccc1)c1ccccc1,CI,0
COc1ccccc1C=C(C(=O)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1ccc(Br)cc1)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1cccc(Cl)c1)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1ccccc1Cl)c1ccccc1)c1ccccc1,CI,0
N#Cc1cccc(C=C(C(=O)c2ccccc2)c2ccccc2)c1,CI,0
O=C(C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1ccc(O)cc1)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1,CI,0
N#Cc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1,CI,0
Cc1cc(C)c(C(=O)C(=Cc2ccccc2)c2ccccc2)c(C)c1,CI,0
CCC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21,CI,0
CC(C)CCC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21,CI,0
CC(C)CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21,CI,0
CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21,CI,0
CCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
CCCCCCCCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
CC(C)C1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21,CI,0
CCCCCCCCCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
COc1cccc(N2C(=O)C3CC(C)c4c([nH]c5ccccc45)C3C2=O)c1,CI,0
COc1ccc(N2C(=O)C3CC(C)c4c([nH]c5ccccc45)C3C2=O)cc1,CI,0
CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccc(Br)cc3c21,CI,0
COc1ccc2[nH]c3c(c2c1)C(C)CC1C(=O)N(c2ccccc2)C(=O)C31,CI,0
COc1cccc(N2C(=O)C3CC(CC(C)(C)C)c4c([nH]c5ccccc45)C3C2=O)c1,CI,0
CCCCCCCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21,CI,0
CCCCC1c2c([nH]c3ccccc23)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2C1CCC,CI,0
NC(=S)NN=C1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1C(=O)Nc1cccc([N+](=O)[O-])c1,CI,0
Cc1cccc(C)c1NC(=O)C1C(=O)N(c2c(C)cccc2C)C(=O)C1=NN,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=NO,CI,0
Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NN,CI,0
Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)c(C)c3)C(=O)C2=NNC(N)=O)cc1C,CI,0
Cc1ccccc1NC(=O)C1C(=O)N(c2ccccc2C)C(=O)C1=NN,CI,0
NC(=O)C(=O)NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1C(=O)Nc1ccc(Cl)cc1Cl,CI,0
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NN)cc1,CI,0
Cc1cccc(C)c1NC(=O)C1C(=O)N(c2c(C)cccc2C)C(=O)C1=NNC(N)=S,CI,0
NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NNC(N)=S,CI,0
Cc1ccccc1NC(=O)C1C(=O)N(c2ccccc2C)C(=O)C1=NNC(N)=O,CI,0
Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)cc3)C(=O)C2=NNC(N)=S)cc1,CI,0
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(N)=O)cc1,CI,0
Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)c(C)c3)C(=O)C2=NO)cc1C,CI,0
O=C1CCc2c(Cl)sc(Cl)c21,CI,0
Cl.NC1c2c(Br)sc(Br)c2C(=O)C1O,CI,0
Cl.NC1CC(=O)c2c(Br)sc(Br)c21,CI,0
O=C1CC(NC(=O)C(F)(F)F)c2c1csc2Br,CI,0
Cl.NC1CC(=O)c2c(Cl)sc(Cl)c21,CI,0
Cl.NC1c2c(Cl)sc(Cl)c2C(=O)C1O,CI,0
O=C1c2c(Br)sc(Br)c2C(NC(=O)C(F)(F)F)C1Br,CI,0
O=C1c2c(Br)sc(Br)c2C(NC(=O)C(F)(F)F)C1O,CI,0
Cl.NC1c2c(I)sc(I)c2C(=O)C1O,CI,0
Cl.NC1c2c(csc2Br)C(=O)C1O,CI,0
Cl.NC1c2c(Br)sc(Br)c2C(=O)C1Br,CI,0
Cl.NC1CC(=O)c2c(I)sc(I)c21,CI,0
Cl.NC1CC(=O)c2csc(Br)c21,CI,0
Cc1sc(C)c2c1C(=O)CC2N.Cl,CI,0
O=C1CC(O)c2c(Cl)sc(Cl)c21,CI,0
CN(CCC#N)C1=CCCC1,CI,0
NC(C(=O)O)C1=CCCC1,CI,0
COC(=O)C1C=CC(NC(C)=O)C1,CI,0
CN(C)C(CN)CC1=C(CC(CN)N(C)C)CCC1,CI,0
CN(C)CC(CC1=C(CC(CN(C)C)N(C)C)CCC1)N(C)C,CI,0
CCOC(=O)C1=CC(C(C)CC(=O)CC(=O)O)CC1,CM,1
C=CC1=CC(C)CC1(O)C(=O)OC,CI,0
COC(=O)C1(O)CC(C)C=C1C=O,CI,0
CC1C(C#N)(C#N)C(C#N)=C(N)C1(C)[N+](=O)[O-],CI,0
CC1C(C#N)(C#N)C(C#N)=C(N)C1(Cl)[N+](=O)[O-],CI,0
CC(=O)C1(C)CC(C#N)(C#N)C(C#N)=C1N,CI,0
CCCC1C(C#N)(C#N)C(C#N)=C(N)C1(C)C(C)=O,CI,0
CC1CC(N)=C(C#N)C1(C#N)C#N,CI,0
CC1=C(C#N)C(C#N)(C#N)C(NN(C)C)C1.Cl,CI,0
CC1CC(NN(C)C)=C(C#N)C1(C#N)C#N,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NO)CC3OC1CC(N)C(O)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3OC1CC(N)C(O)C(C)O1,CI,0
CC1OC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)CC(N)C1O,CI,0
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N(C)C)C(O)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(C)C)C(O)C(C)O1,CI,0
CCN(CC)C1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O,CI,0
COCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(O)C(O)C(C)O1,CI,0
CCCCCCCCCCNC1CC(OC2CC(O)(C(O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(OC)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N=[N+]=[N-])C(OC)C(C)O1,CI,0
COCC(C#N)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O,CI,0
N=C(N)SCc1c2ccccc2c(CSC(=N)N)c2ccccc12,CI,0
Cc1c2ccccc2c(CSC(=N)N)c2ccccc12,CI,0
Cc1c2ccccc2c(CSCC(N)C(=O)O)c2ccccc12,CI,0
Cc1c2ccccc2c(CSCCC(N)C(=O)O)c2ccccc12,CI,0
O=S(=O)(CC#CCO)c1c2ccccc2cc2ccccc12,CI,0
Cl.NCCCN(CCCN)CCCNCc1c2ccccc2c(CNCCCN(CCCN)CCCN)c2ccccc12,CM,1
Cl.NCCNCc1c2ccccc2c(CNCCN)c2ccccc12,CI,0
Cl.NCCCNCc1c2ccccc2c(CNCCCN)c2ccccc12,CI,0
Cl.NCCNCCNCc1c2ccccc2c(CNCCNCCN)c2ccccc12,CM,1
Cl.NCCCNCCCCNCCCNCc1c2ccccc2c(CNCCCNCCCCNCCCN)c2ccccc12,CI,0
CC(=O)OCc1cc(OC(C)=O)c2cc3c(OC(C)=O)cccc3c(OC(C)=O)c2c1,CI,0
CC(=O)OC(OC(C)=O)c1c2ccccc2cc2ccccc12,CI,0
CCOC(=O)C(Cc1c2ccccc2cc2ccccc12)(NC(C)=O)C(=O)OCC,CI,0
Cl.NC(Cc1c2ccccc2cc2ccccc12)C(=O)O,CI,0
CCN(CC)N=Cc1c2ccccc2cc2ccccc12,CI,0
Cc1c2ccccc2n[c-](CCl)[n+]1=O,CI,0
CSC[c-]1nc2ccccc2c(C)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](C)[n+]1=O,CI,0
CCCCSC[c-]1nc2ccccc2c(C)[n+]1=O,CM,1
Cc1c2ccccc2n[c-](CSCCC(C)C)[n+]1=O,CA,1
CCCCCCCSC[c-]1nc2ccccc2c(C)[n+]1=O,CM,1
Cc1c2ccccc2n[c-](CSC#N)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](CSCCO)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](CSOCCO)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](CS(=O)(=O)CCO)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](CS(C)=O)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](CS(C)(=O)=O)[n+]1=O,CI,0
Cc1c2cc(Br)ccc2n[c-](CCl)[n+]1=O,CI,0
Cc1c2ccccc2n[c-](CSCC(O)CO)[n+]1=O,CI,0
C[c-]1nc2ccccc2c(C(=O)NO)[n+]1=O,CI,0
CCCCCCCCCCCCOC(=N)N1CCOCC1,CI,0
N#CCC(C#N)N1CCOCC1,CI,0
CCCCCCCCCCCCC(=O)N1CCOCC1,CI,0
C=CCCCCCCCCC(=O)NCCN1CCOCC1,CI,0
C=C(Br)CNC(=O)NCCN1CCOCC1,CI,0
CC1CN(CCO)CC(C)O1,CI,0
CCOC(=O)C(=O)NCCCN1CCOCC1,CI,0
N#CC(C#N)=CN1CCOCC1,CI,0
O=C(CN1CCOCC1)CC(O)(C(F)(F)F)C(F)(F)F,CI,0
O=[N+]([O-])C(Cl)=C(C(Cl)=C(Cl)Cl)N1CCOCC1,CI,0
CN(C)C=NCCN1CCOCC1,CI,0
CC(NC(=O)C(N)CC(=O)O)NC(=O)N1CCOCC1,CI,0
CCCC(=O)NC(C(=O)OCC)(N1CCOCC1)C(F)(F)F,CI,0
O=P(O)(O)C(NCC(O)CN1CCOCC1)P(=O)(O)O,CI,0
CC(O)(P(=O)(O)O)P(=O)(O)OCC(O)CN1CCOCC1,CI,0
CC1CC(=O)Nc2ccccc2N1,CI,0
Cc1cc2c(cc1C)NC(C)CC(=O)N2,CI,0
Cc1cc2c(cc1C)NC(=O)C(C)CN2,CI,0
CC(=O)c1ccc2c(c1)NC(=O)CC(C)N2,CI,0
CC1CC(=O)Nc2cc(C(F)(F)F)ccc2N1,CI,0
C=CCNC(=S)N1c2ccccc2NC(=O)CC1C,CI,0
C=CCNC(=S)N1CC(C)C(=O)Nc2ccccc21,CI,0
C=CCNC(=S)N1CC(C)C(=O)Nc2cc(Cl)ccc21,CI,0
CC(C)=CCN1c2ccccc2NC(=O)CC1C,CM,1
CC(C)=CCN1CC(C)C(=O)Nc2ccccc21,CM,1
CC(C)=CCN1CC(C)C(=O)Nc2cc(Cl)ccc21,CI,0
CC(C)=CCN1c2ccc(Cl)cc2NC(=O)CC1C,CI,0
C=CCNC(=O)N1CC(C)C(=O)Nc2ccccc21,CI,0
CC1CC(=O)Nc2ccc(N=NN(C)C)cc2N1C=O,CI,0
CC(=O)N1c2cc(N=NN(C)C)ccc2NC(=O)CC1C,CI,0
C=CN1CCCC1=O.II,CI,0
CCOC(=O)C1(C(=O)OCC)NC(=O)CC1CC,CI,0
O=C1CCCN1CO,CI,0
C=CN1CCCC1=O,CI,0
COC1CCC(=O)N1CCC=C(Br)[Si](C)(C)C,CI,0
C[Si](C)(C)C=CCN1C(=O)CCC1O,CI,0
CC=C(CCCCN1C(=O)CCC1O)[Si](C)(C)C,CI,0
C[Si](C)(C)C(Br)=CCCN1C(=O)CCC1O,CI,0
CC(CC(=O)N1C(=O)C(C)(C)C(O)C1CC(C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,CI,0
C=CCC1CCN(C=C)C1=O,CI,0
CC(C)(C)OC(=O)N1CCCC1=O,CI,0
CCOC(=O)C1(C)CC(O)C(=O)N1C,CI,0
CCOC(=O)C1CC(O)C(=O)N1C,CI,0
CCOP(=O)(OCC)C1CC(O)C(=O)N1,CI,0
C=CCCC(=O)N1CCC(C(=O)OCC)C1=O,CI,0
NN1CCc2ccccc2C1.O=C(O)C=CC(=O)O,CI,0
N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,CI,0
CCOC(=O)CC1NCCc2cc(OC)c(OC)c([N+](=O)[O-])c21,CI,0
COCC(C)(C)N=CN1CCc2ccccc2C1,CI,0
COCC(C)(C)N=CN1CCc2cc(OC)c(OC)cc2C1,CI,0
COCC(N=CN1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C,CI,0
COCC(N=CN1CCc2cc(OC)c(OC)cc2C1C)C(C)(C)C,CI,0
COCC(C)N=CN1CCc2ccccc2C1,CI,0
COCC(N=CN1CCc2cc(OC)ccc2C1)C(C)C,CI,0
COc1cc2c(cc1OC)C(CC(=O)NN=C(C)C)NCC2,CI,0
COc1cc2c(cc1OC)C(C(CO)CO)N(CC(O)CCl)CC2,CI,0
COC(=O)C1Cc2ccc(O)c(O)c2CN1.Cl,CI,0
COc1cc2c(cc1OC)C(C)(C(O)C(O)C(C)(C)O)NCC2,CI,0
CC(C)(C)OC(=O)N1Cc2cc(O)ccc2CC1C(=O)O,CI,0
CN1Cc2cc(O)c(O)cc2C(O)C1,CI,0
O=S(=O)(O)c1cc(N=Nc2ccc(O)cc2)ccc1C=Cc1ccc(N=Nc2ccc(O)cc2)cc1S(=O)(=O)O,CI,0
O=C(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1O,CM,1
CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1,CA,1
O=S(=O)(O)c1cc(N=Nc2ccc(O)cc2O)ccc1C=Cc1ccc(N=Nc2ccc(O)cc2O)cc1S(=O)(=O)O.[NaH],CM,1
O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1
Nc1cc(N)c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(N)cc(N)cc4C(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(C(=O)O)c1.[NaH],CM,1
O=C(O)c1c(O)ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(O)c(C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[NaH],CI,0
O=C(O)c1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(C(=O)O)cc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c1.[NaH],CI,0
O=S(=O)(O)c1ccc(O)c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)ccc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1.[NaH],CI,0
O=C(O)c1cc(O)c(Br)c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)cc(O)c(Br)c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
O=C(O)c1cc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)c(C(=O)O)c2)ccc1N=Nc1c(O)cc(O)cc1C(=O)O,CM,1
O=C(O)c1cc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)c(C(=O)O)c2)ccc1N=Nc1c(O)cc(O)cc1C(=O)O.[NaH],CM,1
O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2)cc1,CM,1
O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2)cc1.[NaH],CM,1
O=C(O)c1cc(N=Nc2c(O)cc(O)cc2C(=O)O)ccc1C=Cc1ccc(N=Nc2c(O)cc(O)cc2C(=O)O)cc1C(=O)O,CM,1
CC12C=CC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F,CI,0
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CI,0
CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F,CI,0
CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CI,0
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,CI,0
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CI,0
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1O,CI,0
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,CI,0
CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(Br)C(O)CC21C,CI,0
CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CI,0
CC12C=CC(=O)C=C1C(F)CC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F,CI,0
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O,CI,0
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,CI,0
CCNC(=O)C(O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,CI,0
CC(=O)OC1CCC2C3CCC4=CC(=O)C=CC4(O)C3CCC12C,CI,0
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12,CI,0
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12,CI,0
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4CC3CC12,CI,0
CC(O)C(NCNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O)C(=O)O,CI,0
CN(C)C1C(O)=C(C(=O)NCNCCCC(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0
CN(CCO)CNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O,CI,0
CN(C)C1C(O)=C(C(=O)NCNC(CO)(CO)CO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0
CN(C)C1C(O)=C(C(=O)NCNC(CCS(C)=O)C(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0
CN(C)C1C(O)=C(C(=O)NCNCCCO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O,CI,0
CN(C)C1C(O)=C(C(=O)NCNC(CO)(CO)CO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O,CI,0
CN(C)C1C(O)=C(C(=O)NCNC(C=O)C(O)C(O)C(O)CO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O,CI,0
CN(C)C1C(O)=C(C(=O)NCNCCC(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O,CI,0
CC(O)C(NCNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O)C(=O)O.CS(=O)(=O)O,CI,0
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0
CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl,CI,0
CC1=CC(=C(c2cc(C)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C(Br)C1=O,CI,0
O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1,CI,0
CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O,CI,0
CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O,CI,0
COC1=CC(=C(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)C=CC1=O,CI,0
CC(C)(C)C1=CC(=C(c2ccccc2)c2ccccc2)C=C(C(C)(C)C)C1=O,CI,0
CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O,CI,0
O=C1C(I)=CC(=C(c2cc(I)c(O)c(I)c2)c2ccccc2C(=O)O)C=C1I,CI,0
CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O.[NaH],CM,1
CC1=CC(=C(c2cccc(S(=O)(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O.[NaH],CI,0
CC1=CC(=C(c2ccccc2S(=O)(=O)O)c2cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c2C)C(C)=C(CN(CC(=O)O)CC(=O)O)C1=O.[NaH],CI,0
O=C1C=CC(=C(c2ccc(O)cc2)c2c(Br)c(Br)c(Br)c(Br)c2S(=O)(=O)O)C=C1,CI,0
N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O,CI,0
CC1=C(O)C(=C(c2cc(C(=O)O)c(O)cc2O)c2cc(C(=O)O)c(O)c(C)c2O)C=C(C(=O)O)C1=O.N,CA,1
Cc1cc(C(=C2C=CC(=O)C(C(=O)O)=C2O)c2cc(C)c(O)c(C(=O)O)c2O)c(O)c(C(=O)O)c1O.N,CA,1
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(CO2)C(OC(C)=O)C1OC(C)=O,CI,0
CCOC(=O)C1(CC)OC12CCCCC2,CI,0
CCCCC1(C(=O)OCC)OC12CCCCC2,CI,0
O=C(O)C1OC12CCCCC2,CI,0
OC1C(O)C(O)C2(CO2)C(O)C1O,CI,0
CC1(C(N)=O)OC12CCCCC2,CI,0
CC(C)(C)C1CCC2(CC1)CO2,CI,0
CC1(C(=O)O)OC12CCCCC2,CI,0
CCCCOC(=O)C1OC12CCCCC2,CI,0
CCCOC(=O)C1OC12CCCCC2,CI,0
COC(=O)C1OC12CCCCC2,CI,0
CCOC(=O)C1OC12CCC(C(C)(C)C)CC2,CI,0
CCCCCC#CC1OC12CCCCC2,CI,0
CCCCCCCCOC1C(O)C(O)C(O)C(O)C12CO2,CI,0
CCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(O)C(O)C12CO2,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C,CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(B(O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(B(O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5ccc(OCc6ccccc6B(O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6B(O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CI,0
c1ccc2c(c1)CC1COc3ccccc3C1O2,CI,0
COc1ccc2c(c1)C1Oc3ccccc3CC1CO2,CI,0
COc1ccc2c(c1)OCC1Cc3ccccc3OC21,CI,0
COc1cccc2c1OCC1Cc3ccccc3OC21,CI,0
COc1cccc2c1OC1c3ccccc3OCC1C2,CI,0
COc1ccc2c(c1)OCC1Cc3cccc(OC)c3OC21,CI,0
COc1ccc2c(c1)CC1COc3cc(OC)ccc3C1O2,CI,0
CC(C)Oc1ccc2c(c1)OCC1Cc3ccccc3OC21,CI,0
Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2,CI,0
OC12COc3ccccc3C1Oc1ccccc1C2,CI,0
COc1cccc2c1OC1c3ccccc3OCC1(O)C2,CI,0
COc1ccc2c(c1)OCC1(O)Cc3ccccc3OC21,CI,0
COc1ccc2c(c1)C1Oc3ccccc3CC1(O)CO2,CI,0
COc1ccc2c(c1)CC1(O)COc3cc(OC)ccc3C1O2,CI,0
COc1cc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(OC)cc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)c1,CI,0
COC(=O)c1ccc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1,CI,0
N#Cc1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1,CI,0
Fc1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1,CI,0
COc1cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)O,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
COc1ccc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1,CI,0
COc1cc(OC)cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)c1,CI,0
COc1cc(Oc2nc3cc(F)c(F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(OC)cc(Oc2nc3cc(F)c(F)cc3nc2-c2ccccc2)c1,CI,0
O=C1CSC(c2ccccc2O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C1CSC(c2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
Cc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
COc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
COc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1OC,CI,0
COc1cc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc(OC)c1OC,CI,0
O=C1CSC(c2cccc(Cl)c2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
COc1ccccc1C1SCC(=O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
COc1cccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)c1OC,CI,0
O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
COc1cc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)ccc1O,CI,0
O=C1CSC(c2ccccc2O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
O=C1CSC(c2ccccc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
Cc1ccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1,CI,0
COc1ccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1,CI,0
COc1ccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1OC,CI,0
COc1cc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc(OC)c1OC,CI,0
O=C1CSC(c2cccc(Cl)c2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
COc1ccccc1C1SCC(=O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
COc1cccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)c1OC,CI,0
O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
COc1cc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)ccc1O,CI,0
N#Cc1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
N#Cc1sc2c(c1OC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
N#Cc1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
COc1ccc(C(=O)Oc2c(C#N)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc1,CI,0
COc1cc(C(=O)Oc2c(C#N)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc(OC)c1OC,CI,0
N#Cc1sc2c(c1OC(=O)c1ccc(C(F)(F)F)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
COc1cc(C(=O)Oc2c(C(C)=O)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc(OC)c1OC,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccc(OC)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC1(C)Oc2ccc3ccc(=O)oc3c2C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
Cc1cc2ccc3c(c2oc1=O)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3,CA,1
Cc1cc2ccc(=O)oc2c2c1OC(C)(C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C2OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
Cc1c(Cl)c(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
COc1cc2c(c3oc(=O)ccc13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2,CA,1
COc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
COc1cc2ccc3c(c2oc1=O)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3,CA,1
COc1cc2ccc(=O)oc2c2c1OC(C)(C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C2OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CI,0
COc1cc2c(c3oc(=O)cc(C)c13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2,CA,1
Cc1cc2c(c3oc(=O)ccc13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2,CA,1
CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1
Cc1cc2c(c3oc(=O)cc(C)c13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2,CM,1
CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3=O,CI,0
CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O,CM,1
CCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3=O,CI,0
CCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O,CI,0
COc1cc2c(c3oc(=O)cc(C)c13)C(=O)C(C)C(C)O2,CI,0
CCOC(=O)Cc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O,CI,0
CCCc1cc(=O)oc2c3c(cc(OC(C)CC)c12)OC(C)C(C)C3=O,CI,0
Cc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O,CI,0
CC(C)Oc1cc2c(c3oc(=O)cc(CCl)c13)C(=O)C(C)C(C)O2,CI,0
CC1Oc2cc(O)c3ccc(=O)oc3c2C(=O)C1C,CI,0
CCCOc1cc2c(c3oc(=O)cc(CCC)c13)C(=O)C(C)C(C)O2,CI,0
CCCc1cc(=O)oc2c3c(cc(OCC)c12)OC(C)C(C)C3=O,CI,0
CCCc1cc(=O)oc2c3c(cc(OC(C)COC)c12)OC(C)C(C)C3=O,CM,1
CCCc1cc(=O)oc2c3c(cc(OC(C)CI)c12)OC(C)C(C)C3=O,CI,0
CN(C)CC1CCCCCCCCCC(CN(C)C)C1=O.Cl,CI,0
CCN(CC)CC1CCCCCCCCCCC1=O.Cl,CI,0
C[N+](C)(C)CC1CCCCCCCCCCC1=O.[I-],CI,0
CN(C)CC1CCCCCCCCCCC1=O.Cl,CI,0
C=CCC1(C)CCCCCCCCCC(C)(CC=C)C1=O,CI,0
CSCCCSC1CCCCCCCCCCC1=O,CI,0
COC(=O)C1(CCCCCBr)CCCCCCCCCCC1=O,CI,0
O=C1CCCCCCCCCCC1CCCCCBr,CI,0
CN(C)CC1CCCCCCCCCCC1=O,CI,0
CC1(C)CCCCCC(O)C(O)CCC(C)(C)C1=O,CI,0
CC1(C)CCCCCCCCCC(C)(CCCO)C1=O,CI,0
CC1(C)CCCCCCCCCC(C)(CCCCCCCCCCCCO)C1=O,CI,0
CC1(CCCO)CCCCCCCCCC(C)(CCCO)C1=O,CI,0
CCOC(=O)C1(CC=CCBr)CCCCCCCCCCC1=O,CI,0
CCSC(SCC)=C1C(=O)N(c2ccccc2)N=C1C,CI,0
CCCCCCCCSC(SCCCCCCCC)=C1C(=O)N(c2ccccc2)N=C1C,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(N)=S,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NNC(C)=O,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(C)=S,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S,CI,0
CC1=NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S,CI,0
C=CCNC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C(=O)OCC,CI,0
CC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C,CI,0
C=CCNC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C,CI,0
CC1=NN(c2ccccc2)C(=O)C1=CNC(N)=S,CI,0
CC(=O)NNC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C,CI,0
CSC(SC)=C1C(=O)N(c2ccccc2)N=C1C,CI,0
CSC1=NN(c2ccccc2)C(=O)C1=C(SC)SC,CI,0
COc1cc(Cl)c2c3c(c(C(C)=O)oc13)CCC2,CI,0
COc1ccc2c3c(coc13)C(CCC(=O)O)CC2,CI,0
COc1ccc2c3c(c(C(=O)O)oc13)C(CCC(=O)O)CC2,CI,0
COc1ccc2oc(C(=O)O)c3c2c1CCC3,CI,0
Oc1ccc2occ3c2c1CCC3,CI,0
O=C(O)CCC1CCc2cccc3oc(C(=O)O)c1c23,CI,0
O=[N+]([O-])c1ccc2occ3c2c1CCC3,CM,1
COc1ccc2oc(C(=O)O)c3c2c1CCC3CCC(=O)O,CI,0
COc1ccc2c3c(c(C(=O)O)oc13)CCC2,CI,0
CCOC(=O)c1oc2ccc(OC)c3c2c1CCC3,CI,0
O=C(O)c1oc2cccc3c2c1CCC3,CI,0
CCOC(=O)c1oc2c(OC)ccc3c2c1CCC3,CI,0
CCOC(=O)c1oc2c(OC)cc(Cl)c3c2c1CCC3,CI,0
O=C(O)CCC1CCc2cccc3occ1c23,CI,0
CSC(=S)NN=Cc1nccc2ccccc12,CI,0
CC(C)(C)c1cc2ccc(C(N)=O)cc2c(O)n1,CI,0
Cl.NC(=O)c1cc2cc(O)c(O)cc2cn1,CI,0
Cl.NC(=O)c1cc2ccc(O)c(O)c2cn1,CI,0
COC(=O)c1cc2ccc(O)c(O)c2cn1.Cl,CI,0
Cl.O=C(O)c1cc2ccc(O)c(O)c2cn1,CI,0
COC(=O)c1cc2ccc(OC(C)=O)c(OC(C)=O)c2cn1,CI,0
CN(C)C=Nc1cccc2cnccc12,CI,0
COC(=O)c1cc2ccc(O)c(O)c2cn1,CI,0
COC(=O)c1cc2cc(O)c(O)cc2cn1,CI,0
COC(=O)c1cc2cc(O)c(O)cc2cn1.Cl,CI,0
Nc1nccc2c([N+](=O)[O-])cccc12,CI,0
CC(=O)Oc1cccc2c(C=NNC(N)=S)ncc(C)c12,CI,0
CCN(C(C)=O)c1cnc(C=NNC(N)=S)c2ccccc12,CI,0
O=C1C(=Cc2ccccc2[N+](=O)[O-])CCCc2ccccc21,CI,0
O=C1C(=Cc2ccccc2)CCCc2ccccc21,CI,0
COc1ccc(C=C2CCCc3ccccc3C2=O)cc1,CI,0
COc1cccc(C=C2CCCc3ccccc3C2=O)c1,CI,0
Cc1ccc(C=C2CCCc3ccccc3C2=O)cc1,CI,0
Cc1cccc(C=C2CCCc3ccccc3C2=O)c1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)CCCc2ccccc21,CI,0
O=C1C(=Cc2cccc(Cl)c2)CCCc2ccccc21,CI,0
O=C1C(=Cc2cccc(F)c2)CCCc2ccccc21,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CCCc2ccccc21,CI,0
O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCCc2ccccc21,CI,0
CN(C)c1ccc(C=C2CCCc3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc(Br)cc2)CCCc2ccccc21,CI,0
COc1cc(C=C2CCCc3ccccc3C2=O)cc(OC)c1OC,CI,0
CCCC(=O)Nc1cc2c3c(c1)CCCN3CCC2,CI,0
CCOC(=O)C(C#N)=Cc1cc2c3c(c1)CCCN3CCC2,CI,0
NCCc1cc2c3c(c1)CCCN3CCC2,CI,0
CN(C)c1cc2c3c(c1)CCCN3CCC2,CI,0
NC(=S)NN=Cc1cc2c3c(c1)CCCN3CCC2,CI,0
Cc1cc2c3c(c1)CCCN3CCC2.Cl,CI,0
COc1cc2c3c(c1)CCCN3CCC2,CI,0
CC(=O)N(C(C)=O)c1cc2c3c(c1)CCCN3CCC2,CI,0
Br.Oc1cc2c3c(c1)CCCN3CCC2,CI,0
CNC(=O)Nc1cc2c3c(c1)CCCN3CCC2,CI,0
CN(C)C(=O)Nc1cc2c3c(c1)CCCN3CCC2,CM,1
CCN(CC)c1cc2c3c(c1)CCCN3CCC2.Cl,CI,0
CC(=O)Nc1cc2c3c(c1)CCCN3CCC2,CI,0
CCNc1cc2c3c(c1)CCCN3CCC2.Cl,CI,0
COc1cc(CNCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
CC(C)(CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-],CI,0
NC(=O)C(NCc1ccccc1)c1ccccc1,CI,0
CCCC(=O)C(CC)C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0
CCCCCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(N)=O,CI,0
CCCC(=NNC(=O)C(N)=O)C(CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1,CI,0
C[N+](C)(C)CC(=O)NC(=O)NN=CC(CC#N)CN(Cc1ccccc1)Cc1ccccc1.[Cl-],CI,0
CNC(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0
CCCCNC(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0
CN(C)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0
CON(C)C(=O)C(C)N(Cc1ccccc1)Cc1ccccc1,CI,0
S=C(S)N(Cc1ccccc1)Cc1ccccc1.[NaH],CI,0
Cc1cc(CO)c(O)c(CNCc2cc(C)cc(CO)c2O)c1,CI,0
CCCCOC(=O)C(NC(C(=O)OCCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CI,0
CCS(=O)(=O)CCOP(=O)(c1ccccc1)c1ccccc1,CI,0
CC(C)C(=NP(=O)(c1ccccc1)c1ccccc1)N(C)C,CI,0
CN(C)P(=O)(c1ccccc1)c1ccccc1,CI,0
C=CCP(=O)(c1ccccc1)c1ccccc1,CI,0
CC=CCP(=O)(c1ccccc1)c1ccccc1,CI,0
C=C=CP(=O)(c1ccccc1)c1ccccc1,CI,0
CCCCCC#CCOC(=O)C(=[N+]=[N-])P(=O)(c1ccccc1)c1ccccc1,CI,0
CC(C)OP(=O)(OC(C)C)C(C[Sn](C)(C)Cl)P(=O)(c1ccccc1)c1ccccc1,CI,0
Cc1ccc([N+](=O)[O-])cc1P(=O)(O)c1cc([N+](=O)[O-])ccc1C,CI,0
O=C(O)c1ccc(P(=O)(O)c2ccc(C(=O)O)cc2Br)c(Br)c1,CI,0
O=C(O)c1ccccc1P(=O)(O)c1ccccc1,CI,0
NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1,CI,0
O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(C(F)(F)F)C(F)(F)F,CI,0
CC(C)C(Cl)=NOC(NC(=O)P(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F,CI,0
O=C1NC(=O)C(=Cc2ccc(F)cc2)N1,CI,0
O=C1NC(=O)C(=Cc2cccc(Br)c2)N1,CI,0
O=C1NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)N1,CI,0
CCOc1ccccc1C=C1NC(=O)NC1=O,CI,0
O=C1NC(=O)C(=Cc2cccc(O)c2)N1,CI,0
NNS(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1,CI,0
CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN)cc2)C1=O,CI,0
O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)N1,CI,0
CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)C1=O,CI,0
O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)CO)cc2)N1,CI,0
CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)CO)cc2)C1=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1)OC(C)=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O,CI,0
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
N#CC(=C(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
CCN(CC)CCOc1ccc(C(C#N)=C(c2ccccc2)c2ccccc2)cc1,CI,0
CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
O=S(=O)(OC(=C(c1ccccc1)c1ccccc1)c1ccccc1)C(F)(F)F,CI,0
CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0
CCC(=C(c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1.[I-],CI,0
O=C(O)C(=C(c1ccccc1)c1ccc(Cl)cc1)c1ccccc1,CI,0
COC(=O)c1cc(C(=Cc2c(F)c(F)c(F)c(F)c2F)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COc1c(Cl)cc(C(=Cc2c(F)c(F)c(F)c(F)c2F)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CM,1
CN(C)Cc1cc(C(=C(C#N)c2ccccc2)c2ccc(O)cc2)ccc1O,CI,0
Oc1ccc(C(=C(Br)c2ccccc2)c2ccc(O)cc2)cc1,CI,0
COc1ccc(C(=C(Cl)c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C(=C(I)c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
COC1Cc2ccccc2C1O,CI,0
N#CC1(O)Cc2ccccc2C1,CI,0
COC(=O)C(Br)C1CCc2ccccc21,CI,0
O=C(O)CCC(=O)c1ccc2c(c1)C(C(=O)O)CC2,CI,0
O=C(O)CCCc1ccc2c(c1)C(C(=O)O)CC2,CI,0
CC(C)OC(=O)C1(C(C)C)CCc2ccc(C(=O)CCC(=O)O)cc21,CI,0
COC(=O)C=Cc1ccc2c(c1)CCC2,CI,0
COC(=O)CCc1ccc2c(c1)CCC2,CI,0
COC(=O)CCCc1ccc2c(c1)CCC2,CI,0
COC(=O)CCC(=O)c1ccc2c(c1)CCC2,CI,0
COC(=O)c1cc2c(c(C(=O)OC)c1)CCC2,CI,0
[N-]=[N+]=CC(=O)OC1CCc2ccccc21,CI,0
[N-]=[N+]=CC(=O)OC1Cc2ccccc2C1,CI,0
CS(=O)(=O)OC1C(O)c2ccccc2C1N=[N+]=[N-],CI,0
Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O,CI,0
O=S1(=O)OC(c2cc(Cl)c(O)c(Br)c2)(c2cc(Cl)c(O)c(Br)c2)c2ccccc21,CM,1
Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br,CI,0
O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21,CI,0
Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br,CM,1
O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21,CI,0
Cc1cc(O)ccc1C1(c2ccc(O)cc2C)OS(=O)(=O)c2ccccc21,CI,0
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,CI,0
Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O,CI,0
O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21,CI,0
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21,CI,0
Cc1c(C2(c3cc(C(C)C)c(O)c(CN(CC(=O)O)CC(=O)O)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O,CI,0
Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O,CI,0
Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CI,0
COc1cccc(C=C2Sc3scc(-c4ccccc4)[n+]3C2=O)c1O.[Cl-],CI,0
O=C1C(=Cc2ccc(Cl)cc2Cl)Sc2scc(-c3ccc(O)c(O)c3)[n+]21.[Cl-],CI,0
O=C1C(=Cc2ccc(Cl)cc2Cl)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21.[Cl-],CI,0
COc1ccccc1C=C1Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]2C1=O.[Cl-],CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21.[ClH2+],CI,0
O=C1C(=Cc2cccc([N+](=O)[O-])c2)Sc2scc(-c3ccc([N+](=O)[O-])cc3)[n+]21.[Br-],CI,0
Cc1ccc(C=C2Sc3scc(-c4ccccc4)[n+]3C2=O)cc1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21.[Cl-],CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Sc2scc(-c3ccc(O)c(O)c3)[n+]21.[Cl-],CI,0
COc1cc(C=C2Sc3scc(-c4cccc([N+](=O)[O-])c4)[n+]3C2=O)cc(OC)c1OC.[Cl-],CI,0
COc1ccccc1C=C1Sc2scc(-c3ccc(O)c(O)c3)[n+]2C1=O.[Cl-],CI,0
COc1ccc(C=C2Sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3C2=O)cc1OC.[Br-],CI,0
Cc1ccc(C=C2Sc3scc(-c4ccccc4)[n+]3C2=O)cc1.[Cl-],CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccccc1,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc([N+](=O)[O-])cc1,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1cccc([N+](=O)[O-])c1,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccccc1[N+](=O)[O-],CI,0
Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1,CI,0
Cc1cccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)c1,CI,0
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)cc1,CI,0
COc1cccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)c1,CI,0
COc1ccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)cc1,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc(Cl)cc1Cl,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccccc1Cl,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1cccc(Cl)c1,CI,0
O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc(Cl)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1,CI,0
COc1cccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)c1,CI,0
COc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1,CI,0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1,CI,0
Cc1cn(C2CC3C(COCN3O)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC3C(COC(C)(C)N3O)O2)c(=O)[nH]c1=O,CA,1
CCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O,CM,1
CCOC(=O)CCC1(C)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O,CI,0
CSCCC1OCC2OC(n3ccc(=O)[nH]c3=O)CC2N1O,CI,0
Cc1cn(C2CC3C(COC(C)N3O)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC3C(COC(CCl)N3O)O2)c(=O)[nH]c1=O,CI,0
CCSC(CCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O)SCC,CI,0
Cc1cn(C2CC3C(COC(CCN=[N+]=[N-])N3O)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC3C(COC(C(Cl)Cl)N3O)O2)c(=O)[nH]c1=O,CI,0
CCCCCCCCCCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O,CI,0
Cc1cn(C2CC3C(COC(CC[Se]C#N)N3O)O2)c(=O)[nH]c1=O,CM,1
C[Se]CCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O,CA,1
CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(Cl)c(Cl)c2)s1,CI,0
CCOc1ccc(C=CC(=O)c2sc(NNC(C)=O)nc2C)cc1,CI,0
CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(NC(C)=O)cc2)s1,CI,0
CC(=O)NNc1ncc(C(=O)C=Cc2ccccc2C)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(Cl)cc2)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(N(C)C)cc2)s1,CI,0
Cc1ccc(C=CC(=O)c2sc(C(N)=S)nc2C)cc1,CI,0
CC(=O)Nc1ccc(C=CC(=O)c2sc(C(N)=S)nc2C)cc1,CI,0
Cc1nc(C(N)=S)sc1C(=O)C=Cc1cccc(O)c1,CI,0
COc1cc(C=CC(=O)c2sc(NNC(C)=O)nc2C)ccc1O,CI,0
CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccccc2Cl)s1,CI,0
CC(=O)NNc1nc(C)c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)s1,CM,1
COc1cccc(C=CC(=O)c2sc(C(N)=S)nc2C)c1O,CI,0
O=C(O)c1ccc(CS(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
Cc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
COc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
O=C(O)c1ccc(CS(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
Nc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1,CI,0
O=C(O)c1ccc(CS(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)c2ccccc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)c2ccc(N)cc2)c([N+](=O)[O-])c1,CI,0
CCOC(=O)c1ccc(CS(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1,CI,0
COc1ccc(S(=O)Cc2cc(OC)ccc2OC)cc1,CI,0
COc1cc(CS(=O)c2ccc(O)cc2)cc(OC)c1OC,CI,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(O)C1O,CI,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(O)C1O,CI,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCC)C1O,CI,0
CCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCC)C1O,CI,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCCCC)C1O,CI,0
CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCCCCCC)C1O,CI,0
CC1OC(n2cc(F)c(=O)[nH]c2=O)CCC1O,CI,0
CC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)N(CCCl)N=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)N(CCCl)N=O)C(O)C1O,CI,0
CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2cc(I)c(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2cc([N+](=O)[O-])c(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C(F)C2O)cc1F,CM,1
CCc1cccc(C(C)CC)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0
CCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)cc1,CI,0
Cc1cccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c1C,CI,0
Cc1c(Cl)cccc1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0
O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Cl,CI,0
Cc1ccc(C)c(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c1,CI,0
Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1,CI,0
CCc1cccc(C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0
Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)cc1C,CI,0
O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1,CI,0
Cc1cccc(C(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0
O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1cccc(Cl)c1,CI,0
O=C(Nc1ccccc1)c1cc2cc(N=Nc3ccc(Br)cc3)ccc2oc1=O,CI,0
Cc1cccc(NC(=O)c2cc3cc(N=Nc4ccc(Br)cc4)ccc3oc2=O)c1,CI,0
O=C(Nc1ccccc1Cl)c1cc2cc(N=Nc3ccc(Br)cc3)ccc2oc1=O,CI,0
O=C(Nc1ccc(Cl)cc1)c1cc2cc(N=Nc3ccc(Br)cc3)ccc2oc1=O,CI,0
COc1ccc(NC(=O)c2cc3cc(N=Nc4ccc(Br)cc4)ccc3oc2=O)cc1,CI,0
CCOc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1,CI,0
CCOc1ccccc1N=Nc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1,CI,0
Cc1cccc(NC(=O)c2cc3cc(N=Nc4ccccc4Cl)ccc3oc2=O)c1,CI,0
O=C(Nc1ccc(Cl)cc1)c1cc2cc(N=Nc3ccccc3Cl)ccc2oc1=O,CI,0
COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccccc4)cc3c2)cc1,CI,0
COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccccc4C)cc3c2)cc1,CI,0
COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccc(Cl)cc4)cc3c2)cc1,CI,0
COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1,CI,0
N#CC(C#N)c1ccc(C(=O)N2CCCC2CO)cc1,CI,0
[N-]=[N+]=CC(=O)C1CCCN1C(=O)c1ccccc1,CI,0
CCN(CC)C(=O)C1CC(O)CN1C(=O)c1ccc(OC)c(OC)c1,CI,0
COc1cc(C(=O)N2CC(O)CC2C(=O)O)cc(OC)c1OC,CI,0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1,CI,0
CNc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC1CO,CI,0
COC(=O)C1CC(O)CN1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CNc1cc(N)ccc1C(=O)N1CCCC1CO,CI,0
Nc1ccc(C(=O)N2CCCC2CO)c(N)c1,CI,0
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1CO,CI,0
CNc1ccc(N)cc1C(=O)N1CCCC1CO,CI,0
CNc1cc(Cl)ccc1C(=O)N1CCCC1CO,CI,0
CNc1ccc(Cl)cc1C(=O)N1CCCC1CO,CI,0
Cc1ccccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
Cc1cc(Cl)ccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)c(C)c1,CI,0
Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)c(Cl)c3)nc21,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc21,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3ccccc3Cl)nc21,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3cccc(Cl)c3)nc21,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)cc3)nc21,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3cc(Cl)ccc3Cl)nc21,CI,0
CCOc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1,CI,0
O=C1c2ccccc2C(=O)c2sc(Nc3ccccc3C(F)(F)F)nc21,CI,0
CCc1cccc(CC)c1Nc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
CC(C)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
CCOc1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
O=C(Cc1nc2ccccc2s1)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
O=C(Cc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1,CI,0
O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1,CI,0
CCC(C)c1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
Cc1cc(NC(=O)C(=O)Cc2nc3ccccc3s2)ccc1Cl,CI,0
O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1C(F)(F)F,CI,0
Cc1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0
Cc1ccc(C)c(NC(=O)CCC(=NNC(=O)C(=O)NN)C(C)C(=O)c2ccc(O)cc2)c1,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2C)=NNC(=O)C(N)=O)ccc1O,CI,0
O=C(CCC(CC(=O)c1ccc(Cl)cc1)=NO)Nc1ccc(Cl)c(Cl)c1,CI,0
Cc1ccc(NC(=O)CCC(CC(=O)c2ccc(F)cc2)=NNC(=O)C(=O)NN)cc1C,CI,0
Cc1ccc(NC(=O)CCC(CC(=O)c2ccc(Cl)cc2)=NNC(=O)C(=O)NN)cc1C,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)=NNC(=O)C(=O)NN)ccc1O,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)=NNC(=O)C(N)=O)ccc1O,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(N)=O)ccc1O,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)CC#N)ccc1O,CI,0
Cc1ccc(C)c(NC(=O)CCC(=NNC(=O)C(N)=O)C(C)C(=O)c2ccc(O)cc2)c1,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)C(N)=O)ccc1O,CI,0
O=C(CCC(CC(=O)c1ccc(Br)cc1)=NO)Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(CCC(CC(=O)c1ccc(Cl)cc1)=NO)Nc1cccc(Cl)c1,CI,0
O=C1C=Cc2ncccc2C1=O,CI,0
COC1=CC(=O)C(=O)c2ccc(C)nc21,CI,0
COC1=CC(=O)C(=O)c2c(C)ccnc21,CI,0
COC1=C(C)C(=O)C(=O)c2cccnc21,CI,0
COC1=C(C)C(=O)C(=O)c2ccc(C)nc21,CI,0
COC1=C(C)C(=O)C(=O)c2c(C)ccnc21,CI,0
CCC1=C(OC)c2ncccc2C(=O)C1=O,CI,0
CCC1=C(OC)c2nc(C)ccc2C(=O)C1=O,CI,0
CCC1=C(OC)c2nccc(C)c2C(=O)C1=O,CI,0
Cc1ccc2c(n1)C(N(C)C)=CC(=O)C2=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N(C)C,CI,0
CCN(CC)C1=CC(=O)C(=O)c2cccnc21,CI,0
CCC(=O)NC1=CC(=O)C(=O)c2cccnc21,CI,0
O=C(Nc1nc(-c2ccccc2)cs1)OCC(Cl)(Cl)Cl,CI,0
NC(CCc1nc(-c2ccccc2)cs1)C(=O)O,CI,0
NC(CCc1nc(-c2ccc(Cl)cc2)cs1)C(=O)O,CI,0
COc1ccccc1-c1csc(CCC(N)C(=O)O)n1,CI,0
NC(CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)O,CI,0
Br.NC(=O)C(=CNc1nc(-c2ccc(Br)cc2)cs1)C(N)=O,CI,0
Cl.NC(=O)C(=CNc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(N)=O,CI,0
Cl.NC(=O)C(=CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(N)=O,CI,0
Cc1ccc(O)c(-c2cscn2)c1,CI,0
Cc1cc(Br)c(O)c(-c2cscn2)c1,CI,0
Cc1cc(-c2cscn2)c(O)c([N+](=O)[O-])c1,CI,0
NC(=O)NNc1nc(-c2ccccc2)cs1,CI,0
O=C(NNc1nc(-c2ccccc2)cs1)C(F)(F)F,CI,0
Cc1c(CC#N)cc(C)c2c3c([nH]c12)-c1ccccc1CC3,CI,0
CN(C)CCn1c2c(c3ccccc31)CCc1ccccc1-2,CI,0
COc1ccc2c(c1)-c1[nH]c3ccccc3c1CC2,CI,0
COc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3,CI,0
COc1ccc2c(c1)c1c(n2CCN(C)C)-c2ccccc2CC1,CI,0
COc1ccc2c(c1)-c1[nH]c3ccc(OC)cc3c1CC2,CI,0
COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCCN(C)C)CC2,CI,0
COc1ccc2c(c1)CCc1c-2[nH]c2ccc(OC)cc12,CI,0
COc1ccc2c(c1)CCc1c-2n(CCN(C)C)c2ccc(OC)cc12,CI,0
COc1ccc2[nH]c3c(c2c1)CCc1c(OC)cccc1-3,CI,0
COc1ccc2c(c1)c1c(n2CCN(C)C)-c2cccc(OC)c2CC1,CI,0
COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCN(C)C)CC2,CI,0
CC(Cn1c2c(c3cc(O)ccc31)CCc1ccc(O)cc1-2)N(C)C,CI,0
O=C1CCCCC1=Cc1ccccc1,CI,0
O=C1CCCCC1=Cc1ccc(Cl)cc1,CI,0
O=C1CCCCC1=Cc1ccc(Cl)c(Cl)c1,CI,0
Cc1ccc(C=C2CCCCC2=O)cc1,CI,0
COc1ccc(C=C2CCCCC2=O)cc1,CI,0
CN(C)CC1CCCC(=Cc2ccccc2)C1=O.Cl,CI,0
Cc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1.Cl,CI,0
CN(C)CC1CCCC(=Cc2ccc(N(C)C)cc2)C1=O.Cl,CI,0
O=C1CCCCC1=Cc1ccc(Br)cc1,CI,0
O=C1CCCCC1=Cc1ccc([N+](=O)[O-])cc1,CI,0
CN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1=O.Cl,CI,0
COc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1.Cl,CI,0
CN(C)CC1CCCC(=Cc2ccc(Cl)c(Cl)c2)C1=O.Cl,CI,0
CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O,CI,0
CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)NN,CI,0
CC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O,CI,0
CCC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O,CI,0
O=C(O)C(CO)NC(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
COC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(C)C,CI,0
CCOC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(C)CC,CI,0
CN(C)CCN(C)C(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
O=C(OCc1ccccc1)N1CCC(O)C1CO,CI,0
NC(=O)CNC(=O)C1CC(O)CN1C(=O)OCc1ccccc1,CI,0
NC(=O)CNC(=O)C1CC(OCCC(=O)O)CN1C(=O)OCc1ccccc1,CI,0
O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1,CI,0
OCc1nnn(-c2ccccc2)c1CO,CI,0
CCC(C)(O)c1cn(-c2cccc(S(=O)(=O)O)c2)nn1,CI,0
CCCC(O)c1cn(-c2cccc(S(=O)(=O)O)c2)nn1,CI,0
CCC(C)(O)c1cn(-c2ccc(S(=O)(=O)O)cc2)nn1,CI,0
CCC(C)(O)c1cn(-c2ccc(Cl)cc2)nn1,CI,0
NNC(=O)c1ccc(-n2nnc(C(=O)NN)c2C(=O)NN)cc1,CM,1
Cc1ccc(-n2nnc(C#N)c2O)cc1,CI,0
Cc1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH],CI,0
CCOC(=O)c1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH],CI,0
N#Cc1nnn(-c2ccc(Br)cc2)c1O,CI,0
N#Cc1nnn(-c2ccccc2)c1O,CI,0
NC(=O)c1nnn(-c2ccccc2)c1O.[NaH],CI,0
COc1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH],CI,0
COc1cc2nncc(SCc3ccc(Cl)c(Cl)c3)c2cc1OC,CI,0
Fc1ccc2nncc(SCc3ccc(Cl)c(Cl)c3)c2c1,CI,0
Fc1ccc2nncc(SCc3ccccc3Cl)c2c1,CI,0
Fc1ccc2nncc(SCc3ccc(Cl)cc3)c2c1,CI,0
Clc1ccccc1CSc1cnnc2ccccc12,CI,0
Clc1ccc(CSc2cnnc3ccccc23)cc1,CI,0
Fc1ccc2nncc(SCc3ccccc3)c2c1,CI,0
COc1cc2nncc(SCc3ccc(Cl)cc3Cl)c2cc1OC,CI,0
COc1cc2nncc(SCc3ccccc3Cl)c2cc1OC,CI,0
COc1cc2nncc(SCc3ccc(Cl)cc3)c2cc1OC,CI,0
COc1cc2nncc(SCc3ccccc3)c2cc1OC,CI,0
Fc1cccc2c(SCc3ccc(Cl)cc3Cl)cnnc12,CI,0
Clc1ccc(CSc2cnnc3c(Br)cccc23)c(Cl)c1,CI,0
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O,CI,0
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1cc([N+](=O)[O-])c(NC(C)=O)cc1C2=O,CI,0
O=C1c2cc([N+](=O)[O-])ccc2-c2c(S)cccc21,CI,0
O=C1c2ccccc2-c2cc(S)c([N+](=O)[O-])cc21,CI,0
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,CI,0
Nc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O,CI,0
Cc1cc2c(c(C(=O)O)c1C)-c1cccc(Cl)c1C2=O,CI,0
Cc1cc2c(c(C(=O)O)c1C)-c1cccc(F)c1C2=O,CI,0
COc1cc2c(cc1OC)-c1c(cc(OC)c(OC)c1OC)C2=O,CI,0
Cc1cc2c(c(C(N)=O)c1C)-c1cccc(F)c1C2=O,CI,0
Cc1cc2c(c(C(N)=O)c1C)-c1cccc(Cl)c1C2=O,CI,0
Cc1cc2c(c(C(N)=O)c1C)-c1ccccc1C2=O,CI,0
Cc1cc2c(c(C(N)=O)c1C)-c1cc(Cl)cc(Cl)c1C2=O,CI,0
Cc1ccc(C2(C)CC(C)(C)c3ccc(C)cc3O2)c(O)c1,CI,0
OC1CC(c2ccccc2)Oc2ccccc21,CI,0
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CI,0
Oc1ccc(C2Oc3c(ccc(O)c3O)C(O)C2O)cc1O,CI,0
Oc1ccc(C2CC(O)c3ccccc3O2)cc1,CI,0
NNC(=S)NC1CC(c2ccccc2)Oc2ccccc21,CI,0
C=CCc1cc(OC)c2c(c1)C(O)CC(c1ccccc1)O2,CI,0
C=CCc1cc(OC)c2c(c1)C(O)CC(c1ccc(OC)c(OC)c1)O2,CI,0
C=CCc1cc(OC)c2c(c1)C(OC)CC(c1ccc(OC)c(OC)c1)O2,CI,0
C=CCc1cc(OC)c2c(c1)C(OC(C)=O)CC(c1ccc(OC)c(OC)c1)O2,CI,0
O=S(=O)(O)Oc1cc2c(c(OS(=O)(=O)O)c1)CC(OS(=O)(=O)O)C(c1ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c1)O2.[KH],CM,1
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,CI,0
COc1cc2c(cc1OC)OC(c1c(OC)ccc(OC)c1O)CC2,CI,0
O=C1NS(=O)(=O)c2ccccc21,CI,0
CCCC(C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O,CI,0
O=C1NS(=O)(=O)c2cc(Cl)ccc21,CI,0
O=C(O)c1ccc2c(c1)S(=O)(=O)NC2=O,CI,0
Cc1ccc2c(c1)S(=O)(=O)NC2=O,CI,0
CCCNC(=O)N1C(=O)c2ccccc2S1(=O)=O,CI,0
C#CCN1C(=O)c2ccccc2S1(=O)=O,CI,0
CCOC(=O)CCN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O,CI,0
O=C(O)CCC(=O)Nc1ccc2c(c1)S(=O)(=O)N(CC(=O)O)C2=O,CI,0
O=C(O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O,CI,0
CCOC(=O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O,CI,0
CCOC(=O)CN1C(=O)c2c(NC(=O)C(=O)O)cccc2S1(=O)=O,CI,0
CCOC(=O)CCN1C(=O)c2c(NC(=O)C(=O)O)cccc2S1(=O)=O,CI,0
Clc1ccnc2c1ccc1c(Cl)ccnc12,CI,0
c1cnc2c(c1)ccc1cccnc12,CI,0
Cc1ccc2ccc3ccc(C)nc3c2n1,CI,0
Cc1ccc2ccc3c(O)cc(C)nc3c2n1,CI,0
OCc1ccc2ccc3ccc(CO)nc3c2n1,CI,0
ClCc1ccc2ccc3ccc(CCl)nc3c2n1,CI,0
BrCc1ccc2ccc3ccc(CBr)nc3c2n1,CI,0
Cc1ccc2cc(NC(=O)CBr)c3ccc(C)nc3c2n1,CI,0
CC(=O)Nc1cc2ccc(C)nc2c2nc(C)ccc12,CI,0
Cc1ccc2cc(N)c3ccc(C)nc3c2n1,CI,0
Cc1nc2c(ccc3c(C)c(C)c(C)nc32)c(C)c1C,CI,0
Cc1ccc2cc(NC(=O)CN)c3ccc(C)nc3c2n1,CI,0
Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1,CI,0
Cc1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1,CI,0
O=c1c2cccnc2sn1-c1ccc(Br)cc1,CI,0
O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc(Br)cc1,CI,0
O=c1c2cccnc2sn1-c1ccc([N+](=O)[O-])cc1,CI,0
O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(-n2sc3ncccc3c2=O)cc1,CM,1
COc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1,CM,1
CCCCc1ccc(-n2sc3ncccc3c2=O)cc1,CM,1
CCCCc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1,CM,1
Cc1cnc2sn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2c1,CM,1
COc1ccc(-n2sc3ncc(C)cc3c2=O)cc1,CM,1
CCCCc1ccc(-n2sc3ncc(C)cc3c2=O)cc1,CA,1
Cc1cc(-c2c(Br)cc(C(=O)O)n2C)on1,CI,0
CCOC(=O)c1cc(I)c(-c2cc(C)no2)n1C,CI,0
Cc1cc(-c2ccc(C(=O)C(Cl)(Cl)Cl)[nH]2)on1,CI,0
CCOC(=O)c1cc(Br)c(-c2cc(C)no2)[nH]1,CI,0
CCOC(=O)c1ccc(-c2cc(C)no2)[nH]1,CI,0
Cc1cc(-c2[nH]c(C(=O)O)cc2I)on1,CI,0
Cc1noc(-c2ccc(C(=O)O)[nH]2)c1Br,CI,0
Cc1cc(-c2ccc(C(=O)O)[nH]2)on1,CI,0
Cc1cc(-c2ccc[nH]2)on1,CI,0
CCOC(=O)c1ccc(-c2onc(C)c2Br)[nH]1,CI,0
CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)[nH]1,CI,0
CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)n1C,CI,0
O=C1CCCCCC1=Cc1ccccc1,CI,0
COc1ccc(C=C2CCCCCC2=O)cc1,CI,0
COc1cccc(C=C2CCCCCC2=O)c1,CI,0
Cc1ccc(C=C2CCCCCC2=O)cc1,CI,0
Cc1cccc(C=C2CCCCCC2=O)c1,CI,0
O=C1CCCCCC1=Cc1ccc(Cl)cc1,CI,0
O=C1CCCCCC1=Cc1cccc(Cl)c1,CI,0
O=C1CCCCCC1=Cc1ccc(F)cc1,CI,0
O=C1CCCCCC1=Cc1cccc(F)c1,CI,0
O=C1CCCCCC1=Cc1ccc([N+](=O)[O-])cc1,CI,0
O=C1CCCCCC1=Cc1cccc([N+](=O)[O-])c1,CI,0
CN(C)c1ccc(C=C2CCCCCC2=O)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccccc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(C)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(OC)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(Cl)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccccc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccc(C)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccc(OC)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccccc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccc(OC)cc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccccc1,CI,0
C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccc(OC)cc1,CI,0
COc1ccc(C=C2N=C(SC)NC2=O)cc1,CI,0
CSC1=NC(=Cc2ccc(C)cc2)C(=O)N1,CI,0
O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccccc1,CI,0
Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1,CI,0
COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1,CI,0
O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1,CI,0
O=C1NC(NN=CC(O)C(O)C(O)CO)=NC1=Cc1ccccc1,CI,0
Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O)cc1,CI,0
COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O)cc1,CI,0
O=C1NC(NN=CC(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1,CI,0
CCSC1=NC(=Cc2ccccc2O)C(=O)N1,CI,0
NNC1=NC(=Cc2ccccc2O)C(=O)N1,CI,0
Cc1ccsc1C=NNc1ccc2ccccc2n1,CI,0
Cc1ccsc1C=NNc1cc(C)c2ccccc2n1,CI,0
Cc1ccc2nc(NN=Cc3sccc3C)cc(C)c2c1,CI,0
Cc1ccsc1C=NNc1cc(C)c2cccc(C)c2n1,CI,0
COc1ccc2nc(NN=Cc3sccc3C)cc(C)c2c1,CI,0
COc1ccc2c(C)cc(NN=Cc3sccc3C)nc2c1,CI,0
Cc1ccc(C=NNc2ccc3ccccc3n2)s1,CI,0
Cc1ccc(C=NNc2cc(C)c3ccccc3n2)s1,CI,0
Cc1ccc2nc(NN=Cc3ccc(C)s3)cc(C)c2c1,CI,0
Cc1ccc(C=NNc2cc(C)c3cccc(C)c3n2)s1,CI,0
COc1ccc2nc(NN=Cc3ccc(C)s3)cc(C)c2c1,CI,0
COc1ccc2c(C)cc(NN=Cc3ccc(C)s3)nc2c1,CI,0
C1CNCCNCCN1,CI,0
CNC(=O)N1CCN(C(=O)NC)CCN(C(=O)NC)CC1,CI,0
O=C(O)CN1CCNCCNCC1,CI,0
CC(C)(C)OC(=O)CN1CCNCCNCC1,CI,0
CCOP(=O)(CN1CCNCCN(CP(=O)(OCC)OCC)CC1)OCC,CI,0
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1,CI,0
O=C(O)CN1CCNCCN(CC(=O)O)CC1,CI,0
CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CC1,CI,0
O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CC1,CI,0
CCOP(=O)(CN1CCNCCNCC1)OCC,CI,0
O=C(O)CCN1CCN(CCC(=O)O)CCN(CCC(=O)O)CC1,CI,0
O=C(O)CN1CCNCCN(CP(=O)(O)O)CC1,CI,0
Cl.Nc1nccc(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
Nc1ncc(Cl)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
N#Cc1cnc(N)nc1NCC1(CO)CC(CCc2ccccc2)C1,CI,0
CC(=O)OCC1(CNc2nc(N)ncc2C#N)CC(CCc2ccccc2)C1,CI,0
Cl.Nc1ncc(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
Nc1ncc(C=NO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
CC(O)C1(CNc2cc(Cl)nc(N)n2)CC(CCc2ccccc2)C1,CI,0
Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)c(C=O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)c(CO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
Nc1nc(O)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0
CCCCCC(=Nc1nn[nH]c1C(N)=O)OCC,CI,0
CCCCCC(=O)Nc1nn[nH]c1C(N)=O,CI,0
CCCCCC(=O)Nc1nn[nH]c1C#N,CI,0
CCCCCOC(=O)C(=O)Nc1nn[nH]c1C(N)=O,CI,0
CCOP(=O)(OCC)C(NC(=O)OCC(Cl)(Cl)Cl)n1nnc(C(=O)OC)c1C(=O)OC,CI,0
NNC(=O)c1nn[nH]c1C(=O)NN,CI,0
NNC(=O)Cn1ccnn1,CI,0
O=C(O)c1nn[nH]c1Cl,CI,0
NNC(=O)c1nnn(N)c1S,CI,0
CCOC(=O)Nc1nn[nH]c1Cl,CI,0
O=C(O)c1nn[nH]c1S,CI,0
CNC(=O)c1nn[nH]c1O.[NaH],CI,0
CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C,CI,0
CC(=O)OCC1OC(n2c(C)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCc1c(C)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,CI,0
Cc1c(C)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
CC(=O)OCC1OC(n2c(C)cc(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1cc(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
CC(=O)OCC1OC(n2c(C)c(C)cc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1cc(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,CI,0
Cc1c(C#N)c(N)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
CC(=O)OCC1OC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1
CC(=O)OC1COC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1c(C#N)c(N)n(C2OCC(O)C(O)C2O)c(=S)c1C#N,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(=NCCN(C)C)c2c1,CI,0
CCN(CC)CCN=c1c2cc(OC)ccc2[nH]c2c([N+](=O)[O-])ccc(NCCN(CC)CC)c12,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(=NCCCN(C)C)c2c1,CI,0
CCN(CC)CCCN=c1c2cc(OC)ccc2[nH]c2c([N+](=O)[O-])ccc(NCCCN(CC)CC)c12,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(=N)c2c1,CI,0
CCN(CC)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(OC)cc3c(=N)c12,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(=N)c2c1,CI,0
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(OC)cc3c(=N)c12,CI,0
CN(C)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12,CI,0
CCN(CC)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12,CI,0
CN(C)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12,CI,0
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12,CI,0
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1)SC(=N)N2,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1O)SC(=N)N2,CM,1
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc1,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(O)cc1)SC(=N)N2,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2,CM,1
COc1cccc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)c1,CM,1
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc(OC)c1OC,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(N(C)C)cc1)SC(=N)N2,CM,1
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(O)cc1O)SC(=N)N2,CM,1
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)ccc1O,CM,1
O=C1C(Cl)N(c2ccccc2)C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2ccccc2Cl)C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2cccc(Cl)c2)C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2ccc(Cl)cc2)C1c1c[nH]c2ccccc12,CI,0
COc1ccccc1N1C(Cl)C(=O)C1c1c[nH]c2ccccc12,CI,0
COc1cccc(N2C(Cl)C(=O)C2c2c[nH]c3ccccc23)c1,CI,0
COc1ccc(N2C(Cl)C(=O)C2c2c[nH]c3ccccc23)cc1,CI,0
O=C1C(Cl)N(c2ccccc2[N+](=O)[O-])C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2cccc([N+](=O)[O-])c2)C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2ccc([N+](=O)[O-])cc2)C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2c(Cl)cccc2Cl)C1c1c[nH]c2ccccc12,CI,0
O=C1C(Cl)N(c2ccc(Cl)cc2Cl)C1c1c[nH]c2ccccc12,CI,0
O=C(O)CSc1nnc(COc2ccccc2)n1-c1ccccc1,CI,0
COc1ccccc1OCc1nnc(SCC(=O)O)n1-c1ccccc1,CI,0
CCOC(=O)C(C)Sc1nnc(COc2ccccc2OC)n1-c1ccccc1,CI,0
CCOC(=O)C(C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
NNC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COC(=O)CNC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COC(=O)C(NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(C)C,CI,0
O=C(O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COC(=O)C(NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(C)C,CI,0
O=C(O)CCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COC(=O)CNC(=O)CCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COc1ccc(C2Oc3ccc(O)cc3C2C)cc1OC,CI,0
COc1ccc(C2Oc3cc(OC)c(O)cc3C2C)cc1,CI,0
COc1cc2c(cc1O)C(C)C(c1ccccc1OC)O2,CI,0
COc1cc2c(cc1O)C(C)C(c1ccc(OC)c(OC)c1)O2,CI,0
COc1cc2c(cc1O)C(C)C(c1ccc(Cl)cc1)O2,CI,0
COc1ccc(C2Oc3cc(OC)c(O)c(C)c3C2C)cc1,CI,0
COc1ccc(C2Oc3c(cc(O)c(OC)c3C)C2C)cc1OC,CI,0
COc1ccc(C2Oc3cc(OC)c(OC)cc3C2CCl)cc1OC,CI,0
COCOc1ccc(C2(O)Oc3cc(OCOC)ccc3C2C)c(O)c1,CI,0
COc1cc(C2Oc3c(OC)cc(C=CC(N)=O)cc3C2C(N)=O)ccc1O,CI,0
COC(=O)C=Cc1cc(OC)c2c(c1)C(C(=O)OC)C(c1ccc(O)c(OC)c1)O2,CI,0
COc1cc(C2Oc3c(OC)cc(C=CC(=O)O)cc3C2C(=O)O)ccc1O,CM,1
CC[Sn](CC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)O[Sn](CC)(CC)OC(=O)c1cc(OC)c(OC)c(OC)c1,CI,0
CCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c1ccc(OC)c(OC)c1OC,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)O[Sn](CCCC)(CCCC)OC(=O)c1cc(OC)c(OC)cc1OC,CI,0
CC[Sn](CC)(OC(=O)c1ccccc1F)O[Sn](CC)(CC)OC(=O)c1ccccc1F,CI,0
CC[Sn](CC)(OC(=O)c1cccc(F)c1)O[Sn](CC)(CC)OC(=O)c1cccc(F)c1,CI,0
CC[Sn](CC)(OC(=O)c1ccc(F)cc1)O[Sn](CC)(CC)OC(=O)c1ccc(F)cc1,CI,0
CC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c1c(F)cccc1F,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c1cccc(F)c1F,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)O[Sn](CCCC)(CCCC)OC(=O)c1cc(F)cc(F)c1,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)O[Sn](CCCC)(CCCC)OC(=O)c1cc(F)ccc1F,CI,0
CC[Sn](CC)(OC(=O)c1ccccc1OC)O[Sn](CC)(CC)OC(=O)c1ccccc1OC,CI,0
CC[Sn](CC)(OC(=O)c1cccc(OC)c1)O[Sn](CC)(CC)OC(=O)c1cccc(OC)c1,CI,0
Cc1cccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)c1,CI,0
CCOC(=O)c1ccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=Nc1ccc(C(=O)O)cc1,CI,0
COc1ccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=Nc1cccc(C(=O)O)c1,CI,0
COC(=O)c1ccccc1N=Cc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1,CI,0
COc1ccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2)cc1,CI,0
N#CCCN(c1ccc(C=Nc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1,CI,0
N#CCCN(c1ccc(C=Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1,CI,0
Cc1ccccc1N=Cc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1,CI,0
N#CCCN(c1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1,CI,0
N#CCCN(c1ccc(C=Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1,CI,0
O=C1C2ON(c3ccccc3)C(c3ccccc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5)C4C3=O)cc2)cc1,CI,0
Cc1cc(C)c(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8c(C)cc(C)cc8C)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)c(C)c1,CI,0
COc1ccc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8ccc(OC)cc8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1,CI,0
O=C1C2ON(c3ccccc3)C(c3cccc([N+](=O)[O-])c3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5cccc([N+](=O)[O-])c5)C4C3=O)cc2)cc1,CI,0
O=C1C2ON(c3ccccc3)C(c3ccc([N+](=O)[O-])cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc([N+](=O)[O-])cc5)C4C3=O)cc2)cc1,CI,0
O=C1C2ON(c3ccccc3)C(c3ccc(Cl)cc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc(Cl)cc5Cl)C4C3=O)cc2)cc1,CI,0
Cc1ccc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8ccc(C)cc8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1,CI,0
O=C1C2ON(c3ccccc3)C(c3ccccc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5Cl)C4C3=O)cc2)cc1,CI,0
O=C1C2ON(c3ccccc3)C(c3ccc(Cl)cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc(Cl)cc5)C4C3=O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8ccc(NC(C)=O)cc8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1,CI,0
COc1cc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8cc(OC)c(OC)c(OC)c8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc(OC)c1OC,CI,0
O=C1C2ON(c3ccccc3)C(c3ccccc3F)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5F)C4C3=O)cc2)cc1,CI,0
O=C1CCC2(c3ccccc3)Nc3ccccc3N12,CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3ccccc3N12,CI,0
O=C1CCC2(c3ccc(F)cc3)Nc3ccccc3N12,CI,0
O=C1CCC2(c3ccccc3)Nc3cc(Cl)ccc3N12,CI,0
O=C1CCC2(c3ccccc3)Nc3ccc(Cl)cc3N12,CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3cc(Cl)ccc3N12,CI,0
O=C1CCC2(c3ccc(F)cc3)Nc3cc(Cl)ccc3N12,CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3ccc(Cl)cc3N12,CI,0
O=C1CCC2(c3ccc(F)cc3)Nc3ccc(Cl)cc3N12,CI,0
O=C1CCC2(c3ccccc3)Nc3cc([N+](=O)[O-])ccc3N12,CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3cc([N+](=O)[O-])ccc3N12,CI,0
O=C1CCC2(c3ccc(F)cc3)Nc3cc([N+](=O)[O-])ccc3N12,CI,0
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3)cc2)c(O)c2ncccc12.[NaH],CM,1
Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccnc12.[NaH],CI,0
O=C(O)c1cc(O)c2ccc(N=Nc3ccc(C=Cc4ccc(N=Nc5ccc6c(O)cc(C(=O)O)nc6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c2n1.[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[Cu].[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[MgH2].[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH].[Zn],CA,1
C[N+](C)(C)C.O=S(=O)([O-])c1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)[O-])c3cccnc3c2O)cc1S(=O)(=O)[O-],CA,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[LiH],CA,1
C[N+](C)(C)C.O=S(O)(=[OH+])c1cc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)cc1S(=O)(O)=[OH+],CA,1
CCC[N+](CCC)(CCC)CCC.O=S(O)(=[OH+])c1cc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O)cc1S(=O)(O)=[OH+],CA,1
O=C(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1C(=O)O.[NaH],CA,1
O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O,CI,0
NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CI,0
O=C1C=C(Nc2cc(Cl)ccc2Cl)c2ccccc2C1=O,CI,0
Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CI,0
CCc1cccc(CC)c1NC1=CC(=O)C(=O)c2ccccc21,CI,0
Cc1cc(Br)ccc1NC1=CC(=O)C(=O)c2ccccc21,CI,0
CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CI,0
O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccc(Cl)cc2Cl)c2ccccc2C1=O,CI,0
CC(C)c1cccc(C(C)C)c1NC1=CC(=O)C(=O)c2ccccc21,CI,0
NC(=O)C(=O)CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21,CI,0
CCOC(=O)Cc1csc(Nc2ccc(OCC)cc2)n1,CI,0
CCOC(=O)c1sc(Nc2cc(Cl)ccc2Cl)nc1C,CI,0
CCOC(=O)Cc1csc(Nc2ccccc2[N+](=O)[O-])n1,CI,0
Cc1nc(Nc2ccccc2)sc1C(=O)NNC(N)=O,CI,0
Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=S)NN,CI,0
Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(=O)NN,CI,0
COc1ccc(Nc2nc(C#N)c(N)s2)cc1,CI,0
N#Cc1nc(Nc2ccc(Cl)cc2)sc1N,CI,0
N#Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1N,CI,0
Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(N)=O,CI,0
CC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1C,CI,0
Nc1nc(Nc2ccccc2)sc1O,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2,CI,0
CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)CCC2,CI,0
CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCC4)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCC4)CCC2,CI,0
O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCC4)CCC2,CI,0
OCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(CO)c3C1)CCC4)CCC2,CI,0
CC(O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)O)c3C1)CCC4)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C)c4C1)CCC5)C3)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCC5)C3)CCC2,CI,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2,CI,0
COC(O)C(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2,CI,0
O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1ccc(Cl)cc1,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0
CCc1cccc(C)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0
O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1cccc(Cl)c1,CI,0
O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1ccccc1,CI,0
CCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)cc1,CI,0
Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)c(C)c1,CI,0
Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)cc1C,CI,0
O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1cc(Cl)ccc1Cl,CI,0
CCOc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0
Cc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0
CCc1cccc(C(C)CC)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0
CCOC(=O)C(CCCCn1cnc2ncnc(Cl)c21)(NC(C)=O)C(=O)OCC,CI,0
Nc1nc(O)c2c(ncn2COC(CO)CO)n1,CI,0
Nc1ncc2c(ncn2CCO)n1,CI,0
Nc1ncc2c(ncn2CC(O)CO)n1,CI,0
C#CCOCn1cnc2ncnc(N)c21,CI,0
C#CCOCn1cnc2ncnc(Cl)c21,CI,0
Nc1nc(O)c2c(ncn2CCO)n1,CI,0
Nc1nc(S)c2c(ncn2CCO)n1,CI,0
Nc1nc(O)c2c(ncn2CC(O)CO)n1,CI,0
Nc1nc(S)c2c(ncn2CC(O)CO)n1,CM,1
CC(=CCNc1nc(Cl)nc2nc[nH]c12)CO,CI,0
CC(=CCNc1ncnc2nc(Cl)[nH]c12)CO,CI,0
C=C(CN(C)C)C(=O)c1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
Cc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1,CI,0
CCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CCCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CCCCCCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CCCCCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
CCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
CCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
CCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.ClC(Cl)Cl,CI,0
CCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.ClC(Cl)Cl,CI,0
CCCCCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.ClC(Cl)Cl,CI,0
COc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
COc1ccc(NC(S)=C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)cc1,CI,0
Cc1ccc(C(=O)C(=C(S)Nc2cccc(C)c2)[n+]2ccccc2)cc1,CI,0
COc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)cc1,CI,0
COc1cccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c1,CI,0
COc1cccc(NC(S)=C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)c1,CI,0
CC(C)c1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(S)Nc2cccc(Cl)c2)cc1,CI,0
Cc1ccc(C(=O)C(=C(S)Nc2ccccc2)[n+]2ccccc2)cc1,CI,0
Cc1ccc(C(=O)C(=C(S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1,CI,0
Cc1ccc(C(=O)C(=C(S)Nc2cccc(Cl)c2)[n+]2ccccc2)cc1,CI,0
Cc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c(C)c1,CI,0
Cc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c(C)c1,CI,0
COc1cccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1,CI,0
COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O,CI,0
COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1O,CI,0
CCOc1cc2c(cc1OC)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[ClH2+],CI,0
COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4c[n+](C)c3c2cc1OC.[Cl-],CI,0
COc1cc2c[n+](C)c3c4cc(OC)c(OC(C)C)cc4ccc3c2cc1OC.[Cl-],CI,0
COc1ccc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2c1.CS(=O)(O)=[OH+],CI,0
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.CS(=O)(O)=[OH+],CI,0
COC[n+]1cc2cc(OC)c(OC)cc2c2ccc3cc(OC)c(OC)cc3c21.[Cl-],CI,0
CCOc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC.[Cl-],CI,0
COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c([O-])[n+](C)c3c2cc1OC,CI,0
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[I-],CI,0
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[Cl-],CI,0
C=C(C)C(C)(C)n1[nH]c(=O)n(-c2ccccc2)c1=O,CI,0
O=C(n1c(=O)n(-c2ccc(Cl)cc2)c(=O)n1C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,CI,0
CC(=O)n1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O,CI,0
CC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O,CI,0
CCCC(=O)n1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O,CI,0
CCCCCC(=O)n1[nH]c(=O)n(-c2ccc(OC)cc2)c1=O,CI,0
O=C(n1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1=O)C(Cl)(Cl)Cl,CI,0
CCOC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O,CI,0
CCC(=O)n1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(=O)CC,CI,0
O=C(n1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,CI,0
COc1ccc(-n2c(=O)[nH]n(C(C)=O)c2=O)cc1,CI,0
COC(=O)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)OC,CI,0
CC(=O)OC1CCC2(C)C(C)C(C)CCC2(O)C1O,CI,0
CC(C)(C)COC(=O)NC1CCC2CCCCC2C1,CI,0
CC(C)(O)C1CCC2(C)CCCC(O)C2C1,CI,0
CC12CCCC(O)C1CC(CO)CC2,CI,0
CC12CCCCC1(O)CC(C(=O)O)CC2,CI,0
CC(C)(O)C1CCC2(C)CCCC(O)C2(O)C1,CI,0
C=C(C)C1CCC2(C)C(O)CCC(C)C2C1,CI,0
CC12CCCC(OC=O)C1(O)CC(C(=O)O)CC2,CI,0
CC12CCCC(Cl)C1(O)CC(C(=O)O)CC2,CI,0
O=C(O)C12CCCCC1CCCC2,CI,0
CCCCCCC1CCC2C(CCC(O)C2CO)C1,CI,0
C=C(C(=O)O)C1CCC2(C)CCCC(C)(O)C2C1,CI,0
CCC1(C)CC(=O)NC1=O,CI,0
CCOC(=O)C(=C(C)N)C1CC(=O)NC1=O,CI,0
C[Si](C)(C)C(Br)=CCCN1C(=O)CCC1=O,CI,0
C=CCCCN1C(=O)CCC1=O,CI,0
C#CCNC(=O)ON1C(=O)CCC1=O,CI,0
C=CCNC(=O)ON1C(=O)CCC1=O,CI,0
C=CCN(N=O)C(=O)ON1C(=O)CCC1=O,CI,0
C#CCN(N=O)C(=O)ON1C(=O)CCC1=O,CI,0
CN(N=O)C(=O)ON1C(=O)CCC1=O,CI,0
CC1(SCC(N)C(=O)O)CC(=O)NC1=O,CI,0
CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)ON1C(=O)CCC1=O,CI,0
CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O,CI,0
c1ccc2nc3c(nc2c1)[nH]c1ccccc13,CI,0
Clc1cc(Cl)c2c(c1)[nH]c1nc3ccccc3nc12,CI,0
Cc1cc2nc3[nH]c4ccccc4c3nc2cc1C,CI,0
Cc1ccc2[nH]c3nc4cc(C)c(C)cc4nc3c2c1,CI,0
Cn1c2ccccc2c2nc3ccccc3nc21,CI,0
Clc1cc2nc3[nH]c4ccccc4c3nc2cc1Cl,CI,0
Cc1cc2nc3c4ccccc4n(C)c3nc2cc1C,CI,0
O=[N+]([O-])c1cc(Br)cc2c1[nH]c1nc3ccc(C(F)(F)F)cc3nc12,CI,0
CC(=O)n1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
CCOC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
CCCCNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
NNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,CI,0
O=C(Oc1ccccc1C(=O)O)c1ccccc1O,CI,0
O=C(Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1,CI,0
CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)cc(O)c1C(=O)O,CI,0
CCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCC)cc(O)c1C(=O)O,CI,0
CCCCCCCc1cc(OC(=O)c2c(C)cc(OC)cc2O)cc(O)c1C(=O)O,CI,0
Cc1ccc(C(=O)Oc2ccccc2)cc1N=NN(C)C,CI,0
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,CI,0
COCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)OC)c(OCOC)c2C)c(OCOC)c1C=O,CI,0
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=NO)c2O)c(C)c1O,CI,0
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,CI,0
COCOc1cc(OCOC)cc(C(=O)Oc2ccccc2)c1,CI,0
COc1cccc(C2(C#N)CCN(C)CC2)c1,CI,0
COc1cc(OC)cc(C2(C#N)CCN(C)CC2)c1,CI,0
CCOC(=O)C1(c2ccc(O)c(O)c2)CCN(C)CC1,CI,0
COc1cc(C2(C#N)CCN(C)CC2)cc(OC)c1OC,CI,0
CCC(=O)C1(c2cccc(OC)c2)CCN(C)CC1,CI,0
COc1cc(OC)cc(C2(C(=O)O)CCN(C)CC2)c1,CI,0
N#CC1(c2ccccc2)CCNCC1,CI,0
N=C(N)NN=Cc1ccc(C2CCNCC2)cc1,CI,0
C=CCN1CCC(C(=O)CC)(c2ccccc2)CC1,CI,0
CN1CCC(c2ccccc2)C(O)C1,CI,0
CCC(=O)C1(c2ccccc2)CCN(C)CC1,CI,0
CCOC(=O)OC1(c2ccccc2)CCN(C)CC1,CI,0
COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1cc(C=C2C(=O)N(c3ccccc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1cc(C=C2C(=O)N(c3ccccc3Cl)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1cc(C=C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)C1c1ccccc1,CI,0
COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S(=O)(=O)C2c2ccccc2)cc1,CI,0
COc1cc(C=C2C(=O)N(c3ccc(NC(C)=O)cc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1cc(C=C2C(=O)N(c3cccc(NC(C)=O)c3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)C1c1ccccc1,CI,0
COc1cc(C=C2C(=O)N(c3cc(Cl)ccc3Cl)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1cccc(Cl)c1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1Cl,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccc(Cl)cc1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1,CI,0
CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2c2ccccc2)c1,CI,0
COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1c1ccccc1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1cc(Cl)ccc1Cl,CI,0
COc1ccccc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1c1ccccc1,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3ccccc3Cl)C2=O)cc(OC)c1OC,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC,CI,0
COc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1c1ccccc1,CI,0
COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2c2ccccc2)cc1,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1OC,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3cccc(NC(C)=O)c3)C2=O)cc(OC)c1OC,CI,0
COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1c1ccccc1,CI,0
COc1cc(C=C2SC(c3ccccc3)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC,CI,0
O=C1c2cccnc2S(=O)(=O)N1c1ccc(Br)cc1,CI,0
Cc1cnc2c(c1)C(=O)N(c1ccc(Br)cc1)S2(=O)=O,CI,0
O=C1c2cc([N+](=O)[O-])cnc2S(=O)(=O)N1c1ccc(Br)cc1,CI,0
Cc1cnc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)S2(=O)=O,CI,0
O=C1c2cccnc2S(=O)(=O)N1c1ccc([N+](=O)[O-])cc1,CI,0
CCCCc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1,CI,0
COc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1,CI,0
COc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1,CI,0
CCCCc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1,CI,0
COc1ccc(N2C(=O)c3cccnc3S2(=O)=O)cc1,CI,0
CCCCc1ccc(N2C(=O)c3cccnc3S2(=O)=O)cc1,CI,0
CC(C)n1c(=O)[nH]n(-c2ccccc2)c1=O,CI,0
CC(C)n1c(=O)n(-c2ccccc2)n(C(C)(C)C)c1=O,CI,0
CC(C)(C)n1c(=O)n(-c2ccccc2)n(C(C)(C)C)c1=O,CI,0
Cc1c(C)c(C)c(-n2[nH]c(=O)n(C)c2=O)c(C)c1C,CI,0
COc1ccc(-n2[nH]c(=O)n(C)c2=O)cc1,CI,0
CC(=O)Nc1ccc(-n2[nH]c(=O)n(C)c2=O)cc1,CI,0
Cc1cc(C)c(C)c(-n2[nH]c(=O)n(C)c2=O)c1C,CI,0
Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2C(C)(C)C)c(C)c1C,CI,0
Cc1cc(C)c(-n2[nH]c(=O)n(C)c2=O)c(C)c1,CI,0
COc1ccccc1-n1c(=O)n(C)c(=O)n1C(C)(C)C,CI,0
COc1cc(OC)c(-n2[nH]c(=O)n(C)c2=O)c(OC)c1,CI,0
CC(=O)O.Cc1ccc(C2=Nc3c(N)nc(N)nc3NC(c3ccccc3)C2)cc1,CI,0
Nc1ncnc2c1N=C(c1ccccc1)CC(c1ccccc1)N2,CI,0
Cc1ccc(C2=Nc3c(N)nc(N)nc3NC(c3ccccc3)C2)cc1,CI,0
COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccccc1)=N2,CI,0
CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccccc1)=N2,CI,0
COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc(Cl)cc1)=N2,CI,0
CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc(Cl)cc1)=N2,CI,0
COc1ccc(C2=Nc3c(O)nc(OC)nc3NC(c3ccccc3)C2)cc1,CI,0
COc1ccc(C2=Nc3c(O)nc(SC)nc3NC(c3ccccc3)C2)cc1,CI,0
COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc([N+](=O)[O-])cc1)=N2,CI,0
CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc([N+](=O)[O-])cc1)=N2,CI,0
Cc1ccc(-c2n[nH]c(=O)n2N)cc1,CI,0
Nn1c(-c2ccccc2)n[nH]c1=O,CI,0
CNn1c(-c2ccccc2)n[nH]c1=O,CM,1
O=c1[nH]nc(-c2ccccc2)n1O,CI,0
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1,CI,0
O=c1[nH]nc(-c2cccc(Br)c2)[nH]1,CI,0
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)[nH]1,CI,0
O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)[nH]1,CI,0
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-],CI,0
CNn1c(-c2ccc(C)cc2)n[nH]c1=O,CM,1
CC(=O)N(C(C)=O)n1c(-c2ccccc2)n[nH]c1=O,CI,0
CCc1n[nH]c(=O)n1N,CI,0
CNn1c(C)n[nH]c1=O,CI,0
C=O.NNCCc1n[nH]c(=O)n1N,CI,0
CC=Nn1c(C)n[nH]c1=O,CI,0
CCc1n[nH]c(=O)[nH]1,CI,0
CCc1n[nH]c(=O)n1O,CI,0
CCc1n[nH]c(=O)n1CC,CI,0
CCc1n[nH]c(=O)n1NC(=O)CCCC(=O)O,CI,0
CCc1n[nH]c(=O)n1NC(=O)C=CC(=O)O,CI,0
CCc1n[nH]c(=O)n1CCO,CI,0
CC(C)Nc1n[nH]c(=O)n1C(C)C,CI,0
CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(F)(F)F)cc2)n1,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F,CI,0
CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC(C)C)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F,CI,0
CC(C)CC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(=O)OCC)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(=O)OCC)C(F)(F)F,CI,0
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,CI,0
CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc(OC)cc1,CM,1
COc1ccc(C(=O)Nc2sc(SC)nc2C(N)=O)cc1,CI,0
CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc(Cl)cc1,CI,0
CCOC(=O)c1nc(SC)sc1NC(=O)c1ccccc1[N+](=O)[O-],CI,0
CCOC(=O)c1nc(SC)sc1NC(=O)c1ccccc1N,CI,0
CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CSc1nc(C(N)=O)c(NC(=O)c2ccccc2)s1,CI,0
CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)c1nc(SC)sc1NC(=O)c1ccccc1Cl,CI,0
CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccccc1,CI,0
CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccc(OC)cc1,CI,0
COC(=NN=Cc1ccccc1F)c1ccncc1,CI,0
COC(=NN=Cc1cccc(Cl)c1)c1ccncc1,CI,0
COC(=NN=Cc1ccc(Cl)cc1)c1ccncc1,CI,0
COC(=NN=Cc1cccc(C(F)(F)F)c1)c1ccncc1,CI,0
COC(=NN=Cc1ccc(C(F)(F)F)cc1)c1ccncc1,CI,0
COC(=NN=Cc1ccc(Cl)cc1Cl)c1ccncc1,CI,0
COC(=NN=Cc1ccc(Cl)c(Cl)c1)c1ccncc1,CI,0
COC(=NN=Cc1ccc(OC)cc1OC)c1ccncc1,CI,0
COC(=NN=Cc1cc(OC)ccc1OC)c1ccncc1,CI,0
COC(=NN=Cc1ccc(OC)c(OC)c1)c1ccncc1,CI,0
COC(=NN=C(c1ccccc1)C(F)(F)F)c1ccncc1,CI,0
Oc1ncnc2c1sc(=S)n2-c1ccccc1,CI,0
S=c1sc2c(Cl)ncnc2n1-c1ccccc1,CI,0
[N-]=[N+]=Nc1ncnc2c1sc(=S)n2-c1ccccc1,CI,0
Nc1ncnc2c1sc(=S)n2-c1ccccc1,CI,0
OCCN(CCO)c1ncnc2c1sc(=S)n2-c1ccccc1,CI,0
Oc1nc(S)nc2c1sc(=S)n2-c1ccccc1,CI,0
S=c1sc2c(S)nc(S)nc2n1-c1ccccc1,CI,0
S=c1sc2c(Cl)nc(Cl)nc2n1-c1ccccc1,CI,0
Cc1nc(O)c2sc(=S)n(-c3ccccc3)c2n1,CI,0
Cc1nc(N(CCO)CCO)c2sc(=S)n(-c3ccccc3)c2n1,CI,0
Cc1nc(SCC(N)=O)c2sc(=S)n(-c3ccccc3)c2n1,CI,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)CC2C)CC1,CI,0
CC1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(CCCCN(C)C)CC1,CI,0
CC1CC(=O)Nc2ccc(Cl)cc2N1C(=O)CN1CCC(CCCCN(C)C)CC1,CI,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3cc(Cl)ccc3NC(=O)CC2C)CC1,CI,0
CCN(CC)CC1CCCCN1CC(=O)N1CC(C)C(=O)Nc2ccccc21,CM,1
CC1CN(C(=O)CN2CCC(CCCCN(C)C)CC2)c2ccccc2NC1=O,CI,0
CCN(CC)CCCCC1CCN(CC(=O)N2CC(C)C(=O)Nc3ccccc32)CC1,CI,0
CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)CC1C,CM,1
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)CC1C,CM,1
CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)CC1C,CI,0
CCN(CC)CCC1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)CC1C,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c1cc(OC)c(OC)c(OC)c1,CI,0
CC[Sn](CC)(OC(=O)c1ccc(OC)c(OC)c1OC)OC(=O)c1ccc(OC)c(OC)c1OC,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)OC(=O)c1cc(OC)c(OC)cc1OC,CI,0
CC[Sn](CC)(OC(=O)c1ccccc1F)OC(=O)c1ccccc1F,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1)OC(=O)c1cccc(F)c1,CI,0
CC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1,CI,0
CCCC[Sn](CCCC)(OC(=O)c1c(F)cccc1F)OC(=O)c1c(F)cccc1F,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c1cccc(F)c1F,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)OC(=O)c1cc(F)cc(F)c1,CI,0
CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)OC(=O)c1cc(F)ccc1F,CI,0
CCCC[Sn](CCCC)(OC(=O)c1ccc(C)c(N)c1)OC(=O)c1ccc(C)c(N)c1,CI,0
N#CCCN(CCC#N)c1ccc(C=C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Nc2ccccc2)cc1,CI,0
COc1ccc(NC(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1OC,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(C(=O)NCCCO)c2)cc1,CI,0
O=C(Nc1cccc(C(=O)NCCCO)c1)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
NNC(=O)c1ccccc1NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
NNC(=O)c1ccccc1NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
O=C(Nc1ccccc1C(=O)NCCCO)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
O=C(Nc1ccccc1C(=O)O)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
O=C(Nc1ccccc1C(=O)O)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)O)cc1,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=N)N)s1,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=S)NN)s1,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=O)C[N+](C)(C)C)s1.[Cl-],CI,0
COc1cc(C=CC(=NNC(N)=S)c2sc(NNC(C)=O)nc2C)ccc1O,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc([N+](=O)[O-])cc2)=NN)s1,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccccc2O)=NNC(=N)N)s1,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2cccc([N+](=O)[O-])c2)=NNC(=S)NN)s1,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc([N+](=O)[O-])cc2)=NNC(N)=S)s1,CI,0
COc1cc(C=CC(=NNC(=S)NN)c2sc(NNC(C)=O)nc2C)ccc1O,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc([N+](=O)[O-])cc2)=NNC(N)=O)s1,CI,0
Cc1nc(C(N)=S)sc1C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(C)(C)C,CI,0
CCNc1c(C(=O)N(CC)CC)c(O)nc2ncccc12,CI,0
Cc1cc2ccc(N)nc2nc1O,CI,0
CC(=O)Nc1ccc2cc(C)c(O)nc2n1,CI,0
Cc1ccnc2nc(N)ccc12,CI,0
Cc1cc(C)c2cc(N)c(Cl)nc2n1,CI,0
CC(=O)Nc1ccc2c(C(=O)O)c(C)c(O)nc2n1,CI,0
Cc1cc(Cl)nc2nc(Cl)c(N)cc12,CI,0
Nc1ccc2c(O)cc(O)nc2n1,CI,0
OCCN(CCO)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1,CI,0
O=[N+]([O-])c1cc2ccc(N(CCO)CCO)nc2nc1N(CCO)CCO,CI,0
OCCN(CCO)c1ccc2ccc(N(CCO)CCO)nc2n1,CI,0
O=C(Nc1ccc(Cl)cc1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccccc1C(=O)O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
CC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
Cc1cccc(C)c1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
Cc1c(Cl)cccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21,CI,0
N#Cc1cccc(C=C2C(=O)c3ccccc3C2=O)c1,CI,0
CN(C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1,CI,0
COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1,CI,0
COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)C(=O)c2ccccc21,CI,0
O=C1C(=Cc2cccc(F)c2)C(=O)c2ccccc21,CI,0
O=C1C(=Cc2cccc(Br)c2)C(=O)c2ccccc21,CI,0
N#Cc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21,CI,0
O=C1C(=Cc2ccc(F)cc2)C(=O)c2ccccc21,CI,0
O=C1C(=Cc2c(O)cc(O)cc2O)C(=O)c2ccccc21,CI,0
O=C(CCc1n[nH]c(=S)o1)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CC(C)c1ccccc1NC(=O)CCc1n[nH]c(=S)o1,CI,0
O=C(CCc1n[nH]c(=S)o1)Nc1cc(Cl)ccc1Cl,CI,0
O=C(CCc1n[nH]c(=S)o1)Nc1ccc(Cl)cc1Cl,CI,0
Cc1cccc(C)c1NC(=O)CCc1n[nH]c(=S)o1,CI,0
CCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1,CI,0
O=C(CCc1n[nH]c(=S)o1)Nc1ccccc1C(F)(F)F,CI,0
Cc1ccc(C)c(NC(=O)CCc2n[nH]c(=S)o2)c1,CI,0
CCc1cccc(C)c1NC(=O)CCc1n[nH]c(=S)o1,CI,0
Cc1ccc(NC(=O)CCc2n[nH]c(=S)o2)cc1,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)CCc1n[nH]c(=S)o1,CI,0
COc1cc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0
COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1OC,CI,0
COc1cc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
FC(F)(F)c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1,CI,0
COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0
COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1,CI,0
COc1cc(Nc2nc3cc(C)ccc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCO)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NC(CO)(CO)CO)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(N)=O)cccc34)cc2)no1,CI,0
CCOC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c3ccccc3nc12,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)O)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCC#N)cccc34)cc2)no1,CI,0
CCOC(=O)CNC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c3ccccc3nc12,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NC=O)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)no1,CI,0
CC[S+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S+](C)CC)cc3)c3ccc2[nH]3)cc1.[O-][Cl+3]([O-])([O-])O,CM,1
CC(C)(C)c1cc(-c2c3ccc(n3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc([nH]3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc(n3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc2[nH]3)cc(C(C)(C)C)c1,CI,0
c1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1,CI,0
NCc1ccccc1-c1c2ccc(n2)c(-c2ccccc2CN)c2ccc([nH]2)c(-c2ccccc2CN)c2ccc(n2)c(-c2ccccc2CN)c2ccc1[nH]2,CI,0
Clc1ccc(-c2c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc2[nH]3)cc1,CI,0
NS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(N)(=O)=O)cc3)c3ccc([nH]3)c(-c3ccc(S(N)(=O)=O)cc3)c3ccc(n3)c(-c3ccc(S(N)(=O)=O)cc3)c3ccc2[nH]3)cc1,CI,0
COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)cc3)c3ccc2[nH]3)cc1,CI,0
CCCCNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCCCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCC)cc3)c3ccc2[nH]3)cc1,CI,0
CCCCCCCCCCCCNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCC)cc3)c3ccc2[nH]3)cc1,CI,0
CCOS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc2[nH]3)cc1,CI,0
COC(=O)CNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc2[nH]3)cc1,CI,0
C1CNCCNCCNCCN1,CI,0
N#CCN1CCN(CC#N)CCN(CC#N)CCN(CC#N)CC1,CI,0
CCOC(=O)N1CCNCCN(C(=O)OCC)CCNCC1,CI,0
Cl.O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CCNCC1,CI,0
Cl.O=C(O)CN1CCNCCN(CC(=O)O)CCNCC1,CI,0
O=P(O)(O)CN1CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1,CI,0
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1,CI,0
CCOC(=O)CN1CCNCCN(CC(=O)OCC)CCNCC1,CI,0
CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCNCC1,CI,0
NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1,CI,0
CCOP(=O)(O)CN1CCNCCN(CP(=O)(O)OCC)CCNCC1.[NaH],CI,0
COc1ccc(C=c2sc3nnc(CCC(=O)Nc4cccc(C(F)(F)F)c4)n3c2=O)cc1,CI,0
Cc1cccc(C)c1NC(=O)CCc1nnc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n12,CI,0
O=C(CCc1nnc2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(CCc1nnc2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(CCc1nnc2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CC(=O)Nc1ccc(C=c2sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1,CI,0
O=C(CCc1nnc2sc(=Cc3ccccc3Cl)c(=O)n12)Nc1cc(Cl)ccc1Cl,CI,0
O=C(CCc1nnc2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
Cc1cccc(C)c1NC(=O)CCc1nnc2sc(=Cc3ccc(Cl)cc3)c(=O)n12,CI,0
O=C(CCc1nnc2sc(=Cc3ccccc3)c(=O)n12)Nc1cc(Cl)ccc1Cl,CI,0
Cc1ccc(NC(=O)CCc2nnc3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n23)cc1,CI,0
C#CC1(O)c2ccccc2C(=O)c2ccccc21,CI,0
O=C1c2ccccc2C(Br)(Br)c2ccccc21,CI,0
O=C1c2c(O)cccc2Cc2cccc(O)c21,CI,0
CCOC(=O)CCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21,CI,0
CC(C)=CC(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21,CI,0
CCOC(=O)CCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21,CI,0
CC=CC=CC(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21,CI,0
CC(=O)OC(C)C(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21,CI,0
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21,CI,0
O=C1c2cccc(O)c2Cc2c(O)cc(CO)cc21,CI,0
O=C(O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,CI,0
CC(=O)C1C(=O)C(=O)N(c2ccccc2C(C)C)C1=O,CI,0
CC(=O)C1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O,CI,0
N#CC1C(=O)C(=O)N(c2ccccc2)C1=O,CI,0
CC(=O)C1C(=O)C(=O)N(c2ccccc2)C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.[NaH],CI,0
CC(=O)C1C(=O)C(=O)N(c2cccc(C)c2C)C1=O.[NaH],CI,0
O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1,CI,0
O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1C,CI,0
Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O,CI,0
O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
CCc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O,CI,0
O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
CCc1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O,CI,0
CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O,CI,0
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)Sc2ccccc2N1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2cccc(C)c2C)Sc2ccccc2N1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2cc(C)ccc2C)Sc2ccccc2N1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2cccc(Cl)c2C)Sc2ccccc2N1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2C)Sc2ccccc2N1,CI,0
CCOc1ccccc1NC(=O)C(=O)CC(=O)C1=C(C)Nc2ccccc2S1,CI,0
O=C(CC(=O)C1=CNc2ccccc2S1)C(=O)Nc1ccc(Cl)cc1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2)Sc2ccccc2N1,CI,0
CCOc1ccc(NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2)cc1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2)Sc2ccccc2N1,CI,0
CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2C)Sc2ccccc2N1,CI,0
O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=O)C2=O)c1,CI,0
CC(C)c1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,CI,0
O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,CI,0
O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,CI,0
O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
N#CC1(c2nc3ccccc3o2)C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=O,CI,0
Cc1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O,CI,0
O=C1C(Cl)=C(Cl)C(=O)N1c1cccc(C(F)(F)F)c1,CI,0
Cc1cccc(N2C(=O)C(Cl)=C(Cl)C2=O)c1,CI,0
Cc1c(Cl)cccc1N1C(=O)C(Cl)=C(Cl)C1=O,CI,0
Cc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1,CI,0
O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)c(Cl)c1Cl,CI,0
O=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1Cl,CI,0
O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1,CI,0
O=C1C(Cl)=C(Cl)C(=O)N1c1c(F)c(F)c(F)c(F)c1F,CI,0
C#Cc1ccccc1N1C(=O)C=CC1=O,CI,0
Nc1ccccc1N1C(=O)C(Cl)=C(Cl)C1=O,CI,0
Nc1cc(Cl)ccc1N1C(=O)C=CC1=O,CI,0
OC1CN2CCC(O)C2C(O)C1O,CM,1
CC(=O)OC1CN2CCC(O)C2C(O)C1O,CM,1
CCCC(=O)OC1CN2CCC(O)C2C(O)C1O,CI,0
CCCCCCCCCC(=O)OC1CN2CCC(O)C2C(O)C1O,CI,0
CCCCCC(=O)OC1CN2CCC(O)C2C(O)C1O,CI,0
OC1CCN2CCC(O)C2C1O,CI,0
CCC1CCC2CCCC(C)N12,CI,0
CCCCCCC1CCC2CCCC(C)N12,CI,0
Cl.OC1CN2CCCC(O)C2C1O,CI,0
CCC1CC(O)C2C(O)C(O)CN2C1,CI,0
CCCCC1CCN2CC(O)C(O)C2C1O,CI,0
CCC1=C(c2cccc(OC(C)=O)c2)C(C)c2ccc(OC(C)=O)cc21,CI,0
COc1cc2c(cc1OC)C(Cl)C(c1ccc(Cl)c(Cl)c1)=C2Cl,CI,0
COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2Cl)cc1,CI,0
COc1cc2c(cc1OC)C(Cl)C(c1ccc(Br)cc1)=C2Cl,CI,0
COc1cc2c(cc1OC)C(Cl)C(c1ccc(F)cc1)=C2Cl,CI,0
COc1cc2c(cc1OC)C(Cl)C(c1cc(OC)c(OC)c(OC)c1)=C2Cl,CI,0
CCOc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2Cl)cc1,CI,0
COc1cc2c(cc1OC)C(Cl)C(c1ccc(Cl)cc1)=C2Cl,CI,0
COc1cc2c(cc1OC)C(N(C)C)C(c1ccccc1)=C2Cl,CI,0
COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2OC)cc1OC,CI,0
COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2)cc1OC,CI,0
CCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2,CI,0
CCOc1cc2c(cc1Cc1ccc(OC)cc1)OCO2,CI,0
COc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1,CI,0
C=CCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2,CI,0
COc1cc(C(C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC,CI,0
CCOc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1,CI,0
COc1ccc(C(C)(C)c2cc3c(cc2OC)OCO3)cc1,CI,0
COc1cc(C(O)c2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0
COc1ccc(C(O)c2ccc3c(c2)OCO3)cc1,CI,0
COc1cc(Cc2cc3c(c(C(=O)O)c2Br)OCO3)cc(OC)c1OC,CI,0
COc1cc(C(O)(CC#N)c2cc3c(cc2Br)OCO3)cc(OC)c1OC,CI,0
O=[N+]([O-])c1cccc(C2CC(c3ccccc3)=Nc3ccccc3S2)c1,CI,0
COc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2S1,CI,0
COc1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1,CI,0
COc1ccc(C2=Nc3ccccc3SC(c3ccc(OC)cc3)C2)cc1,CI,0
COc1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1OC,CI,0
Cc1ccc(C2=Nc3ccccc3SC(c3cccc([N+](=O)[O-])c3)C2)cc1,CI,0
O=[N+]([O-])c1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1,CI,0
Nc1ccc(C2=Nc3ccccc3SC(c3ccccc3O)C2)cc1,CI,0
Cc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2)cc1,CI,0
Clc1ccc(C2=Nc3ccccc3SC(c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1,CI,0
O=[N+]([O-])c1ccc(C2=Nc3ccccc3SC(c3ccccc3)C2)cc1,CI,0
O=C(C=Cc1cccc2ccccc12)c1ccccc1[N+](=O)[O-],CI,0
O=C(C=Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl,CI,0
O=C(C=Cc1cccc2ccccc12)c1ccc(Br)cc1,CI,0
O=C(C=Cc1cccc2ccccc12)c1ccc(F)cc1,CI,0
O=C(C=Cc1c(O)ccc2ccccc12)c1cccc(O)c1,CI,0
O=C(C=Cc1c(O)ccc2ccccc12)c1ccccc1,CI,0
O=C(C=Cc1c(O)ccc2ccccc12)c1ccccc1Cl,CI,0
O=C(C=Cc1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(C=Cc1cccc2ccccc12)c1ccccc1Cl,CI,0
Nc1ccccc1C(=O)C=Cc1c(O)ccc2ccccc12,CI,0
N#CC(=Cc1cccc2ccccc12)C(=O)c1ccccc1,CI,0
CCn1cc(C(=O)O)c(=O)c2cccc(OC)c21,CI,0
O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O,CI,0
CCCCC=CCc1[nH]c2ccccc2c(=O)c1C,CI,0
CN(C)CCNC(=O)Cn1ccc(=O)c2c([N+](=O)[O-])cccc21.Cl,CI,0
CN(C)CCNC(=O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21.Cl,CI,0
CN(C)CCNC(=O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21.Cl,CI,0
O=C(O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21.[NaH],CI,0
O=C(O)Cn1ccc(=O)c2c([N+](=O)[O-])cccc21.[NaH],CI,0
O=C(O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21.[NaH],CI,0
O=C(O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21.[NaH],CI,0
CN(C)CCNC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21.Cl,CI,0
O=S(=O)(O)SCC1=NCCN1,CI,0
NCC1=NCCN1,CI,0
CCCC(O)(CCC)C1=NCCN1,CI,0
CCCCCC(C)(O)C1=NCCN1,CI,0
CCCCCCCCCCCCCCCC1=NCCN1C,CI,0
CCCCCCCCCCCCCC1=NCC(C)(C)N1,CI,0
CSC1=NC(C(N)=O)C(N)N1C,CI,0
CN(NC(=O)CCCl)C1=NCCN1.I,CI,0
CCOC(=O)C(=O)C(=O)NN(C)C1=NCCN1.I,CI,0
I.O=C(CCCl)NNC1=NCCN1,CI,0
CCOC(=O)CC(=O)C(=O)NNC1=NCCN1.I,CI,0
COc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC,CI,0
COc1cc2cnc3c4ccccc4ccc3c2cc1OC,CI,0
CCOc1cc2ccc3c4cc(OC)c(OC)cc4cnc3c2cc1OCC,CI,0
CCOc1cc2c(cnc3c4cc(OC)c(OC)cc4ccc23)cc1OC,CI,0
COc1cc2cnc3c4cc(OC(C)C)c(OC)cc4ccc3c2cc1OC,CI,0
COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4cnc3c2cc1OC,CI,0
COc1cc2cnc3c4cc(OC)c(OC(C)C)cc4ccc3c2cc1OC,CI,0
COc1cc2ccc3c4ccccc4cnc3c2cc1OC,CI,0
COc1cc2cnc3c4cc(O)ccc4ccc3c2cc1OC,CI,0
CCOc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC,CI,0
COc1ccc2c(cnc3c4cc(OC)c(OC)cc4ccc23)c1,CI,0
O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc2c1,CI,0
Cc1cc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2cc1C,CI,0
Brc1cccc(-c2nc3ccccc3[nH]2)c1,CI,0
Cc1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1,CI,0
Cc1cc2nc(-c3ccccc3Cl)[nH]c2cc1C,CI,0
Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1,CI,0
Cc1ccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2c1,CI,0
O=[N+]([O-])c1cccc(-c2nc3ccccc3[nH]2)c1,CI,0
Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1,CI,0
Cc1ccc2[nH]c(-c3ccccc3Cl)nc2c1,CI,0
CCCCCCCC(=O)c1ccc(O)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1,CI,0
N#CCC1COc2ccccc2O1,CI,0
CCOC(=O)C(CC1COc2ccccc2O1)C(=O)OCC,CI,0
O=C(O)CCC1COc2ccccc2O1,CI,0
CCN(CCO)CC1COc2ccccc2O1,CI,0
ClCCCC1COc2ccccc2O1,CI,0
CN(CCO)CCCC1COc2ccccc2O1,CI,0
OCC1COc2cc(Cl)c(Cl)cc2O1,CI,0
N#CSCC1COc2ccccc2O1,CI,0
OCC(CO)CC1COc2ccccc2O1,CI,0
CN(CCO)CCC1COc2ccccc2O1,CI,0
CC1(C)Oc2ccccc2OC1O,CI,0
COc1c(OC)c(OC)c2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c1OC,CI,0
COc1c(-c2ccc3c(c2)OCO3)oc2cc(O)cc(O)c2c1=O,CI,0
COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC,CI,0
COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(O)c1OC,CI,0
COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1OC,CM,1
COc1c(OC)c(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC,CI,0
COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1,CI,0
COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1O,CI,0
COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1,CI,0
COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1O,CI,0
COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC,CI,0
O=c1cc(-c2ccccc2)c2ccc(O)cc2o1,CI,0
CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O,CI,0
Cc1c(OC(C)C(=O)O)ccc2c(-c3ccccc3)cc(=O)oc12,CI,0
CC(Oc1ccc2c(-c3ccc(Cl)cc3)cc(=O)oc2c1)C(=O)O,CI,0
CC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)O,CI,0
COc1cc(OC)c2c(-c3ccc(O)cc3)cc(=O)oc2c1,CI,0
CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1,CI,0
CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)cc(=O)oc2c1,CI,0
CSCCC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,CI,0
CC(C)C(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,CI,0
CC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,CI,0
Cc1cccc(C2OC(=O)c3c2ccc2ccccc32)c1,CI,0
CC1(c2ccc(F)cc2)OC(=O)c2c1ccc1ccccc21,CI,0
CC1(c2ccccc2)OC(=O)c2c1ccc1ccccc21,CI,0
CC1(c2ccc(Cl)cc2)OC(=O)c2c1ccc1ccccc21,CI,0
O=C1OC(c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c21,CI,0
COc1ccc(OC)c2c3c(ccc12)C(c1ccccc1)OC3=O,CI,0
Cc1ccc(C2OC(=O)c3c2ccc2ccccc32)cc1,CI,0
COc1ccc(OC)c2c3c(ccc12)C(C)(c1ccccc1)OC3=O,CI,0
Cc1cc(Cl)ccc1C1OC(=O)c2c1ccc1ccccc21,CI,0
COc1ccc(C2OC(=O)c3c2ccc2ccccc32)c(C)c1,CI,0
CSc1ccc(C2OC(=O)c3c2ccc2ccccc32)c(C)c1,CI,0
O=c1c(Cl)c(Cl)cnn1CCCl,CI,0
COc1ccc(=O)n(C)n1,CI,0
CCOP(=S)(CC)Oc1cnn(C)c(=O)c1SCC,CI,0
CCSc1c(S)cnn(C)c1=O,CM,1
CN(CCO)c1cnn(CCO)c(=O)c1Cl,CI,0
NC(=O)n1ncc(Cl)c(Cl)c1=O,CI,0
N=C(N)n1ncc(Cl)c(Cl)c1=O,CI,0
CC(=O)CCn1ncc(Cl)c(Cl)c1=O,CI,0
CCOC(=O)CCn1ncc(Cl)c(Cl)c1=O,CI,0
COC(=O)C(=O)CC(=O)CCn1ncc(Cl)c(Cl)c1=O,CI,0
NC(=O)C(=O)n1ncc(Cl)c(Cl)c1=O,CI,0
CN(C)Cc1c[nH]c2ncnc(O)c12,CI,0
N=C(N)CCNC(=O)c1c[nH]c2nc(N)nc(O)c12,CI,0
Cc1c(C)n(COCCO)c2ncnc(N)c12,CI,0
CCOC(=O)CSc1[nH]c2nc(C)nc(Cl)c2c1C#N,CI,0
CSc1nc(O)c2cc[nH]c2n1,CI,0
NC(=S)Nc1nc(S)nc2[nH]ccc12,CM,1
CCOC(=O)c1[nH]c2nc(SC)nc(NC)c2c1N,CI,0
Nc1ncnc2c1ccn2CC#CCO,CI,0
Nc1ncnc2c1ccn2CC=CCO,CI,0
Nc1ncnc2c1ccn2CC=C(CO)CO,CI,0
Nc1ncnc2c1ccn2COC(CO)CO,CI,0
Nc1ccc2c(c1)C(N)c1ccccc1-2,CI,0
Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2,CI,0
CC(=O)Nc1ccc2c(c1)Cc1cc(N(CCO)CCO)ccc1-2,CI,0
COP(=O)(OC)C1c2ccccc2-c2cccc(C(=O)O)c21,CI,0
NC1(S(=O)(=O)O)c2ccccc2-c2ccccc21,CI,0
CCOC(=O)C(C(=O)OCC)C1c2ccccc2-c2ccccc21,CI,0
CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2,CI,0
COC(=O)C(=O)C1(CCC(C)=O)c2ccccc2-c2c(C)ccc(C)c21,CI,0
COC(=O)C(=O)C1(CCC(C)=O)c2ccccc2-c2ccccc21,CI,0
CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C,CI,0
CON(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21,CI,0
O=S(=O)(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)Sc2ccccc2)cc1,CI,0
O=S(=O)(Sc1ccccc1)c1ccccc1,CI,0
COc1ccccc1S(=O)(=O)Sc1ccccc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccccc1SS(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(SS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
CC(=O)Nc1ccc(SS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
Cc1ccc(SS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CC(C)(C)c1ccc(SS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,CI,0
O=C(O)c1cccc(SS(=O)(=O)c2cccc(C(=O)O)c2)c1,CM,1
COc1ccc(SS(=O)(=O)c2ccc(OC)cc2)cc1,CI,0
CCOC1NC(=O)NC(=O)C1(C)Cl,CI,0
COC(=O)C1(F)C(=O)NC(=O)NC1OC,CI,0
CCCCOC1NC(=O)NC(=O)C1(F)C(=O)OCC,CI,0
COC(=O)C1(F)C(=O)NC(=O)NC1O,CI,0
CC(C)CN1CC(C)C(=O)NC1=O,CI,0
N=C(N)C1CN(CC=O)C(=O)NC1=O,CI,0
CN1C(=O)N(C)C(O)C(Cl)(Br)C1=O,CI,0
CC(=O)OC1NC(=O)NC(=O)C1(Br)Br,CI,0
CN1CC(Br)(Br)C(=O)N(C)C1=O,CI,0
CN1C(=O)N(C)C(O)C(Cl)(Cl)C1=O,CI,0
CC1(Cl)C(=O)NC(=O)NC1O,CI,0
O=C(NN1CCOC1=O)OCCCl,CI,0
NN1CCOC1=O,CI,0
CN(C)N1CCOC1=O,CI,0
CC1(C)COC(=O)N1,CI,0
O=C1OCCN1CCO,CI,0
O=C1NC(CO)(CO)CO1,CI,0
CC(=O)CC(=O)N1CCOC1=O,CI,0
CC(=O)C(=[N+]=[N-])C(=O)N1CCOC1=O,CI,0
NCCCCNCCCN1CCOC1=O,CI,0
NCCCNCCCCN1CCOC1=O,CI,0
COC(=O)C1COC(=O)N1,CI,0
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,CI,0
O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1,CI,0
O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)cc1,CI,0
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1,CI,0
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)CC(=O)C=Cc1ccc(O)c(O)c1,CI,0
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,CI,0
COc1cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,CI,0
CC(C)(C)c1cc(C=CC(=O)CC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,CI,0
O=C(C=Cc1ccc(O)c([N+](=O)[O-])c1)CC(=O)C=Cc1ccc(O)c([N+](=O)[O-])c1,CI,0
O=C(C=Cc1ccc(O)c(F)c1)CC(=O)C=Cc1ccc(O)c(F)c1,CI,0
O=NC1C2C=CC(C2)C1Cl,CI,0
C[N+](C)(C)CC1C2C=CC(C2)C1CO,CI,0
CN(C)CC1C2C=CC(C2)C1CO,CI,0
O=C(CO)C1CC2C=CC1C2,CI,0
COC1C2C=CC(C2)C1[N+](=O)[O-],CI,0
CCOC1C2C=CC(C2)C1[N+](=O)[O-],CI,0
COC1(OC)C2C=CC1C(C(C)(N)CO)C2,CI,0
N#CCCC1C(C#N)C2(Cl)CC1(Cl)C(Cl)=C2Cl,CI,0
CC(C)(C)NC(=O)CCC1C(C(=O)NC(C)(C)C)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,CI,0
O=C(O)C1=C(C(=O)O)C2CCC1C2,CI,0
COC1(OC)C2(Cl)CC(OC(C)=O)C1(Cl)C(Cl)=C2Cl,CI,0
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,CI,0
CCN(CCNc1ccc(C)c2sc3ccccc3c(=O)c12)CC(C)(C)O,CI,0
CCN(CCO)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,CI,0
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,CI,0
Cc1ccc(NCCNCCO)c2c(=O)c3ccccc3sc12,CI,0
CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12,CI,0
O=c1c2cc(Cl)ccc2sc2cccc(Cl)c12,CI,0
Cc1ccc2c(=O)c3ccccc3sc2c1,CI,0
O=c1c2ccccc2sc2ccccc12,CI,0
Cc1ccc(Cl)c2c(=O)c3ccc([N+](=O)[O-])cc3sc12,CI,0
Cc1ccc(Cl)c2c(=O)c3ccc(N)cc3sc12,CI,0
Nc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(N)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc12,CI,0
Nc1ccc2ccccc2c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(N)ccc4ccccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CM,1
O=S(=O)(O)c1cc(N=Nc2ccc(O)c3ccccc23)ccc1C=Cc1ccc(N=Nc2ccc(O)c3ccccc23)cc1S(=O)(=O)O,CA,1
O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)ccc1C=Cc1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O,CI,0
O=C(O)c1cc2ccccc2c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(O)c(C(=O)O)cc5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O,CA,1
O=S(=O)(O)c1ccc2c(N=Nc3ccc(C=Cc4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)O)ccc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)ccc2c1.[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)ccc1C=Cc1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O.[NaH],CI,0
O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)c(N=Nc3ccc(C=Cc4ccc(N=Nc5c(S(=O)(=O)O)cc(O)c6c(O)cc(S(=O)(=O)O)cc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c2c1.[NaH],CA,1
Nc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(N)c5cc(S(=O)(=O)O)ccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12.[NaH],CM,1
Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1
O=C(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(C(=O)O)c(O)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc2c1O.[NaH],CM,1
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(C)CC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C(C)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC(=C)CN(S(=O)(=O)c2ccc(C)cc2)CCC1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC(C)CC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCCC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCC(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC(C)(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(=O)OC(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(=O)OC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
Cc1c(Cc2ccccc2)n(C(C)OCCO)c(=O)[nH]c1=O,CI,0
CCc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O,CA,1
Cc1c(Cc2ccccc2)n(C(C)OCCN(O)C(N)=O)c(=O)[nH]c1=O,CI,0
Cc1c(Cc2ccccc2)n(COCCCO)c(=O)[nH]c1=O,CM,1
CC(=O)OCCCOCn1c(Cc2ccccc2)c(C)c(=O)[nH]c1=O,CM,1
CCc1c(Cc2cc(C)cc(C)c2)n(COCCCO)c(=O)[nH]c1=O,CA,1
CCc1c(Cc2ccccc2)n(COCCCO)c(=O)[nH]c1=O,CA,1
CCc1c(Cc2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CI,0
CCc1c(Cc2cc(C)cc(C)c2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CA,1
CCc1c(Cc2ccccc2)n(COCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CI,0
Cc1nc2ccc(S(=O)(=O)Nc3ccccc3)cc2c(=O)n1NC(=O)CNc1ccccc1,CI,0
COc1ccccc1NCC(=O)Nn1c(C)nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2c1=O,CI,0
COc1ccc(NCC(=O)Nn2c(C)nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3c2=O)cc1,CI,0
Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2c(=O)n1NC(=O)CNc1ccccc1Cl,CI,0
Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1NC(=O)CNc1ccc(Cl)cc1,CI,0
O=C(CNc1ccccc1C(=O)O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2c1=O,CI,0
O=C(CNc1ccccc1[N+](=O)[O-])Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3[N+](=O)[O-])cc2c1=O,CI,0
CC(=O)Nc1ccc(NCC(=O)Nn2cnc3ccc(S(=O)(=O)Nc4ccc(NC(C)=O)cc4)cc3c2=O)cc1,CI,0
CC(=O)c1ccccc1NCC(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(C)=O)cc2c1=O,CI,0
COc1ccc(OC)c(NCC(=O)Nn2cnc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3c2=O)c1,CI,0
CN(C)CCCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23.Cl,CI,0
CN(C)CCn1c(=O)c2ccc(NCCNCCO)c3c(=O)c4ccccc4n(c1=O)c23.Cl,CI,0
COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3c(=O)n(CCN(C)C)c(=O)n2c31.Cl,CI,0
COc1ccc2c(c1)c(=O)c1c(NCCNCCO)ccc3c(=O)n(CCN(C)C)c(=O)n2c31.Cl,CI,0
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23,CI,0
CN(C)CCN(C)c1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23,CI,0
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(O)cc4c(=O)c1c23,CI,0
CN(C)CCn1c(=O)c2ccc(NCCNCCO)c3c(=O)c4cc(O)ccc4n(c1=O)c23,CI,0
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc([N+](=O)[O-])cc4c(=O)c1c23,CI,0
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(N)cc4c(=O)c1c23,CI,0
Oc1ccc2c(c1)-c1c(c3cc(O)ccc3n1CCN1CCOCC1)CC2,CI,0
c1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccccc12,CI,0
COc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCOCC1)CC2,CI,0
COc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2ccccc2CC1,CI,0
COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCN1CCOCC1)CC2,CI,0
COc1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccc(OC)cc12,CI,0
COc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2cccc(OC)c2CC1,CI,0
Oc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCOCC1)CC2,CI,0
Oc1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccc(O)cc12,CI,0
Oc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2ccccc2CC1,CI,0
CC(=O)NC(C)c1ccc(N=NN2CCCC2)cc1,CI,0
COc1ccc(N=NN2CCCC2)cc1,CI,0
Fc1ccc(N=NN2CCCC2)cc1,CI,0
Brc1ccc(N=NN2CCCC2)cc1,CI,0
FC(F)(F)c1ccc(N=NN2CCCC2)cc1,CI,0
N#Cc1ccc(N=NN2CCCC2)cc1,CI,0
O=[N+]([O-])c1ccc(N=NN2CCCC2)cc1,CI,0
CC(=O)c1ccc(N=NN2CCCC2)cc1,CI,0
COc1cccc(N=NN2CCCC2)c1,CI,0
Brc1cccc(N=NN2CCCC2)c1,CI,0
O=C1NC(N2CCCCC2)=NC1=Cc1ccccc1,CI,0
COc1ccc(C=C2N=C(N3CCCCC3)NC2=O)cc1,CI,0
Cc1ccc(C=C2N=C(N3CCCCC3)NC2=O)cc1,CI,0
O=C1NC(N2CCCCC2)=NC1=Cc1ccc(Cl)cc1,CI,0
O=C1NC(N2CCCC(CO)C2)=NC1=Cc1ccccc1,CI,0
COc1ccc(C=C2N=C(N3CCCC(CO)C3)NC2=O)cc1,CI,0
O=C1NC(N2CCCC(CO)C2)=NC1=Cc1ccc(Cl)cc1,CI,0
Cc1ccc(C=C2N=C(N3CCCC(CO)C3)NC2=O)cc1,CI,0
O=C1NC(N2CCCC(CO)C2)=NC1=Cc1ccc(O)cc1,CI,0
O=C1NC(N2CCCCC2)=NC1=Cc1ccccc1O,CI,0
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0
CCCCOC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0
C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0
C=C(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0
C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0
CC(C)=CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3(C)C(=O)CC12C,CI,0
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C,CI,0
CC(=O)C1C(O)CC2(C)C3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3(C)C(=O)CC12C,CI,0
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C,CI,0
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12C,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccccc2)cc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1O,CI,0
Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccccc2O)cc1,CI,0
Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1,CI,0
Cc1ccc(C=Nn2c(-c3ccc(C)cc3)n[nH]c2=O)cc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1Cl,CI,0
Cc1cn(C2CC(=CC#N)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2cc(C)c(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2cc(C)c(=O)n(C)c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C(=CC#N)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CI,0
COC(=O)C=C1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CC#N,CI,0
COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CC(=N)NO,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CCO,CI,0
COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O,CI,0
COc1ccc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CCC2C(=O)O)cc1,CI,0
COc1cc(C(c2ccccc2)N2C(=O)CCC2C(=O)O)cc(OC)c1OC,CI,0
COc1ccc(C(c2ccccc2)N2C(=O)CCC2C(=O)O)cc1OC,CI,0
COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CCC2C(=O)O)cc1,CI,0
COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,CI,0
COC(=O)C1CCC(=O)N1C(c1ccccc1)c1cc(OC)c(OC)c(OC)c1,CI,0
COC(=O)C1CCC(=O)N1C(c1ccccc1)c1ccc(OC)c(OC)c1,CI,0
COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
COC(=O)C1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1,CI,0
COc1cc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CCC2C(=O)O)cc(OC)c1OC,CI,0
CC1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1,CI,0
CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)c(Cl)c2)S1,CI,0
O=C(Nc1ccccc1)N(C1=NCC(CI)S1)c1ccc(F)c(F)c1,CI,0
Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1C,CI,0
CC1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1,CI,0
Cc1cccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCC(C)S2)c1,CI,0
CC1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2cccc(Cl)c2)S1,CI,0
CC1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)S1,CI,0
Cc1ccc(N(C(=O)Nc2ccc(F)c(Cl)c2)C2=NCC(C)S2)cc1,CI,0
O=C(Nc1ccccc1)N(C1=NCC(CI)S1)c1ccc(F)cc1F,CI,0
CC(=NNC(=S)Nc1ccccc1)c1cccc(C(C)=NNC(=S)Nc2ccccc2)n1,CI,0
CC(=NNC(=S)Nc1ccc(Cl)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(Cl)cc2)n1,CI,0
CC(=NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(C)=NNC(=S)Nc2cccc(Cl)c2)n1,CI,0
CC(=NNC(=S)Nc1ccccc1Cl)c1cccc(C(C)=NNC(=S)Nc2ccccc2Cl)n1,CI,0
COc1ccc(NC(=S)NN=C(C)c2cccc(C(C)=NNC(=S)Nc3ccc(OC)cc3)n2)cc1,CI,0
CC(=NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(C)=NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1,CI,0
CC(=NNC(=S)Nc1ccc(C)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(C)cc2)n1,CI,0
CC(=NNC(=S)Nc1cccc(C)c1)c1cccc(C(C)=NNC(=S)Nc2cccc(C)c2)n1,CI,0
CC(=NNC(=S)Nc1ccccc1C)c1cccc(C(C)=NNC(=S)Nc2ccccc2C)n1,CI,0
COc1ccccc1NC(=S)NN=C(C)c1cccc(C(C)=NNC(=S)Nc2ccccc2OC)n1,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccccc1,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccccc1Cl,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccc(Cl)cc1,CI,0
Cc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1,CI,0
Cc1cccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)c1,CI,0
Cc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1,CI,0
COc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1,CI,0
O=[N+]([O-])c1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1,CI,0
COc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1,CI,0
COc1ccc(C=CC(=O)OCCc2ccccc2)cc1OC,CI,0
COc1cc(C=CC(=O)OCCc2ccccc2)ccc1O,CI,0
COc1ccc(C=CC(=O)OCCc2ccccc2)cc1O,CI,0
O=C(C=Cc1cc(O)ccc1O)OCCc1ccccc1,CM,1
O=C(C=Cc1ccc(O)c(O)c1O)OCCc1ccccc1,CI,0
O=C(C=Cc1cc(O)c(O)cc1O)OCCc1ccccc1,CI,0
O=C(C=Cc1cc(O)c(O)c(O)c1)OCCc1ccccc1,CI,0
O=C(C=Cc1ccc(F)c(F)c1)OCCc1ccccc1,CI,0
O=C(C=Cc1cc(F)ccc1F)OCCc1ccccc1,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1OC,CI,0
CCC1C(c2cccc(OC)c2O)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
COc1ccccc1C1c2cc3c(cc2OC(N2CCCC2)C1C)OCO3,CI,0
CCC1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1,CI,0
CC1C(c2ccc(F)cc2)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
CC1C(c2ccc(N(C)C)cc2)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
COc1cc(OC)c(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c(OC)c1,CI,0
CC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)cc(OC)c1O,CI,0
O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1,CI,0
Cc1ccccc1Nc1nc(NNC(=O)Cc2ccccc2)nc(NNC(=O)c2ccncc2)n1,CM,1
COc1ccccc1Nc1nc(NNC(=O)Cc2ccccc2)nc(NNC(=O)c2ccncc2)n1,CI,0
O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2cccc(Cl)c2)n1,CI,0
Cc1cccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c1,CI,0
COc1cccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c1,CI,0
O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccc(Cl)cc2)n1,CI,0
Cc1ccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)cc1,CI,0
COc1ccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)cc1,CM,1
O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1,CI,0
CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1C,CI,0
COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(C)=O,CI,0
CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1,CI,0
COc1ccc(NC(=O)C(=Cn2c(=S)[nH]c3cc(C)ccc32)C(C)=O)cc1,CI,0
COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(C)=O,CI,0
COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(C)=O,CI,0
CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(Cl)cc1,CI,0
NC(=O)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
CCCCNC(=O)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
NC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
C=CCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(=O)NNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
CCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
CCCCCCCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
CCCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
NC(=S)C(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(C)(C)OC(=O)NC=C1C(=O)Oc2ccccc2C1=O,CI,0
COc1ccc(C2SC(=Cc3ccccc3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C=C2SC(c3ccc(OC)cc3)N(NC(=O)Cc3ccccc3)C2=O)cc1,CI,0
COc1ccc(C2SC(=Cc3ccc(O)cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3cccc(O)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3ccc(OC)cc3OC)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
COc1ccc(C2SC(=Cc3cccc(OC)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1,CI,0
Nc1nc(O)c2ncn(C3C=CC(O)CC3)c2n1,CI,0
Nc1nc(Cl)c2ncn(C3C=CC(O)CC3)c2n1,CI,0
Nc1nc(Cl)c2ncn(C3C=CC(CO)CC3)c2n1,CI,0
Nc1nc(N)c2ncn(C3C=CC(CO)CC3)c2n1,CI,0
Nc1nc(O)c2ncn(C3C=CC(CO)CC3)c2n1,CI,0
COC(=O)OCC1C=CC(n2cnc3c(Cl)nc(N)nc32)CC1,CI,0
OCC1C=CC(n2cnc3c(Cl)ncnc32)CC1,CI,0
Nc1ncnc2c1ncn2C1C=CC(CO)CC1,CI,0
OCC1C=CC(n2cnc3c(O)ncnc32)CC1,CI,0
COC(=O)OCC1C=CC(n2cnc3c(Cl)ncnc32)CC1,CI,0
Clc1ccccc1C1=NN(c2ccccc2)C2c3cc(Br)ccc3OCC12,CI,0
Clc1ccccc1C1=NN(c2ccccc2)C2c3ccccc3OCC12,CI,0
Clc1cccc2c1OCC1C(c3ccccc3)=NN(c3ccccc3)C21,CI,0
Clc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1,CI,0
Brc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1,CI,0
Clc1ccc(C2=NN(c3ccccc3)C3c4cc(Br)ccc4OCC23)cc1,CI,0
O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)C3c4cc(Br)ccc4OCC23)c1,CI,0
Cc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1,CI,0
O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)C3c4ccccc4OCC23)c1,CI,0
COc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1,CI,0
O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)cc1,CI,0
Nc1ccc(Sc2c3ccccc3nc3ccccc23)cc1,CI,0
O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3cc(Cl)ccc23)cc1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc(N)cc3)c2c1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3)c2c1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Sc3ccccc3[N+](=O)[O-])c2c1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3C)c2c1,CI,0
Cc1cc([N+](=O)[O-])ccc1Sc1c2ccccc2nc2cc(Cl)ccc12,CI,0
Cc1cc([N+](=O)[O-])ccc1Sc1c2ccccc2nc2ccccc12,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc(NC(C)=O)cc3)c2c1,CI,0
Cc1cc2cc(Cl)ccc2nc1C(=O)c1ccccc1,CI,0
O=C(c1ccccc1)c1nc2ccc(Cl)cc2cc1C(Br)Br,CI,0
O=C(c1ccccc1)c1nc2c(Cl)ccc(Cl)c2cc1C(Br)Br,CI,0
COc1cccc2cc(C)c(C(=O)c3ccccc3)nc12,CI,0
O=C(c1ccccc1)c1ccc2cccc(O)c2n1,CI,0
COc1cccc2ccc(C(=O)c3ccccc3)nc12,CI,0
Cc1cc2cccc(Cl)c2nc1C(=O)c1ccccc1,CI,0
COc1ccc2nc(C(=O)c3ccccc3)c(C)cc2c1,CI,0
Cc1cc2c(Br)cc(Br)c(O)c2nc1C(=O)c1ccccc1,CI,0
CC(=O)Oc1c(Br)ccc2cc(C(Br)Br)c(C(=O)c3ccccc3)nc12,CI,0
CC(=O)c1ccc(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
Cc1ccc(C)c(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)c1,CI,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
O=C(Nc1ccc(Cl)cc1Cl)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
Cc1cc(Br)cc(C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
COc1ccc(OC)c(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)c1,CI,0
O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1,CI,0
O=C1Cc2c([nH]c3ccccc23)-c2cc(Br)ccc2N1,CI,0
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CI,0
O=C1Cc2c([nH]c3ccc(Cl)cc23)-c2ccccc2N1,CI,0
O=C1Cc2c([nH]c3c(Cl)cccc23)-c2ccccc2N1,CI,0
O=C1Cc2c([nH]c3cc(Br)ccc23)-c2ccccc2N1,CI,0
O=C1Cc2c([nH]c3c(Br)cccc23)-c2ccccc2N1,CI,0
COc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3,CI,0
Cc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3,CI,0
O=C1Cc2c([nH]c3ccc(F)cc23)-c2ccccc2N1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccccc1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1OC,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc(Cl)cc1,CI,0
COc1cc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)ccc1O,CI,0
Cc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc(Cl)c(Cl)c1,CI,0
COc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1,CI,0
CC(=O)Nc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1,CI,0
Cc1cccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)c1C,CI,0
Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)c(C)c1,CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2ccc(Br)cc2)C(=O)N1,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O,CI,0
Cc1cccc(C)c1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O,CI,0
Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)cc1C,CI,0
Cc1c(Cl)cccc1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O,CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1,CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1,CI,0
O=C1NC(=O)C(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1,CI,0
O=C1C2ON=C(c3ccccc3[N+](=O)[O-])C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5[N+](=O)[O-])C4C3=O)cc2)cc1,CI,0
O=C1C2ON=C(c3ccc(Br)cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccc(Br)cc5)C4C3=O)cc2)cc1,CI,0
O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5cccc([N+](=O)[O-])c5)C4C3=O)cc2)cc1,CI,0
Cc1ccc(C2=NOC3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON=C(c8ccc(C)cc8)C7C6=O)cc5)cc4)C(=O)C23)cc1,CI,0
O=C1C2ON=C(c3ccc(Cl)cc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccc(Cl)cc5Cl)C4C3=O)cc2)cc1,CI,0
Cc1cc(C)c(C2=NOC3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON=C(c8c(C)cc(C)cc8C)C7C6=O)cc5)cc4)C(=O)C23)c(C)c1,CI,0
O=C1C2ON=C(c3ccccc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5)C4C3=O)cc2)cc1,CI,0
O=C1C2ON=C(c3ccccc3Br)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5Br)C4C3=O)cc2)cc1,CI,0
O=C1C2ON=C(c3ccccc3F)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5F)C4C3=O)cc2)cc1,CI,0
O=C1C2ON=C(c3c(Cl)cccc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5c(Cl)cccc5Cl)C4C3=O)cc2)cc1,CI,0
O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2c(Cl)ccc(Cl)c21,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(C)cc(Cl)cc32)cc1,CI,0
O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21,CI,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)C(C(=O)c1ccccc1)c1ccccc1,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)C(C(=O)c1ccccc1)c1ccccc1,CI,0
O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2ccc(Br)cc21,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,CI,0
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c2ccc(Cl)c3C)cc1,CI,0
O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21,CI,0
CCCCN1C(=O)C(NC(C)=O)C1COC(C)(C)C,CI,0
COCCN1C(=O)C(NC(C)=O)C1COC(C)(C)C,CI,0
CCCCN1C(=O)C(O)(NC(C)=O)C1COC(C)(C)C,CI,0
COC(=O)CC1NC(=O)C1C(C)(OC)OC,CM,1
COC(=O)CC1NC(=O)C1C(C)O,CI,0
COC(=O)CC1C(C(C)(OC)OC)C(=O)N1[Si](C)(C)C(C)(C)C,CI,0
COC(=O)CC1NC(=O)C1(C)C(C)O,CI,0
COC(=O)CC1NC(=O)C1C(C)O[Si](C)(C)C(C)(C)C,CI,0
C#CC1NC(=O)C1N(CC)CC,CI,0
CCC1NC(=O)C1NC(=O)OC,CI,0
c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0
Clc1ccccc1C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0
Clc1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1,CI,0
Clc1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0
O=[N+]([O-])c1ccccc1C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0
O=[N+]([O-])c1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1,CI,0
O=[N+]([O-])c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0
CCN(CC)c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0
COc1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1OC,CI,0
COc1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c(OC)c1,CI,0
CCC(O)(Cc1ccccc1)C(C(=O)O)c1ccccc1,CI,0
CC(C)(Cc1ccccc1)Cc1cc(O)ccc1O,CM,1
Cc1ccc(CC(Cc2ccccc2C)C(=O)O)c(C(=O)O)c1,CI,0
Cc1cccc(CC(Cc2ccc(C)cc2C(=O)O)C(=O)O)c1,CI,0
Cc1cccc(CC(Cc2c(C)cccc2C(=O)O)C(=O)O)c1,CI,0
COC(=O)c1cc(C)ccc1CC(Cc1ccccc1C)C(=O)OC,CI,0
COC(=O)c1cc(C)ccc1CC(Cc1cccc(C)c1)C(=O)OC,CI,0
COC(=O)c1ccccc1CC(Cc1ccccc1)C(=O)OC,CI,0
Cc1ccc(CC(Cc2ccc(C)cc2C(=O)O)C(=O)O)cc1,CI,0
O=C(O)c1ccccc1CC(Cc1ccccc1)C(=O)O.[KH],CI,0
C=CCC1C(=O)CC2(C)C(CC=C)C(=O)CC12C,CI,0
C=CCC1C(=O)CC2(C)CC(=O)C(CC=C)C12C,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C2C(C(=O)OC)C(=O)C(C(=O)OC)C12,CM,1
CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C2(C)C(C(=O)OC(C)(C)C)C(=O)C(C(=O)OC(C)(C)C)C12C,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12,CI,0
CCCC12C(C(=O)OC)C(=O)C(C(=O)OC)C1(C)C(C(=O)OC)C(=O)C2C(=O)OC,CI,0
CC12C(C(=O)O)C(=O)C(C(=O)O)C1(C)C(C(=O)O)C(=O)C2C(=O)O,CI,0
CC12CC(=O)CC1(C)CC(=O)C2,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12C,CI,0
COC(=O)C1C(=O)CC2C(C(=O)OC)C(=O)CC12,CI,0
Cl.Oc1nc(-c2ccccc2)nc2ccc(Cl)cc12,CI,0
O=[N+]([O-])c1ccc(-c2nc(O)c3cc(Cl)ccc3n2)cc1,CI,0
COc1ccc(-c2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1,CI,0
Clc1ccc2c(Cl)nc(-c3ccccc3)nc2c1,CI,0
Clc1ccc2nc(-c3ccccc3)nc(Cl)c2c1,CI,0
NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12,CI,0
O=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12.[NaH],CI,0
COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12,CI,0
Oc1nc(-c2ccccc2)nc2cc(Cl)ccc12,CI,0
COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12,CI,0
Cc1[nH]c2c(C)cccc2c1C1Cc2ccccc2N1.Cl,CI,0
Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1.Cl,CI,0
Cc1cccc2c1NC(c1c(C)[nH]c3ccccc13)C2.Cl,CI,0
Cc1c(C2Cc3ccccc3N2)c2ccccc2n1C.Cl,CI,0
Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C=CC(=O)O,CI,0
Cc1c(C2Cc3ccccc3N2C(=O)C=CC(=O)O)c2ccccc2n1C,CI,0
O=C(O)CCC(=O)N1c2ccccc2CC1c1c[nH]c2ccccc12,CI,0
CC=C(C)C(=O)N1c2ccccc2CC1c1c(C)[nH]c2ccccc12,CI,0
Cc1ccc2c(C3Cc4ccccc4N3C(=O)C=CC(=O)O)c(C)[nH]c2c1,CI,0
Cc1cccc2c1N(C(=O)C=CC(=O)O)C(c1c(C)[nH]c3ccccc13)C2,CI,0
COC(OC)C(C)C(O)C(C)(O)C1OC(C)(C)OC(C(C)C=C(C)C)C1C,CI,0
COC(=O)C=C(C)C=CC1OC(C)OCC1O,CI,0
CC1(C)OCC(CO)(CO)CO1,CI,0
CC1(CO)COC(C)(C)OC1,CI,0
CC1(C)OC(C#N)CC(CCl)O1,CI,0
CC(C)[Si](OCC1CC(C#N)OC(C)(C)O1)(C(C)C)C(C)C,CI,0
COC(=O)C1C(C(C)C)OC(C(C)C)OC1C(F)(F)F,CI,0
O=[N+]([O-])C1([N+](=O)[O-])COCOC1,CI,0
CC(C)C1OCC(CO)CO1,CI,0
CCOC(=O)C1(C(=O)OCC)COC(C)(C)OC1,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NNC(=O)NN)C2=O)c1,CI,0
NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NNC(=O)NN)C1=O,CI,0
N#CCC(=O)NN=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NN)C1=O,CI,0
N#CCC(=O)NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NNC(=S)NN)C2=O)c1C,CI,0
NC(=S)NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NN)C2=O)c1,CI,0
N#CC(C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1,CI,0
Cc1ccc(NC(=O)CCC(=O)C(C#N)c2ccccc2)cc1C,CI,0
N#CC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
N#CC(N)(C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1,CI,0
N#CC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl,CI,0
N#CC(C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1,CI,0
Cc1ccc(NC(=O)CCC(=O)C(C#N)c2ccc(Cl)cc2)cc1C,CI,0
N#CC(C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1,CI,0
N#CC(C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1,CI,0
N#CC(C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccccc1,CI,0
N#CC(C(=O)C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1,CI,0
N#CC(C(=O)C(=O)Nc1ccc(Cl)cc1)c1ccccc1,CI,0
CCc1ccccc1NC(=O)C(=O)C(C#N)c1ccccc1Cl,CI,0
Cc1cccc(C)c1NC(=O)C(=O)C(C#N)c1ccccc1Cl,CI,0
Cc1ccccc1NC(=O)C(=O)C(C#N)c1ccc(Cl)cc1,CI,0
Cc1ccc(NC(=O)C(=O)C(C#N)c2ccccc2C)cc1C,CI,0
Cc1ccccc1C(C#N)C(=O)C(=O)Nc1cccc(Cl)c1,CI,0
Cc1ccccc1NC(=O)C(=O)C(C#N)c1ccccc1C,CI,0
N#CC(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1,CI,0
CC(=O)c1cccc(NC(=O)C(=O)C(C(=O)NN)c2ccccc2)c1,CI,0
COc1nc(NC2OCC(O)C(O)C2O)cc(=O)n1C,CI,0
COc1nc(NC2OC(CO)C(O)C(O)C2O)cc(=O)n1C,CI,0
CSc1nc(NC2OCC(O)C(O)C2O)cc(=O)n1C,CI,0
CSc1nc(NC2OC(CO)C(O)C(O)C2O)cc(=O)n1C,CI,0
CSc1nc(NC2OCC(O)C(O)C2O)c(N)c(=O)n1C,CI,0
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1C,CI,0
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1C,CI,0
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(C(=O)CCl)c(=O)n1C,CI,0
COc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(C(=O)CCl)c(=O)n1C,CI,0
CCCCNc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=O)c(=O)n1C,CI,0
COC(=O)c1ncn(Cc2ccccc2)c1N,CI,0
N#Cc1ncn(Cc2ccccc2)c1N,CI,0
N#Cc1c(C(N)=O)ncn1Cc1ccccc1,CI,0
NCc1c(C(N)=O)ncn1Cc1ccccc1,CI,0
CC(=O)NCc1c(C(N)=O)ncn1Cc1ccccc1,CI,0
NC(=O)NCc1c(C(N)=O)ncn1Cc1ccccc1,CI,0
NC(=O)c1ncn(Cc2ccccc2)c1CNC(N)=S,CI,0
CCONC(=N)c1ncn(Cc2ccccc2)c1NCC(OCC)OCC,CI,0
COC(=N)c1ncn(Cc2ccccc2)c1N,CI,0
NC(=O)C(=O)c1ncn(Cc2ccccc2)c1N,CI,0
O=C1C(N=Nc2ccccc2)Sc2nc3ccccc3n21,CI,0
Cc1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0
Cc1cccc(N=NC2Sc3nc4ccccc4n3C2=O)c1,CI,0
O=C1C(N=Nc2ccc(Cl)cc2)Sc2nc3ccccc3n21,CI,0
O=C1C(N=Nc2ccc(Br)cc2)Sc2nc3ccccc3n21,CI,0
O=C1C(N=Nc2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21,CI,0
O=C(O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0
CCOC(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0
NS(=O)(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0
CCN(CC)CCOC(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0
CN(C)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1O,CI,0
COc1ccc(-c2cc(-c3ccccc3)nc(O)c2N(C)C)cc1,CI,0
CN(C)c1c(-c2ccccc2)cc(-c2ccccc2)nc1O,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1O,CI,0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(O)n2)cc1,CI,0
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(O)n2)cc1,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccc(N)cc2)nc1O,CI,0
Cc1cc(Cl)c(O)c(-c2cc(-c3ccccc3O)c(C#N)c(N)n2)c1,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1S,CI,0
COc1ccc(-c2cc(-c3ccccc3)nc(S)c2C#N)cc1,CI,0
Brc1csnn1,CI,0
COC(=O)c1csnn1,CI,0
CNC(=S)c1nnsc1N,CI,0
CC(C)=NNc1snnc1C(N)=O,CI,0
CCOC(=O)c1nnsc1NN=C(C)C,CI,0
CCOC(=O)c1nnsc1NC(=O)NN,CI,0
NC(=O)c1nnsc1NN=O,CI,0
NC(=O)c1nnsc1NC=O,CI,0
CN(C)C(=O)c1nnsc1NN=O,CI,0
CCOC(=O)c1nnsc1NN,CI,0
c1nn2cnnc2s1,CI,0
Cc1nn2cnnc2s1,CI,0
Cc1nnc2scnn12,CI,0
CS(=O)(=O)Oc1nn2c(OS(C)(=O)=O)nnc2s1,CI,0
Cc1nn2c(C(=O)O)nnc2s1,CI,0
Cc1nnc2sc(C(=O)O)nn12,CI,0
CCOC(=O)c1nn2c(C)nnc2s1,CI,0
Cc1nnc2sc(NN)nn12,CI,0
Cc1nnc2sc(Cl)nn12,CI,0
CCOC(CNc1nn2c(C)nnc2s1)OCC,CI,0
COc1ccc(NC(=S)NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)cc1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)Nc1ccccc1Cl,CI,0
O=C1Nc2ccccc2C1=NNC(=S)Nc1cccc(Cl)c1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)Nc1ccc(Cl)cc1,CI,0
Cc1ccccc1NC(=S)NN=C1C(=O)Nc2ccccc21,CI,0
Cc1cccc(NC(=S)NN=C2C(=O)Nc3ccccc32)c1,CI,0
Cc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc32)cc1,CI,0
COc1ccccc1NC(=S)NN=C1C(=O)Nc2ccccc21,CI,0
O=C1Nc2ccccc2C1=NNC(=S)Nc1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc32)cc1,CI,0
CN1C(=O)C(=NNC(N)=S)c2ccccc21,CI,0
CCOC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)OCC,CI,0
NC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(N)=O,CI,0
N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(N)=O,CI,0
CCOP(=O)(OCC)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)OC,CI,0
CCCNC(=S)NN=C1C(=O)Nc2ccccc21,CI,0
CCN(CC)C(=S)NN=C1C(=O)Nc2ccccc21,CI,0
CNC(=N)NN=C1C(=O)Nc2ccccc21,CI,0
CC(=O)NC(=NN=C1C(=O)Nc2ccc(C)cc21)NC(C)=O,CI,0
CCOC(=O)C(=O)NN=C1C(=O)Nc2ccccc21,CI,0
N=C(N)Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CC(=N)N)cc3)cc2)cc1,CI,0
CN=C(NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NC)c(C)c3)cc2)cc1C,CI,0
N=C(NN)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)NN)cc3)cc2)cc1,CI,0
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1,CI,0
CNC(=NCCCOC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCCCOC)NC)cc3)c([N+](=O)[O-])c2)cc1,CI,0
CCN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCC)N(CC)CC)cc3)cc2)cc1)N(CC)CC,CI,0
N=C(N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)N)cc3)c(N)c2)cc1,CM,1
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1.Cl,CI,0
CCN(CCCl)c1cc(C[N+](C)(C)[O-])cc(NC(=O)c2ccc(C(=O)Nc3cc(C[N+](C)(C)[O-])cc(N(CC)CCCl)c3)cc2)c1,CI,0
C[N+](C)([O-])Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C[N+](C)(C)[O-])c3)cc2)c1,CI,0
C=C(C)CN(CC(=C)C)C(=N)OCC1CCCO1,CI,0
COC1OC(CO)C(N=C(C)C)C1O,CI,0
COC1OC(CS)C(N)C1OS(C)(=O)=O,CI,0
NCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O,CI,0
CC1(C)OCCC1[Si](C)(C)C,CI,0
C[As+](C)(C)CC1OC(OCC(O)COS(=O)(=O)[O-])C(O)C1O,CI,0
C=CCCCCCCCC(O)C1CC(O)C(CCCCC)O1,CI,0
COC1OC(CO)C(O)C1N,CI,0
O=P(O)(O)CC1OC(CO)C(O)C1O,CI,0
CON(C)C(=O)C1CCCO1,CI,0
Nc1ccc(S(=O)(=O)NC(CSSCC(NS(=O)(=O)c2ccc(N)cc2)C(=O)O)C(=O)O)cc1,CI,0
Cc1ccc(S(=O)(=O)NC(CSSCC(NS(=O)(=O)c2ccc(C)cc2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1,CI,0
O=S(=O)(NCCSSCCNS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1,CI,0
COc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(OC)cc2)cc1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Nc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(N)cc2)cc1,CI,0
CCCCCc1cc(O)cc2c1Oc1cc(O)cc(C(=O)CCCC)c1C(=O)O2,CI,0
COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2,CI,0
CC=C(C)c1cc(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2,CI,0
CC=C(C)c1cc(OC)c(C)c2c1C(=O)Oc1c(C)c(O)c(Cl)c(C(C)=CC)c1O2,CI,0
COc1cc(C)c2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2,CI,0
COc1c(C)c2c(c(C)c1Cl)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2,CI,0
CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2,CI,0
COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(O)c(C=O)c1O2,CM,1
Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2,CI,0
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2,CI,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CI,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CI,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.O=C(O)CCC(=O)O,CI,0
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CI,0
NC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CI,0
CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,CI,0
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CI,0
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,CI,0
CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1,CI,0
FC(F)(F)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2,CI,0
O=C(O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O,CI,0
O=c1ccc(=O)n(-c2ccccc2)[nH]1,CI,0
O=c1cc(Cl)c(=O)n(-c2ccccc2)[nH]1,CI,0
O=c1[nH]n(-c2ccccc2)c(=O)cc1Cl,CI,0
O=c1ccc(=O)n(-c2ccc(Br)cc2)[nH]1,CI,0
O=c1ccc(=O)n(-c2ccc(Cl)cc2)[nH]1,CI,0
CCOC(=O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O,CI,0
N#Cc1cccc(-n2[nH]c(=O)ccc2=O)c1,CI,0
CCOC(=O)c1ccc(-n2[nH]c(=O)ccc2=O)cc1,CI,0
NNc1c(Cl)c(=O)n(-c2ccccc2)[nH]c1=O,CI,0
CC(=O)N1C(=O)C(=O)c2ccccc21,CI,0
CN(CC(O)C(O)C(O)C(O)CO)CN1C(=O)C(=O)c2ccccc21,CI,0
Cc1cc2c(cc1C)C(=O)C(=O)N2,CI,0
CCN(CC)CN1C(=O)C(=O)c2ccccc21,CI,0
O=C(O)CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21,CI,0
CCOC(=O)CN1C(=O)C(=O)c2ccccc21,CI,0
CC(=O)N1C(=O)C(=O)c2cc(Cl)ccc21,CI,0
O=C1Nc2cc(F)ccc2C1=O,CI,0
O=C1Nc2c(ccc(Cl)c2I)C1=O,CI,0
O=C1Nc2ccc(Cl)c(I)c2C1=O,CI,0
Oc1ncnc2[nH]ncc12,CI,0
Cc1nc(N)c2cnn(C)c2n1,CI,0
CCCCCCCCSc1ncnc2[nH]ncc12,CI,0
CN(N)c1ncnc2c1cnn2C,CI,0
CNNc1ncnc2c1cnn2C,CI,0
Cn1ncc2c(O)ncnc21,CI,0
CS(=O)(=O)c1n[nH]c2nc(O)nc(O)c12,CI,0
CSc1ncnc2c1cnn2CCCCO,CI,0
CNc1ncnc2c1cnn2CCCCO,CI,0
CSc1nc(S)nc2[nH]nc(C)c12,CI,0
c1ccc2nsnc2c1,CI,0
Clc1ccc2nsnc2c1,CI,0
O=[N+]([O-])c1ccc2nsnc2c1,CI,0
O=[N+]([O-])c1c(Cl)ccc2nsnc12,CI,0
Cc1ccc2nsnc2c1[N+](=O)[O-],CI,0
Cc1cc(Br)c2nsnc2c1[N+](=O)[O-],CI,0
COc1cc(Br)c2nsnc2c1,CI,0
N=C(N)SCc1ccc2nsnc2c1,CI,0
O=[N+]([O-])c1cccc2nsnc12,CI,0
CI.CN(C)C=Nc1cccc2nsnc12,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cccc(Cl)c1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1ccc(Cl)cc1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1,CI,0
COc1ccccc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1,CI,0
COc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)cc1,CI,0
CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)c1,CI,0
COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1,CI,0
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cc(Cl)ccc1Cl,CI,0
Nc1ccccc1C(=O)NNC(=O)c1ccccc1N,CI,0
O=C(NNC(=O)c1ccccc1O)c1ccccc1O,CI,0
Nc1ccccc1C(=O)NNC(=O)c1ccccc1O,CI,0
O=C(NNC(=O)c1ccccc1O)c1ccc(O)cc1,CI,0
O=C(NNC(=O)c1ccccc1O)c1cccc(Br)c1,CI,0
O=C(NNC(=O)c1ccccc1Cl)c1ccccc1O,CI,0
O=C(NNC(=O)c1ccccc1Cl)c1ccccc1Cl,CI,0
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(NNC(=O)c1ccccc1S)c1ccccc1S,CM,1
O=C(NNC(=S)Nc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CI,0
Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1,CI,0
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,CI,0
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12,CI,0
COc1ccccc1NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12,CI,0
COc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,CI,0
O=C(NNC(=S)Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12,CI,0
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C,CI,0
O=c1c2cc(S(=O)(=O)Nc3ccccc3)ccc2ncn1NS(=O)(=O)c1ccccc1,CI,0
COc1ccccc1NS(=O)(=O)c1ccc2ncn(NS(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1,CI,0
COc1ccc(NS(=O)(=O)c2ccc3ncn(NS(=O)(=O)c4ccc(I)cc4)c(=O)c3c2)cc1,CI,0
O=c1c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2ncn1NS(=O)(=O)c1ccc(Br)cc1,CI,0
Cc1ccccc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,CI,0
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2c1=O,CI,0
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3nc(C)n(NS(=O)(=O)c4ccc(NC(C)=O)cc4)c(=O)c3c2)cc1,CI,0
CC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(C)n(NS(=O)(=O)c3ccccc3C(C)=O)c(=O)c2c1,CI,0
COc1ccc(OC)c(NS(=O)(=O)c2ccc3nc(C)n(NS(=O)(=O)c4cc(OC)ccc4OC)c(=O)c3c2)c1,CI,0
CN1C(=O)C(O)CC1c1ccccc1,CI,0
CN1C(=O)C(O)CC1c1ccc(F)cc1,CI,0
CCOC(=O)CC1C(O)C(=O)N(C)C1c1ccccc1,CI,0
COc1ccc(NC(C)=O)cc1C1CCC(=O)N1,CI,0
CN1C(=O)C(O)CC1c1ccccc1F,CI,0
CN1C(=O)C(O)CC1c1cccc(F)c1,CI,0
CN1C(=O)C(O)CC1c1ccccc1C(F)(F)F,CI,0
CN1C(=O)C(O)CC1c1cccc(C(F)(F)F)c1,CI,0
CN1C(=O)C(O)CC1c1ccc(C(F)(F)F)cc1,CI,0
CCOC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0
O=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0
COc1cc(OC)cc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)c1,CI,0
COc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0
COc1cc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)O,CI,0
N#Cc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0
Fc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0
Cc1nc2ccc(NC3OC(CO)C(O)C(O)C3O)cc2c(=O)n1-c1ccccc1,CI,0
CC(=O)OCC1OC(Nc2ccc3nc(C)n(-c4ccccc4)c(=O)c3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1nc2ccc(NC3OCC(O)C(O)C3O)cc2c(=O)n1-c1ccccc1,CI,0
Cc1cccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)c1,CI,0
COc1ccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)cc1,CI,0
COc1ccc(-n2c(C)nc3ccc(NC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3c2=O)cc1,CI,0
CC(=O)OCC1OC(Nc2ccc3nc(C)n(-c4cccc(C)c4)c(=O)c3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-n2c(C)nc3ccc(NC4OCC(O)C(O)C4O)cc3c2=O)cc1,CI,0
COc1ccc(-n2c(C)nc3ccc(NC4OCC(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3c2=O)cc1,CI,0
CC(=O)Oc1ccc2c(-c3ccccc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1,CI,0
O=c1oc2ccccc2c(-c2ccc(O)cc2)c1Oc1ccccc1,CI,0
O=c1oc2ccccc2c(-c2ccc(O)cc2)c1Oc1ccc(Cl)cc1,CI,0
COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccccc3)c(=O)oc2c1,CI,0
COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1,CI,0
CN(C)CCOc1ccc(-c2c(Oc3ccccc3)c(=O)oc3ccccc23)cc1,CI,0
CN(C)CCOc1ccc(-c2c(Oc3ccc(Cl)cc3)c(=O)oc3ccccc23)cc1,CI,0
COc1ccc2c(-c3ccc(OCCN(C)C)cc3)c(Oc3ccccc3)c(=O)oc2c1,CI,0
COc1ccc2c(-c3ccc(OCCN(C)C)cc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1,CI,0
COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,CI,0
CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,CI,0
CC(C)(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,CI,0
NC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,CM,1
CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C,CI,0
CC(C)(C)OC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1,CI,0
COC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1Cl,CI,0
CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1Cl,CI,0
COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1O,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccccc2oc1=O,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0
Cc1ccc2oc(=O)c(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2c1,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Cl)ccc2oc1=O,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Br)cc(Br)c2oc1=O,CI,0
CCN(CC)c1ccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2c1,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccc(O)cc2oc1=O,CI,0
CCCCCCc1cc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2cc1O,CI,0
C=CCc1cccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc12,CI,0
CC(NNC(=O)c1ccncc1)c1ccccc1,CI,0
CC(NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1,CI,0
CC(NNC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1,CI,0
CC(NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl,CI,0
COc1ccc(C(C)NNC(=O)c2ccncc2)cc1F,CI,0
COc1ccc(C(C)NNC(=O)c2ccncc2)c(OC)c1,CI,0
COc1ccc(C(C)NNC(=O)c2ccncc2)cc1OC,CI,0
CC(NNC(=O)c1ccncc1)c1ccc(F)cc1,CI,0
O=C(NNC(c1ccccc1)C(F)(F)F)c1ccncc1,CI,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2,CI,0
CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCCC4)CCCC2,CI,0
O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCCC4)CCCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C(C)=O)c4C1)CCCC5)C3)CCCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2,CI,0
CCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2,CI,0
O=C(c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2)C(Br)Br,CI,0
Cc1ccc2cc(NC(=O)CBr)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(NC(=O)CBr)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
CC(=O)Nc1cc2ccc(C)[n+]3c2c2c1ccc(C)[n+]2[Cu-3]31[n+]2c(C)ccc3cc(NC(C)=O)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1ccc2cc(N)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(N)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1c(C)c2ccc3c(C)c(C)c(C)[n+]4c3c2[n+](c1C)[Cu-3]41[n+]2c(C)c(C)c(C)c3ccc4c(C)c(C)c(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1ccc2cc(NC(=O)CN)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(NC(=O)CN)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1ccc2cc([N+](=O)[O-])c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc([N+](=O)[O-])c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1ccc2ccc3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3ccc4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1c[n+]2c3c(ccc4c(C)c(C)c(C)[n+](c43)[Cu-3]23[n+]2cc(C)c(C)c4ccc5c(C)c(C)c(C)[n+]3c5c42)c1C.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1c[n+]2c3c(ccc4c(C)c(C)c[n+](c43)[Cu-3]23[n+]2cc(C)c(C)c4ccc5c(C)c(C)c[n+]3c5c42)c1C.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
COc1cc2c(cc1OC)C1c3ccccc3CCN1CCC2.[O-][Cl+3]([O-])([O-])O,CI,0
COc1ccc2c(c1)CCCN1CCc3cc(OC)c(OC)cc3C21,CI,0
COc1ccc2c(c1)CCCN1CCc3ccccc3C21.Cl,CI,0
c1ccc2c(c1)CCCN1CCc3ccccc3C21,CI,0
COc1cc2c(cc1OC)C1c3ccccc3CCCN1CC2,CI,0
COc1ccc2c(c1)C1c3cc(OC)c(OC)cc3CCN1CCC2,CI,0
COc1ccc2c(c1)CCN1CCCc3ccccc3C21.Cl,CI,0
COc1ccc2c(c1)C1c3ccccc3CCN1CCC2,CI,0
COc1ccc2c(c1)CCN1CCCc3ccc(OC)cc3C21,CI,0
COC(=O)N1C2C(CC1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1,CI,0
COC(=O)C1CC2c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0
COC(=O)C1CC2(Br)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0
C=CCC12CC(C(=O)OC)N(C(=O)OC)C1N(S(=O)(=O)c1ccccc1)c1ccccc12,CI,0
COC(=O)C1CC2(CC=O)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0
COC(=O)C1CC2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0
COC(=O)N1CCC2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)C12,CI,0
CC(C)=CCC12CCNC1N(S(=O)(=O)c1ccccc1)c1ccccc12,CI,0
CC(C)=CCC12CCN(C)C1N(S(=O)(=O)c1ccccc1)c1ccccc12,CI,0
Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1)SC(=N)N2,CM,1
Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1O)SC(=N)N2,CI,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1,CI,0
Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccncc2)c2c1C(c1cccc([N+](=O)[O-])c1)SC(=N)N2,CI,0
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1OC,CM,1
Cc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1,CI,0
CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc(Cl)c1Cl)S2.[Cl-],CI,0
CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc(OC)c1O)S2.[Cl-],CI,0
CC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccccc1Cl)S2,CM,1
CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccccc1Cl)S2.[ClH2+],CI,0
CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)S2.[Cl-],CI,0
Cc1csc2[n+]1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)S2.[Cl-],CI,0
CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1ccc(OC)c(OC)c1)S2.[Cl-],CI,0
CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)S2.[Cl-],CI,0
COc1cccc(C=C2Sc3sc(C(C)=O)c(C)[n+]3C2=O)c1O.[Cl-],CM,1
O=C(CNc1ccccc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1cccc(Cl)c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1ccc(Cl)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1ccccc1[N+](=O)[O-])Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1,CI,0
COc1ccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C(CNc1ccc(Cl)cc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccccc2O)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(O)cc2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc(O)c2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc([N+](=O)[O-])cc2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc([N+](=O)[O-])c2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(Cl)cc2)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc(Cl)c2)n1,CI,0
COc1ccc(C2C(=O)C(Cl)N2Nc2nc(C)cc(O)n2)cc1OC,CI,0
COc1cc(C2C(=O)C(Cl)N2Nc2nc(C)cc(O)n2)cc(OC)c1OC,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccccc1O,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccc(O)cc1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1cccc(O)c1,CI,0
COc1cc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)ccc1O,CI,0
COc1ccc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc1OC,CI,0
COc1cc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc(OC)c1OC,CI,0
COc1ccccc1C=C1C(=O)N(C(=O)Cc2ccccc2)N=C1C,CI,0
COc1cccc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)c1,CI,0
O=Cc1c(O)ccc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c12,CI,0
c1ccc2c(-c3cccc4ccccc34)cccc2c1,CI,0
COc1ccc2ccccc2c1-c1cccc2ccccc12,CI,0
COc1cc(-c2cc(OC)c(OC)c3ccc(Br)cc23)c2cc(Br)ccc2c1OC,CI,0
COc1cc(C)cc2c(-c3ccc(O)c4c(OC)cc(C)cc34)ccc(O)c12,CI,0
O=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F,CI,0
COc1c(Br)cc2ccccc2c1-c1c(OC)c(Br)cc2ccccc12,CI,0
CCOC(=O)C(C#N)=Cc1ccc2c(-c3c(OCC)ccc4cc(C=C(C#N)C(=O)OCC)ccc34)c(OCC)ccc2c1,CI,0
CS(=O)(=O)Nc1ccc2ccccc2c1-c1c(NS(C)(=O)=O)ccc2ccccc12,CI,0
COc1ccc(C2C(C)C3C(=O)C=CC(=O)C32)cc1OC,CI,0
COC1=CC(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O,CI,0
COC1=CC(=O)C2C(C)C(c3ccc(Cl)cc3)C2C1=O,CI,0
COC1=CC(=O)C2C(C)C(c3ccccc3)C2C1=O,CI,0
COC1=C(C)C(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O,CI,0
COC1=CC(=O)C2C(C)C(c3ccccc3)C2(C)C1=O,CI,0
COC1=CC(=O)C2(C)C(C)C(c3ccccc3)C2C1=O,CI,0
COC1=CC(=O)C2(C)C(C1=O)C(C)C2c1ccccc1,CI,0
COC1=CC(=O)C2(C)C(C1=O)C(C)C2c1ccc(OC)cc1,CI,0
CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(=S)n(-c3ccc(C)cc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1COC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1COC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1COC(n2c(=S)n(-c3ccc(C)cc3)c(=O)c3ccccc32)C(OC(C)=O)C1OC(C)=O,CI,0
O=c1c2cc(Br)ccc2n(C2OC(CO)C(O)C(O)C2O)c(=S)n1-c1ccccc1,CI,0
Cn1ccnc1CCc1ccc(Cl)cc1Cl,CI,0
Brc1ccccc1CCc1ncc[nH]1,CI,0
Brc1ccc(CCc2ncc[nH]2)cc1,CI,0
COc1ccc(CCc2ncc[nH]2)cc1,CI,0
COc1ccc(CCc2ncc[nH]2)cc1OC,CI,0
Cl.Cn1ccnc1CCc1ccc(Cl)c(Cl)c1,CI,0
Cl.Cn1ccnc1CCc1c(Cl)cccc1Cl,CI,0
Cn1ccnc1CCc1ccc(F)cc1F,CI,0
COc1ccc(CCc2nccn2C)cc1OC,CI,0
CCN(CC)CC(=O)NC1c2ccccc2Oc2ccccc21,CI,0
CCN(CC)CCC(=O)NC1c2ccccc2Oc2ccccc21,CI,0
Cc1cccc2c1Oc1ccccc1C2NC(=O)CN(C)C,CI,0
CCN(CC)CC(=O)NC1c2ccccc2Oc2c(C)cccc21,CI,0
CCN(CC)CCC(=O)NC1c2ccccc2Oc2c(C)cccc21,CI,0
Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CN(C)C,CI,0
CCN(CC)CC(=O)NC1c2ccc(Cl)cc2Oc2c(C)cccc21,CI,0
Cc1cccc2c1Oc1ccccc1C2NC(=O)CCN(C)C,CI,0
CCN(CC)CCC(=O)NC1c2ccc(Cl)cc2Oc2c(C)cccc21,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc2c(c1)OCO2,CI,0
CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc2c(c1)OCO2,CI,0
CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc2c(c1)OCO2,CI,0
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccc2c(c1)OCO2,CI,0
CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2c(C)cccc2C)=C(C)N1,CI,0
CCc1cccc(CC)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc2c(c1)OCO2,CI,0
O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccccc1,CI,0
Cc1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
COc1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(Cl)cc1,CI,0
CC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(C(=O)O)cc1,CI,0
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
N=CNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
CC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CM,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCO)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NC(CO)(CO)CO)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCCN(CCO)CCO)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NNCCO)cccc34)cc2)n1,CI,0
COc1cccc2c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1,CI,0
CCOC(=O)C1SC(=Nc2ccc(C)c(C)c2)N=C1C,CI,0
CCOC(=O)C1SC(=Nc2ccc(Cl)c(Cl)c2)N=C1C,CI,0
CCOC(=O)C1SC(=Nc2ccc(Cl)cc2)N=C1C,CI,0
CCOC(=O)C1SC(=Nc2ccccc2)N=C1C,CI,0
CCOC(=O)C1SC(=Nc2cccc(Cl)c2C)N=C1C,CI,0
CCOC(=O)C1SC(=Nc2ccc(OC)c(OC)c2)N=C1C,CI,0
CCOC(=O)CC1=NC(=Nc2cc(Cl)ccc2Cl)SC1,CI,0
CCOC(=O)C1SC(=Nc2ccc(Cl)cc2Cl)N=C1C,CI,0
CCOC(=O)C1SC(=Nc2ccc(Cl)cc2C)N=C1C,CI,0
COc1ccc(N)c(CC2c3ccccc3CCN2C)c1.Cl,CI,0
COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(C(=O)O)cc1OC,CI,0
COc1cc2c(cc1OC)C(C(O)c1ccccc1)NCC2,CI,0
CC(C)(C)C(=O)N1C(C(=O)O)Cc2ccccc2C1Cc1ccccc1,CI,0
COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1Br,CI,0
COc1cc(Br)c(CC2NCCc3cc(OC)c(OC)cc32)cc1OC,CI,0
COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)ccc1O,CI,0
COc1ccc(CC2c3c(cc(OC)c(OC)c3OC)CCN2C)cc1OC.Cl,CI,0
COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1,CI,0
N=c1ccn(C=C=CCO)c(=O)[nH]1,CA,1
N=c1ccn(CCO)c(=O)[nH]1,CI,0
C=CCOCn1ccc(=N)[nH]c1=O,CI,0
N=c1ccn(CC(=O)NCCO)c(=O)[nH]1,CI,0
N=c1ccn(CC(=O)NCCCO)c(=O)[nH]1,CI,0
N=c1ccn(CC(=O)NCCCCO)c(=O)[nH]1,CI,0
N=C(N)NCCCC(NC(=O)OCCCCn1ccc(=N)[nH]c1=O)C(=O)O,CI,0
N=C(N)NCCCC(NC(=O)OCCCCCn1ccc(=N)[nH]c1=O)C(=O)O,CI,0
N=C(N)NCCCC(NC(=O)OCCCCCCn1ccc(=N)[nH]c1=O)C(=O)O,CI,0
CC(=O)N1C(C(=O)O)CSC1c1ccc(F)cc1,CI,0
CC1(C)SC(c2ccccc2C(=O)O)NC1CC(=O)O,CI,0
CCOC(=O)NNC(=O)C1CSC(c2ccccc2)N1C(C)=O,CI,0
O=C(O)C1CSC(c2ccccc2Cl)N1,CI,0
O=C(O)C1CSC(c2ccc(Cl)cc2)N1,CI,0
O=C(O)C1CSC(c2ccc(Br)cc2)N1,CI,0
O=C(O)C1CSC(c2ccccc2F)N1,CI,0
O=C(O)C1CSC(c2cccc(F)c2)N1,CI,0
O=C(O)C1CSC(c2ccc(C(F)(F)F)cc2)N1,CI,0
COc1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1,CI,0
O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21,CI,0
Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O,CI,0
O=C1C(c2ccccc2)=[N+]([O-])c2ccc(Cl)cc21,CI,0
Cc1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1,CI,0
O=C1C(c2ccc(Cl)cc2)=[N+]([O-])c2ccccc21,CI,0
O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])ccc21,CI,0
O=C1C(c2ccc(Br)cc2)=[N+]([O-])c2ccccc21,CI,0
O=C1C(c2ccc([N+](=O)[O-])cc2)=[N+]([O-])c2ccc([N+](=O)[O-])cc21,CI,0
NC1=C(C(=O)O)C(=O)C(Nc2c(O)cccc2C(=O)O)=CC1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2I)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2F)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2)C1=O,CI,0
CC(C)=CCCC(C)C1=C(Nc2ccccc2F)C(=O)C(C)=C(O)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Cl)C1=O,CI,0
CC(C)=CCCC(C)C1=C(Nc2ccccc2)C(=O)C(C)=C(O)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Br)C1=O,CI,0
CC(C)=CCCC(C)C1=C(Nc2ccccc2Cl)C(=O)C(C)=C(O)C1=O,CI,0
O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(Cl)c1,CI,0
O=C(Cc1nc2ccccc2o1)C(=O)Nc1ccccc1C(F)(F)F,CI,0
O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0
CCc1cccc(C(C)CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0
CCc1cccc(CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0
CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0
Cc1ccc(NC(=O)C(=O)Cc2nc3ccccc3o2)c(C)c1,CI,0
O=C(Cc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
Cc1c(NC(=O)CCl)c(=O)oc2c(C)c3occc(=O)c3cc12,CI,0
Cc1c(NC(=O)CCCl)c(=O)oc2c(C)c3occc(=O)c3cc12,CI,0
Cc1c([N+](=O)[O-])c(=O)oc2cc3occc(=O)c3cc12,CI,0
Cc1c([N+](=O)[O-])c(=O)oc2c(C)c3occc(=O)c3cc12,CI,0
Cc1c(N)c(=O)oc2cc3occc(=O)c3cc12,CI,0
Cc1c(CCl)c(=O)oc2c(C)c3occ(CCl)c(=O)c3cc12,CI,0
Cc1c(C)c2cc3c(=O)ccoc3c(C)c2oc1=O,CI,0
Cc1c(C)c2cc3c(=O)c(CCl)coc3c(C)c2oc1=O,CI,0
Cc1c(NC(=O)C(C)(C)Br)c(=O)oc2c(C)c3occc(=O)c3cc12,CI,0
CCN1CCC(O)(C=Cc2ccccc2)C(C(=O)C=Cc2ccccc2)C1.Cl,CI,0
CCN1CCC(O)(C=Cc2ccc(Cl)cc2)C(C(=O)C=Cc2ccc(Cl)cc2)C1.Cl,CI,0
CCN1CCC(O)(C=Cc2ccc(C)cc2)C(C(=O)C=Cc2ccc(C)cc2)C1.Cl,CI,0
CCN1CCC(O)(C=Cc2ccc(Cl)c(Cl)c2)C(C(=O)C=Cc2ccc(Cl)c(Cl)c2)C1.Cl,CI,0
CCN1CCC(O)(C=Cc2ccc(OC)cc2)C(C(=O)C=Cc2ccc(OC)cc2)C1.Cl,CI,0
CCc1ccc(C=CC(=O)C2CN(CC)CCC2(O)C=Cc2ccc(CC)cc2)cc1.Cl,CI,0
CCN1CCC(O)(C=Cc2cccc(C)c2)C(C(=O)C=Cc2cccc(C)c2)C1.Cl,CI,0
CCN1CCC(O)(C=Cc2ccc(C)cc2C)C(C(=O)C=Cc2ccc(C)cc2C)C1.Cl,CI,0
CCN1CCC(O)(C=Cc2ccc(C(C)C)cc2)C(C(=O)C=Cc2ccc(C(C)C)cc2)C1.Cl,CI,0
O=[N+]([O-])c1ccccc1S(=O)c1ccccc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccccc1S(=O)c1ccccc1,CM,1
Cc1ccc(S(=O)c2ccccc2[N+](=O)[O-])cc1,CM,1
O=S(c1ccccc1)c1ccccc1,CI,0
Nc1ccccc1S(=O)c1ccccc1,CI,0
CC(=O)Nc1ccccc1S(=O)c1ccccc1,CI,0
CC(=O)Nc1ccc(S(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
COc1ccc(S(=O)c2ccc(OC)cc2)cc1,CI,0
CN(C)c1ccc(S(=O)c2ccc(N(C)C)cc2)cc1,CI,0
Cc1cc(C)c2c(c1N)C(=O)CCO2,CI,0
COc1ccc2c(c1OC)OCC(CN(C)C)C2=O.Cl,CI,0
CCOC(=O)COc1cccc2c1C(=O)CCO2,CI,0
CC1(C)CC(=O)c2c(ccc(C(=O)CC(N)CO)c2N)O1,CI,0
CCCCCCCCCC1CC(=O)c2c(O)cccc2O1,CI,0
CC1Oc2cc(O)cc(O)c2C(=O)C1C,CI,0
CC1(CO)COc2ccccc2C1=O,CI,0
COc1cc(O)c2c(c1)OC(C)C(C)C2=O,CI,0
CC1CC(=O)c2ccccc2O1,CI,0
NCCn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
Nn1c(-c2ccccc2Cl)nc2ccccc2c1=O,CI,0
Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O,CI,0
Nn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccccc2c1=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccc(C)cc2)nc2ccccc2c1=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccc(Br)cc2c1=O,CI,0
CCCCNC(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CCOC(=O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C,CI,0
CCOC(=O)CC(=O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C,CI,0
COC(=O)c1c(C)oc2ccc(OC(C)=O)cc12,CI,0
O=C(O)CCc1coc2ccc(O)cc12,CI,0
COc1ccc2occ(CCC(=O)O)c2c1,CI,0
Cc1c(C(=O)O)oc2ccc([N+](=O)[O-])cc12,CI,0
COc1c(C(=O)O)oc2c(OC)cccc12,CI,0
Cc1c(C(=N)N)oc2ccccc12.Cl,CI,0
C#CC(O)Cc1ccc(OC)c2occc12,CI,0
CC(=O)OC1OC(=O)C(C)(C(C)=O)C1C,CI,0
CCOP(=O)(OCC)C1CC(C)OC1=O,CI,0
CCCCCCCCC=CCCCCCCCC1CC(O)C(=O)O1,CI,0
CC1(O)CC(C(F)(F)F)(C(F)(F)F)OC1=O,CI,0
CN(O)C1CC(=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
CC(=O)ON(C)C1CC(=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0
CS(=O)(=O)CCC1CCC(=O)O1,CI,0
CCOC(C)OC1C(=O)OCC1(C)C,CI,0
C#CCCCC(=C)CC1OC(=O)C(C)C1O,CI,0
COc1ccc2c(c1)OC1c3ccc(O)cc3OCC21,CI,0
COc1ccc2c(c1)OCC1c3cc(O)c(O)cc3OC21,CI,0
CC(C)=CCc1c(O)ccc2c1OC1c3ccc(O)c(CC=C(C)C)c3OCC21,CI,0
COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21,CI,0
COc1cc2c(cc1O)C1COc3ccccc3C1O2,CI,0
COc1cc2c(c(C)c1O)C1COc3ccccc3C1O2,CI,0
COc1ccc2c(c1)OC(C)(C)C1c3c(cc(OC)c(O)c3C)OC21,CI,0
COc1ccc2c(c1)OC1c3ccccc3OCC21,CI,0
Oc1ccc2c(c1)OCC1c3ccccc3OC21,CI,0
O=c1oc2ccccc2c(O)c1Oc1ccccc1,CI,0
COc1cccc(Oc2c(O)c3ccc(OC)cc3oc2=O)c1,CI,0
COc1ccc2c(O)c(Oc3ccccc3)c(=O)oc2c1,CI,0
CC(=O)Oc1ccc2cc(Oc3ccccc3)c(=O)oc2c1,CI,0
CC(=O)Oc1ccc2cc(Oc3ccc(Cl)cc3)c(=O)oc2c1,CI,0
CC(=O)Oc1ccc2cc(Oc3ccc(Cl)c(Cl)c3)c(=O)oc2c1,CI,0
CC(=O)Oc1ccc2cc(Oc3cc(Cl)c(Cl)cc3Cl)c(=O)oc2c1,CI,0
COc1ccc2cc(Oc3ccc(Cl)cc3)c(=O)oc2c1,CI,0
COc1ccc2c(O)c(Oc3ccc(Cl)cc3)c(=O)oc2c1,CI,0
Cc1c(N=O)c(=O)n(-c2ccccc2)n1C,CI,0
CCCN(CCC)C(=O)C(=O)c1c(N)[nH]n(-c2ccccc2)c1=O,CI,0
O=c1cc(CC(O)(C(F)(F)Cl)C(F)(F)Cl)[nH]n1-c1ccccc1,CI,0
Cc1c(NC(=O)CSC(=S)N(C)C)c(=O)n(-c2ccccc2)n1C,CI,0
CC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O,CI,0
CCOC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O,CI,0
CCOC(=O)C(C#N)=CNc1c(C)n(C)n(-c2ccccc2)c1=O,CI,0
Cc1c(NC=C(C#N)C#N)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(NC(=S)NN)c(=O)n(-c2ccccc2)n1C,CI,0
COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2Br)cc1OC,CI,0
COc1ccc(CC(=O)NC(C)Cc2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1ccc(CC(=O)NCCc2ccc(OC)c(OC)c2)cc1Br,CI,0
O=C(Cc1ccccc1)NCCc1ccc(O)c(O)c1,CI,0
COc1ccc(CCNC(=O)Cc2ccccc2CCO)cc1OC,CI,0
COc1cccc(CCNC(=O)Cc2ccccc2CCO)c1,CI,0
O=C(Cc1ccccc1CCO)NCCc1ccccc1,CI,0
COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2CO)cc1OC,CI,0
COc1ccc(CCNC(=O)Cc2ccccc2CO)cc1OC,CI,0
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1,CI,0
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C2C(C(C)=O)=C(C)NC(C)=C2C(C)=O)cc1,CI,0
COC(=O)C1=C(C=CC(C)=O)NC(C)=C(C(=O)OC(C)C)C1c1ccccc1Cl,CI,0
COc1ccc(C2C(C#N)=C(O)NC(O)=C2C#N)cc1OC,CI,0
N#CC1=C(O)NC(O)=C(C#N)C1c1c(Cl)cccc1Cl,CI,0
N#CC1=C(Cl)NC(Cl)=C(C#N)C1c1ccc(Cl)cc1,CI,0
N#CC1=C(Cl)NC(Cl)=C(C#N)C1c1c(Cl)cccc1Cl,CI,0
N#CC1=C(O)NC(O)=C(C#N)C1c1ccc(Cl)cc1Cl,CI,0
CCCC[n+]1cc(C(N)=O)cc2ccccc21,CI,0
[O-][n+]1ccc(S)c2ccccc21,CI,0
NS(=O)(=O)c1cc[n+]([O-])c2ccccc12,CI,0
COC(=O)C(O)=C(C(=O)OC)[n+]1cc(Br)cc2ccccc21,CI,0
CC(=O)N(C)c1ccc2c(ccc[n+]2[O-])c1[N+](=O)[O-],CI,0
CN(C)CCCNc1cc[n+](C)c2cccc([N+](=O)[O-])c12.Cl.[Cl-],CI,0
CCOc1cccc2ccc[n+](CC)c12.[I-],CI,0
CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[n+]1cccc2ccccc21)COC.[I-],CI,0
CC(=O)c1cc2ccccc2[n+]([O-])c1N,CI,0
CCC1CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13,CI,0
CCC1CC2CC3c4c(c5cc(OC)ccc5n4C)CCN(C2)C13,CI,0
CCC1CC2CC3c4[nH]c5ccc(O)cc5c4CCN(C2)C13.Cl,CM,1
CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(C(=O)OC)(C2)C13,CI,0
CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13.Cl,CI,0
CCC1CC2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C(C(=O)OC)(C2)C13,CI,0
CCC1CC2CC3c4[nH]c5ccccc5c4CCN(C2)C13,CI,0
CCC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C(C(=O)OC)(C2)C13,CI,0
CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(CO)(C2)C13,CI,0
CC1(C)OC2OC(CO)C(N)C2O1,CI,0
CCCC(=O)OC1C(C(O)CO)OC2OC(C)(C)OC21,CI,0
CCOC(=O)NC1C(CC(=O)OC)OC2OC(C)(C)OC21,CI,0
CSC(=S)OC1C(CO[Si](C)(C)C(C)(C)C)OC2OC(C)(C)OC21,CI,0
CC(=O)NC1C(CO)OC2OC(C)(C)OC21,CI,0
CC1(C)OC2OC(CO)C(OS(C)(=O)=O)C2O1,CI,0
CC1(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C2O1,CI,0
CC1(C)OC2OC(CO)C(N=[N+]=[N-])C2O1,CI,0
COC(=O)CNCC1OC2OC(C)(C)OC2C1N=[N+]=[N-],CI,0
Cc1nc2c(nc1C)C(=O)C=CC2=O,CI,0
CCCc1nc2c(nc1C)C(=O)C=CC2=O,CI,0
Cc1nc2c(nc1C)C(=O)C(N)=CC2=O,CI,0
Cc1nc2c(nc1C)C(=O)C(N(C)C)=CC2=O,CI,0
CCN(CC)C1=CC(=O)c2nc(C)c(C)nc2C1=O,CI,0
Cc1nc2c(nc1C)C(=O)C(Br)=CC2=O,CI,0
Cc1nc2c(nc1C)C(=O)C(Cl)=CC2=O,CI,0
Cc1nc2c(nc1C)C(=O)C(Br)=C(N)C2=O,CI,0
Cc1nc2c(nc1C)C(=O)C(Cl)=C(N)C2=O,CI,0
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C23)C14,CI,0
CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14,CI,0
CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14,CI,0
CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,CI,0
CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O,CI,0
CCN1CC2(CO)CCC(O)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14,CI,0
CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(OC)(C5C6O)C(C(OC(C)=O)C23)C14,CI,0
CCOC12CC(OC)C3(O)CC(C1C3O)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43,CI,0
CCN1CC2(C)CCC(O)C34C5CC6CCC(O)(C(CC23)C14)C5C6O,CI,0
O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccccc2)C(=O)c2ccccc21,CI,0
CN(C)c1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)C(=O)c2ccccc21,CI,0
O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)C(=O)c2ccccc21,CI,0
O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)c(Cl)c2)C(=O)c2ccccc21,CI,0
CC(=O)Nc1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1,CI,0
COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc(OC)c1OC,CI,0
CCOc1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1OC,CI,0
COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc(Br)c1O,CI,0
CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)O)cc1,CA,1
COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(NC(=O)c2ccc(N)cc2)cc1C,CA,1
COc1cc(N=Nc2ccc(N=Nc3cc(NC(C)=O)c(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(C)c2)c(C)cc1NC(=O)c1ccc(N)cc1,CA,1
COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C,CA,1
CC(=O)Nc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)c(S(=O)(=O)O)cc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1,CA,1
CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1ccc(C(=O)O)cc1,CM,1
CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1cccc(C(=O)O)c1,CM,1
COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(C(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(NC(=O)c2ccc(N)cc2)cc1C,CM,1
COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(C(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C,CM,1
NC1(C(=O)O)CCCCC1c1ccccc1,CI,0
CC(C)COC(=N)c1ccccc1C1(O)CCCCC1,CI,0
CC(C)(C)C1CCC(O)(c2ccccc2)CC1,CI,0
CC(=NNC(N)=S)c1ccc(C2CCCCC2)cc1,CI,0
CC(=O)OC1CCCCC1c1ccccc1,CI,0
COc1ccc(C2(O)CCCCC2)cc1,CI,0
COc1ccc(C2CCC(Cl)(OC)CC2C=O)cc1,CI,0
CCN(CCO)C(=O)C1(c2ccccc2)CCCCC1,CM,1
O=NC1(c2ccccc2)CCCCC1[N+](=O)[O-],CI,0
Cc1nc2nc(S)nc(O)c2nc1O,CI,0
CNc1ncnc2nc(C)c(C)nc12,CI,0
Cc1cnc2nc(N)nc(N)c2n1,CI,0
CSc1nc(O)c2ncc(C(O)C(O)C(O)CO)nc2n1,CI,0
CSc1nc(O)c2nccnc2n1,CI,0
CSc1nc(O)c2nc(C)c(C)nc2n1,CI,0
CSc1nc(O)c2nc(C)c(O)nc2n1,CI,0
COc1nc(O)c2nc(C(O)C(O)CO)cnc2n1,CI,0
COc1nc(O)c2nc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)cnc2n1,CI,0
O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)cc2Cl)c(SCc2ccc(Cl)cc2Cl)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)c(Cl)c2)c(SCc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Br)cc2)c(SCc2ccc(Br)cc2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2Cl)c(SCc2ccccc2Cl)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)cc2)c(SCc2ccc(Cl)cc2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2F)c(SCc2ccccc2F)cnn1-c1ccccc1,CI,0
O=c1c(SCc2cccc(F)c2)c(SCc2cccc(F)c2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(F)cc2)c(SCc2ccc(F)cc2)cnn1-c1ccccc1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(O)c1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Br)c1,CM,1
CN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)cc2)cc1,CI,0
O=C(O)c1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(C(=O)O)cc1C(=O)Nc1ccc(C2=NCCN2)cc1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(F)c1,CM,1
CSc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)ccc1C(=O)Nc1ccc(C2=NCCN2)cc1,CI,0
O=C(Nc1ccc(C2=NCCN2)c(O)c1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)c(O)c2)cc1,CM,1
O=C(C=Cc1cccc(O)c1)C=Cc1cccc(O)c1,CM,1
COc1ccccc1C=CC(=O)C=Cc1ccccc1O,CI,0
O=C(C=Cc1ccccc1)C=Cc1ccccc1,CI,0
CN(C)c1ccc(C=CC(=O)C=Cc2ccc(N(C)C)cc2)cc1,CI,0
O=C(C=Cc1ccccc1)C=Cc1ccccc1O,CI,0
COc1cc(C=CC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
CC(=O)Oc1ccccc1C=CC(=O)C=Cc1ccccc1OC(C)=O,CI,0
COc1ccc(C=CC(=O)C=Cc2ccc(OC)cc2)cc1,CI,0
COc1ccc(C=CC(=O)C=Cc2ccc(OC)cc2OC)c(OC)c1,CI,0
CC1(c2ccccc2)OC(=O)c2ccccc21,CI,0
COC1(c2ccccc2)OC(=O)c2ccccc21,CI,0
CCOC(=O)C(C(=O)OCC)C1(c2ccccc2)OC(=O)c2ccccc21,CI,0
CCOC(=O)C(C)(C(=O)OCC)C1(c2ccccc2)OC(=O)c2ccccc21,CI,0
CCOC(=O)CC1(c2ccccc2)OC(=O)c2ccccc21,CI,0
CCOC1(c2ccccc2)OC(=O)c2ccccc21,CI,0
COC1(c2ccccc2C)OC(=O)c2c(C)cccc21,CM,1
COC1(c2ccc(C)cc2C)OC(=O)c2c(C)cccc21,CI,0
Cc1ccccc1C1OC(=O)c2ccccc21,CI,0
NN=C(c1ccccc1)c1cccc([N+](=O)[O-])c1,CI,0
NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
CN(C)c1ccc(C(=NN)c2ccccc2)cc1,CI,0
N=C(N)NN=C(c1ccccc1)c1ccccc1,CI,0
CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c(O)c1,CI,0
CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,CI,0
CCOP(=O)(CN=C(c1ccccc1)c1ccccc1)OCC,CI,0
COC(=O)NN=C(c1ccccc1)c1ccc(OC)cc1,CI,0
COC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
Oc1cc(-c2ccccc2)nc(S)n1,CI,0
NCCCc1c(O)nc(N)nc1-c1ccccc1,CI,0
O=C(O)CNc1cc(-c2ccccc2)nc(NCC(=O)O)n1,CI,0
CSc1nc(O)c(C#N)c(-c2ccccc2)n1,CI,0
CSc1nc(O)c(C#N)c(-c2ccc(C)cc2)n1,CI,0
CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1,CI,0
CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2)n1,CI,0
CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1,CI,0
CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1,CI,0
O=S(=O)(O)c1ccc2c(c1)Sc1cc(S(=O)(=O)O)ccc1O2,CI,0
O=C(O)Cc1cccc2c1Oc1ccccc1S2.[NaH],CI,0
CCOC(=O)CCNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCCC(=O)OCC)S2,CI,0
Cc1cc2c(c(C(=O)NCCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCCC(=O)O)S2,CI,0
COC(=O)CNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCC(=O)OC)S2,CI,0
Cc1cc2c(c(C(=O)NCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCC(=O)O)S2,CI,0
CON=Cc1ccc2c(c1)Sc1ccccc1O2,CI,0
C[S+](C)CC(=O)c1ccc2c(c1)Sc1ccccc1O2.[Cl-],CI,0
Cl.N=C(N)SCc1ccc2c(c1)Sc1ccccc1O2,CI,0
Nc1nnc2c(n1)[nH]c1ccccc12,CI,0
Sc1nnc2c(n1)[nH]c1ccccc12,CI,0
CC(=O)Nc1nnc2c3ccccc3n(C(C)=O)c2n1,CI,0
Cn1c2ccccc2c2nnc(S)nc21,CM,1
Cn1c2ccccc2c2nnc(NCCCO)nc21,CI,0
Cn1c2ccccc2c2nnc(NCCCCO)nc21,CI,0
CCn1c2ccccc2c2nnc(NCCCO)nc21,CI,0
CC(O)CCNc1nnc2c3ccccc3n(C)c2n1,CI,0
Sc1nnc2c(n1)[nH]c1ccc(Br)cc12,CI,0
O=C(O)c1ccccc1C(=O)NC(Cc1ccccc1)(C(=O)O)C(=O)O,CI,0
O=C(O)c1ccccc1C(=O)NC(Cc1cccc(NP(=O)(NCCO)NCCO)c1)C(=O)O,CA,1
COC(=O)C(NC(=O)c1ccccc1)C(c1ccc(Cl)cc1)P(=O)(OC)OC,CI,0
COC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)(NC(=O)c1ccccc1)P(=O)(OC)OC,CI,0
COC(=O)C(Cc1ccc(N(C)C)cc1)(NC(=O)c1ccccc1)P(=O)(OC)OC,CI,0
COC(=O)C(NC(=O)c1ccccc1)C(c1c(O)cc(O)cc1O)P(=O)(OC)OC,CI,0
CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(N=NN(C)C)cc1,CI,0
CNC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1,CI,0
CC(C#N)N(CCc1ccccc1)C(=O)c1ccccc1,CI,0
CCn1c(C)nc2c(N)cccc2c1=O,CI,0
Cc1nc2ccccc2c(=O)n1CC(=O)O,CI,0
CN(C)CCNC(=O)Cn1cnc2cccc([N+](=O)[O-])c2c1=O.Cl,CI,0
Cn1c(NN)nc2ccccc2c1=O,CI,0
CCn1c(SCC(=O)NNC(=S)NC)nc2ccccc2c1=O,CI,0
Nn1c(SCC(=O)O)nc2ccccc2c1=O,CI,0
NC(=O)CSc1nc2ccccc2c(=O)n1N,CI,0
CCOC(=O)CSc1nc2ccccc2c(=O)n1N,CI,0
NNC(=O)CSc1nc2ccccc2c(=O)n1N,CI,0
CCCCCN(CCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1,CI,0
CSC(=Nc1cc2ccccc2c2ccccc12)NC#N,CI,0
O=[N+]([O-])c1cc2ccc(O)cc2c2ccccc12,CI,0
N#CNC(=N)Nc1cc2ccccc2c2ccccc12,CI,0
O=[PH](O)c1cc2ccccc2c2ccccc12.[NaH],CI,0
COc1ccc2c(C(=O)O)cc3cc(OC)c(OC)cc3c2c1,CI,0
COc1ccc2c(C(=O)O)cc3ccccc3c2c1OC,CI,0
COc1c(O)c2ccccc2c2cc(O)ccc12,CI,0
O=Nc1c(Br)cc(Br)c2ccc3c(Br)cc(Br)c(N=O)c3c12,CI,0
O=C(NN=Cc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccccc1,CM,1
CN(C)c1ccc(C=NNC(=O)c2ccccc2Nc2ccccc2C(=O)NN=Cc2ccc(N(C)C)cc2)cc1,CI,0
O=C(NN=Cc1ccc(Cl)cc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1,CI,0
COc1ccc(C=NNC(=O)c2ccccc2Nc2ccccc2C(=O)NN=Cc2ccc(OC)cc2)cc1,CI,0
COc1ccc(C=NNC(=O)c2ccccc2Nc2ccccc2C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC,CI,0
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1,CI,0
O=C(NN=Cc1ccccc1O)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccccc1O,CI,0
CC(=NNC(=O)c1ccccc1Nc1ccccc1C(=O)NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1,CI,0
CC12c3c4cccc3Oc3cc(N)cc(c31)Oc1cc(N)cc(c12)O4,CI,0
Nc1cc2c3c(c1)Oc1cc(N)cc4c1C3c1c(cc(N)cc1O4)O2,CM,1
CC12c3c4ccc(C=O)c3Oc3ccc(C=O)c(c31)Oc1ccc(C=O)c(c12)O4,CI,0
CC12c3c4ccc(C=O)c3Oc3ccc(C=O)c(c31)Oc1c(C=O)ccc(c12)O4,CI,0
NC12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4,CI,0
COC(=O)C(=O)Nc1cc2c3c(c1)Oc1cccc4c1C3(C)c1c(cccc1O2)O4,CM,1
CC12c3c4cc(Br)cc3Oc3cc(Br)cc(c31)Oc1cc(Br)cc(c12)O4,CI,0
COC(=O)c1cc2c3c(c1)Oc1cc(C(=O)OC)cc4c1C3c1c(cc(C(=O)OC)cc1O4)O2,CI,0
CC(=O)Oc1ccc(C=CC(=O)OCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCCOC(=O)C=Cc1ccc(O)c(O)c1,CI,0
CC(=O)Oc1ccc(C=CC(=O)OC(C)C(C)OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0
CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(C)OC(=O)C=Cc1ccc(O)c(O)c1,CI,0
CC(=O)Oc1ccc(C=CC(=O)OC(C(=O)O)C(OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O,CM,1
O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O,CI,0
COC(=O)C(COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O,CI,0
COc1cc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc(OC)c1OC,CI,0
COc1cc(OC)cc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)c1,CI,0
COc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1)C(=O)OCC,CI,0
COC(=O)c1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1,CI,0
N#Cc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1,CI,0
Fc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1,CI,0
COc1cc(OCc2ccc3nc(-c4ccccc4)c(N)nc3c2)cc(OC)c1OC,CI,0
COC(=O)C1OC12C(CO[Si](C)(C)C(C)(C)C)OC(n1ccc(=O)[nH]c1=O)C2O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2C(N)=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2CO,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2C(=O)NO,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2C(=O)NN,CI,0
COC(=O)C1OC12C(CO[Si](C)(C)C(C)(C)C)OC(n1cc(C)c(=O)[nH]c1=O)C2O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OC3C(=O)NO)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CI,0
Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OC3C(=O)NN)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCCN(CCC#N)C(=O)NC(C(=O)OC)C(C)C)c1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCN(CCC#N)C(=O)NC(C(=O)OC)C(C)C)c1ccccc1,CI,0
CCC(C)C(NC(=O)N(CCC#N)CCN(CCN(C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1)C(=O)NC(C(=O)OC)C(C)C)C(=O)OC,CI,0
CCN(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC)c1ccccc1,CI,0
CCN(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)OC)c1ccccc1,CI,0
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)N(CC)c1ccccc1)C(=O)NC(CC(C)C)C(=O)OC,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCNCCNC(=O)OC(C)(C)C)c1ccccc1,CI,0
c1ccc2[nH]c(C3CCCCO3)nc2c1,CI,0
Cl.Clc1cc2nc(C3CCCCO3)[nH]c2cc1Cl,CI,0
CC1(c2nc3ccccc3[nH]2)CCC(C(=O)O)C(C)(C)O1,CI,0
CC1(c2nc3ccccc3[nH]2)CCC(C(N)=O)C(C)(C)O1,CI,0
CC1(c2nc3ccccc3[nH]2)CCC(C#N)C(C)(C)O1,CI,0
CC1(c2nc3ccccc3[nH]2)CCC(CO)C(C)(C)O1,CI,0
CC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(C(=O)O)C(C)(C)O1,CI,0
CC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(CO)C(C)(C)O1,CI,0
O=C(NC1c2ccsc2C(=NO)C1O)C(F)(F)F,CI,0
CC(C)(C)OC(=O)NCC(=O)NC1c2ccsc2C(=NO)C1O,CI,0
NCC(=O)NC1c2ccsc2C(=NO)C1O.O=C(O)C(F)(F)F,CI,0
CC(C)(C)OC(=O)NCC(=O)NC1CC(=NO)c2sccc21,CI,0
CON=C1CC(NC(=O)CNC(=O)OC(C)(C)C)c2ccsc21,CI,0
CON=C1CC(NC(=O)C(F)(F)F)c2ccsc21,CI,0
CON=C1c2sccc2C(NC(=O)C(F)(F)F)C1O,CI,0
CON=C1c2sccc2C(NC(=O)CNC(=O)OC(C)(C)C)C1O,CI,0
CC(=O)OCC1C(C(C)OC(C)=O)CCC2C1CCC1(C)C(OC(C)=O)CCC21,CM,1
CCC1CCC2C(CCC3(C)C(OC(C)=O)CCC23)C1C(=O)OC,CI,0
COC(=O)C1C(C(C)=O)CCC2C1CCC1(C)C(OC(C)=O)CCC21,CI,0
CCC1CCC2C(CCC3(C)C(O[N+](=O)[O-])CCC23)C1C(C)=O,CI,0
CC(=O)C1CCC2C(CCC3(C)C(O)CCC23)C1C(=O)O,CI,0
CC(=O)OC1CCC2C3CCC(C(C)=O)C(C(=O)O)C3CCC12C,CI,0
COCC(=O)C1CCC2C(CCC3(C)C(OC(C)=O)CCC23)C1C(=O)OC,CI,0
CCCCOCC(=O)C1CCC2C(CCC3(C)C(O)CCC23)C1C(=O)O,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccccc4Cl)N=C3C)cc2)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4cccc(Cl)c4)N=C3C)cc2)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccc(Cl)cc4)N=C3C)cc2)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccccc4C)N=C3C)cc2)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4cccc(C)c4)N=C3C)cc2)cc1,CI,0
CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccc(C)cc4)N=C3C)cc2)cc1,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(S(=O)(=O)c4ccc(N=NC5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(S(=O)(=O)c4ccc(N=NC5C(=O)N(C(=O)CC(=O)Nc6ccc(OC)cc6)N=C5C)cc4)cc3)C2=O)cc1,CI,0
CN1N=C(c2ccncc2)OC1c1ccccc1F,CI,0
CN1N=C(c2ccncc2)OC1c1cccc(F)c1,CI,0
CN1N=C(c2ccncc2)OC1c1cccc(C(F)(F)F)c1,CI,0
CN1N=C(c2ccncc2)OC1c1ccc(C(F)(F)F)cc1,CI,0
CN1N=C(c2ccncc2)OC1c1ccc(Cl)cc1Cl,CI,0
CN1N=C(c2ccncc2)OC1c1ccc(Cl)c(Cl)c1,CI,0
COc1ccc(C2OC(c3ccncc3)=NN2C)cc1OC,CI,0
COc1ccc(C2OC(c3ccncc3)=NN2C)cc1F,CI,0
CC[N+](C)(C)C1=C([O-])C(F)(F)C1=O,CI,0
CCCC[N+](CCCC)(CCCC)C1=C([O-])C(F)(F)C1=O,CI,0
C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O,CI,0
CCCCCC1=CC(=O)C1(Cl)Cl,CI,0
C=C(C)CC1(O)C(=O)C(OCC)=C1OCC,CI,0
C=C(C)CC1(O[Si](C)(C)C)C(=O)C(OCC)=C1OCC,CI,0
C=C(C)CC1=C(OCC)C(OC)(OCC)C1=O,CI,0
C=C(C)CC1=C(C(=S)NCCO[Si](C)(C)C(C)(C)C)C(OCC)(OCC)C1=O,CI,0
CC(CCc1nc2ccccc2[nH]1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CCC2(C)C(C(C)CCc3nc4ccccc4n3C(C)=O)CCC12,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CCC2(C)C(C(C)CCc3nc4ccccc4[nH]3)CCC12,CI,0
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1,CI,0
CC(CCc1nc2ccccc2[nH]1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(CCc1nc2ccccc2[nH]1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0
CC(CCc1nc2ccccc2n1CCN(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.CS(=O)(=O)O,CI,0
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5cc(C)ccc5[nH]4)CCC32)C1,CI,0
COc1ccc(NC2Oc3cc4c(cc3C(c3cccc(OC)c3OC)C2C)OCO4)cc1,CI,0
COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1OC,CI,0
COc1ccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc1,CI,0
COc1cc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc(OC)c1OC,CI,0
COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C2C)OCO4)cc1,CI,0
COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1O,CI,0
COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C2C)OCO4)cc1,CI,0
COc1cc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc(OC)c1O,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccccc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2-c2ccccc2)cc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1c(N=Nc2ccccc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
Cc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2-c2ccccc2)cc1,CI,0
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2-c2ccccc2)cc1,CI,0
Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
CC(=O)OCC1OC(n2c(C)c(N=Nc3ccccc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(C)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2C)cc1,CI,0
CC(=O)OCC1OC(n2c(C)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1c(N=Nc2ccccc2)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
Cc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C)cc1,CI,0
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C)cc1,CI,0
Cc1c(N=Nc2ccc(Cl)cc2)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0
N=c1oc2c(O)c(O)ccc2cc1C(N)=O,CI,0
N=c1oc2cc(O)c(O)cc2cc1C(N)=O,CI,0
COc1ccc2oc(=N)c(C(N)=S)cc2c1,CI,0
CCN(CC)c1ccc2cc(C(N)=S)c(=N)oc2c1,CI,0
Cc1c(C#N)c(=N)oc2ccccc12,CI,0
Cc1cc2oc(=N)c(C#N)c(C)c2cc1C,CI,0
Cc1c(C(N)=C(C#N)C#N)c(=N)oc2ccccc12,CI,0
COC(=O)C(C#N)=C(N)c1c(C)c2ccccc2oc1=N,CI,0
Cc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc(Cl)cc1,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccccc1,CI,0
Cc1cc(Br)c(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)c(Br)c1,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc([N+](=O)[O-])c1,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc([N+](=O)[O-])cc1,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccccc1C(=O)O,CI,0
CC1C2=C(CCCC2=O)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2,CI,0
CC1(C)[CH-][N+](=O)C(C)(C)N1O,CI,0
C[C-]1[N+](=O)C(C)(C)N(N=O)C1(C)C,CI,0
CC1(C)[C-](CBr)[N+](=O)C(C)(C)N1O,CI,0
C[C-]1[N+](=O)C(C)(C)N(O)C1(C)C,CI,0
CC1(C)[C-](C=NO)[N+](=O)C(C)(C)N1O,CI,0
CC1(C)[CH-][N+](=O)C(C)(C)N1,CI,0
CC[C-]1[N+](=O)C(C)(C)NC1(C)C,CI,0
CC1(C)[C-](C#N)[N+](=O)C(C)(C)N1O,CI,0
CC(=O)N=C1N(C)C(=Cc2ccc(Cl)cc2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(=O)N=C1N(C)C(=Cc2cccc(Cl)c2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(=O)N=C1N(C)C(=Cc2ccc(NC(C)=O)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
COc1ccc(C=C2C(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C(=NC(C)=O)N2C)cc1OC,CI,0
CC(=O)N=C1N(C)C(=Cc2ccccc2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(=O)N=C1N(C)C(=Cc2ccc(OC(C)=O)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CCOc1ccc(C=C2C(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C(=NC(C)=O)N2C)cc1,CI,0
CC(=O)N=C1N(C)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC1=CC(=O)C(=CNC(N)=S)C(=O)O1,CI,0
CC1=CC(=O)C(=CNC(=O)NN)C(=O)O1,CI,0
CC(=O)NNC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0
CC1=CC(=O)C(=CNC(=S)C(N)=S)C(=O)O1,CI,0
CC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0
CCCNC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0
CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0
CCCCNC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0
CC1=NC(=Cc2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CC1=NC(=Cc2ccc(O)cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CC1=NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cc(C=C2N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)cc(OC)c1OC,CI,0
CC1=NC(=Cc2cccc(Cl)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cccc(C=C2N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1,CI,0
CC1=NC(=Cc2cc(Br)cc(Br)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C1C(=Cc2ccccc2O)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C1C(=Cc2ccc(O)cc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cc(C=C2N=C(c3ccccc3)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)cc(OC)c1OC,CI,0
O=C1C(=Cc2cccc(Cl)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
COc1cccc(C=C2N=C(c3ccccc3)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1,CI,0
O=C1C(=Cc2cccc(O)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
O=C1C(=Cc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0
CCOc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC,CI,0
COc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1,CI,0
COc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1,CI,0
COc1cccc2c1OC(c1ccc(Cl)cc1)C([N+](=O)[O-])=C2,CI,0
N#Cc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1,CI,0
COc1cccc2c1OC(c1ccc(C#N)cc1)C([N+](=O)[O-])=C2,CI,0
COc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC,CI,0
COc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC,CI,0
CC1C2CC(CC2=NO)C1(C)C,CI,0
CC12CC(CC1=NO)C(C)(C)C2,CI,0
CC12CCC(CC1=NNC(N)=O)C2(C)C,CI,0
CC1(C)C(=NNC(N)=O)C2CCC1C2,CI,0
COC(=O)CCC1(C)C2CCC1(C)C(=NO)C2,CI,0
COC(=O)CCC1(C)C2CCC1C(=NO)C2,CI,0
CC1(C)C(=NO)C2(OS(=O)(=O)C(F)(F)F)CCC1C2,CI,0
CC1(C)C(=NO)C2(C#N)CCC1C2,CI,0
NCCCCNCCCNC(=O)c1csc(-c2nc(CCN)sc2Cl)n1,CI,0
Cl.NCCCCNCCCNC(=O)c1nc(-c2csc(CCN)n2)sc1Cl,CI,0
Cl.NCCCCNCCCNC(=O)c1nc(-c2nc(CCN)sc2Cl)sc1Cl,CI,0
COC(=O)c1csc(-c2csc(CCNC(=O)OC(C)(C)C)n2)n1,CI,0
COC(=O)c1csc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Br)n1,CI,0
COC(=O)c1nc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Cl)sc1Cl,CI,0
CCCCCCC(CCl)c1sc(-c2csc(CCNC(=O)OC(C)(C)C)n2)nc1C(=O)OC,CI,0
CSCCCNC(=O)c1csc(-c2csc(C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)n2)n1,CI,0
O=C1CSC(c2c[nH]c3ccccc23)N1c1cccc(Cl)c1,CI,0
O=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1,CI,0
COc1ccccc1N1C(=O)CSC1c1c[nH]c2ccccc12,CI,0
COc1cccc(N2C(=O)CSC2c2c[nH]c3ccccc23)c1,CI,0
COc1ccc(N2C(=O)CSC2c2c[nH]c3ccccc23)cc1,CI,0
O=C1CSC(c2c[nH]c3ccccc23)N1c1ccccc1[N+](=O)[O-],CI,0
O=C1CSC(c2c[nH]c3ccccc23)N1c1cccc([N+](=O)[O-])c1,CI,0
O=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1Cl,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccccc2)SC1=Nc1ccccc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccccc2O)SC1=Nc1ccccc1,CI,0
COc1ccc(C=C2SC(=Nc3ccccc3)N(NC(=O)Cc3ccccc3)C2=O)cc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccc(O)cc2)SC1=Nc1ccccc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=Nc1ccccc1,CI,0
O=C(Cc1ccccc1)NN1C(=O)C(=Cc2cccc(O)c2)SC1=Nc1ccccc1,CI,0
COc1ccc(C=C2SC(=Nc3ccccc3)N(NC(=O)Cc3ccccc3)C2=O)c(OC)c1,CI,0
Cc1cc(O)nc(NNC(C#N)c2ccccc2O)n1,CI,0
Cc1cc(O)nc(NNC(C#N)c2ccc(O)cc2)n1,CI,0
Cc1cc(O)nc(NNC(C#N)c2cccc(O)c2)n1,CI,0
Cc1cc(O)nc(NNC(C#N)c2ccc([N+](=O)[O-])cc2)n1,CI,0
Cc1cc(O)nc(NNC(C#N)c2cccc([N+](=O)[O-])c2)n1,CI,0
COc1ccc(C(C#N)NNc2nc(C)cc(O)n2)cc1OC,CI,0
Cc1cc(O)nc(NNC(C#N)c2ccc(N(C)C)cc2)n1,CI,0
COc1cc(C(C#N)NNc2nc(C)cc(O)n2)cc(OC)c1OC,CI,0
CC(=NNC(=N)N)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NO)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NNC(N)=O)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NN(C)C)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CCC1CCCCN1CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NN)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=O)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NNC(=O)CC#N)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1,CI,0
O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0
Clc1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1,CI,0
Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1,CI,0
Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1,CI,0
CN1CCN=C1c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1,CI,0
O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1,CI,0
O=C(c1nc2ccccc2nc1O)C(O)c1ccccc1,CI,0
COc1cc(C(O)C(=O)c2nc3ccc([N+](=O)[O-])cc3nc2O)ccc1O,CI,0
O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1cccc([N+](=O)[O-])c1,CI,0
COc1cc(C(O)C(=O)c2cnc3cc([N+](=O)[O-])ccc3n2)ccc1O,CI,0
O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C(O)C(=O)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
COc1ccc(C(O)C(=O)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Cl)cc1.Cl,CI,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Cl)c(Cl)c1.Cl,CI,0
COc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccccc1.Cl,CI,0
Cc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Br)cc1.Cl,CI,0
Cl.O=C(C=Cc1ccccc1)CCN1CCCCC1,CI,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1c(Cl)cccc1Cl.Cl,CI,0
N#Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1c2ccccc2C(=O)N1N=Cc1ccc(O)cc1,CI,0
O=C1c2ccccc2C(=O)N1N=Cc1ccc(Br)cc1,CI,0
CN(C)c1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1,CI,0
CC(=O)Nc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1,CI,0
CCOc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1c2ccccc2C(=O)N1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
COc1cccc(OC)c1C=NN1C(=O)c2ccccc2C1=O,CI,0
CN(C)CC1CCCC1=NO,CI,0
CN(C)CC1CCC(CN(C)C)C1=NO.Cl,CI,0
C[N+](C)(C)CC1CCCC1=NO.[I-],CI,0
C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=NO.[I-],CI,0
NC(=S)NN=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,CI,0
OC(NN=C1CCCC1)(C(F)(F)Cl)C(F)(F)Cl,CI,0
CCC(C)(NC(=O)C(C)NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(C)(CC)C(=O)ON=C1CCCC1,CI,0
CC1CC(=NN(C)C)C(C#N)(C#N)C1(C#N)C#N,CI,0
CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)oc1-c1ccccc1,CI,0
O=C(O)C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)O,CI,0
O=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)o1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(-c2ccc(F)cc2F)o1,CI,0
N#CC=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1,CI,0
N#Cc1c(N)oc(-c2cccc([N+](=O)[O-])c2)c1C#N,CI,0
N#Cc1c(N)oc(-c2ccc([N+](=O)[O-])cc2)c1C#N,CI,0
Clc1cc(Cl)cc(Nc2nc3ccccc3nc2-c2cccs2)c1,CI,0
COc1cc(Nc2nc3ccccc3nc2-c2cccs2)cc(OC)c1OC,CI,0
Clc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1Cl,CI,0
CCCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)OCCC,CI,0
O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)O,CI,0
COc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
O=C(O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)OCC,CI,0
CC1CC(c2ccc(Cl)c(Cl)c2)=Nc2ccccc2S1,CI,0
COc1ccc(C2=Nc3ccccc3SC(C)C2)cc1,CI,0
Cc1ccc(C2=Nc3ccc(F)cc3SC(C(=O)O)C2)cc1,CI,0
COc1ccc(C2=Nc3ccccc3SC(C)C2)cc1OC,CI,0
CC1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2S1,CI,0
CC1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1,CI,0
CC1CC(c2ccccc2)=Nc2ccccc2S1,CI,0
O=C(O)C1CC(c2ccc(F)cc2)=Nc2ccc(F)cc2S1,CI,0
CN(C)CC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CCN(CC)CC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CN(C)CCN1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CCN(CC)CCN1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CN(C)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CCN(CC)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CN(C)CCCN1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
CCN(CC)CCCN1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
O=[N+]([O-])c1ccccc1C=Cc1ccccn1,CI,0
CC(=O)Nc1ccccc1C=Cc1ccccn1,CI,0
N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1ccccn1,CI,0
COc1ccc(C=C(C#N)c2ccccn2)cc1OC,CI,0
N#CC(=Cc1cc(F)cc(F)c1)c1ccccn1,CI,0
N#CC(=Cc1cc(Cl)cc(Cl)c1)c1ccccn1,CI,0
COc1c(Br)cc(C=C(C#N)c2ccccn2)cc1Br,CI,0
COc1cc(C=C(C#N)c2ccccn2)cc(Br)c1O,CI,0
Cc1ccc(NC(=O)CCc2nc(=S)[nH][nH]2)cc1,CM,1
O=C(CCc1nc(=S)[nH][nH]1)Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(CCc1nc(=S)[nH][nH]1)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CCc1cccc(C)c1NC(=O)CCc1nc(=S)[nH][nH]1,CI,0
CCOc1ccccc1NC(=O)CCc1nc(=S)[nH][nH]1,CI,0
Cc1cccc(C)c1NC(=O)CCc1nc(=S)[nH][nH]1,CI,0
O=C(CCc1nc(=S)[nH][nH]1)Nc1ccccc1Cl,CI,0
Cc1ccc(C)c(NC(=O)CCc2nc(=S)[nH][nH]2)c1,CI,0
O=c1ncccn1C1OC(CO)C(O)C1F,CI,0
CN(C)C=Nc1nc(=O)n(C2CCC(CO)O2)cc1F,CA,1
COc1nc(=O)n(C2CC(F)C(CO)O2)cc1C,CM,1
COc1nc(=O)n(C2CC(N=[N+]=[N-])C(CO)O2)cc1C,CM,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)O)O2)c(=O)n1,CA,1
CSc1ccn(C2CC(F)C(CO)O2)c(=O)n1,CM,1
CCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(N=[N+]=[N-])C(CO)O2)cc1C,CI,0
NC(CCCCNc1ccn(C2OC(CO)C(O)C2O)c(=O)n1)C(=O)O.[NaH],CI,0
COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)nc(NC#N)n2)cc1,CI,0
COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nc(S)n2)cc1,CI,0
COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nc(N)n2)c1,CI,0
Cc1ccc(C)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c1,CI,0
Cc1c(C(=O)Nc2ccc(Cl)cc2)nc(N)nc1-c1cccc(Cl)c1,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc(S)n1,CI,0
Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc(S)n1,CI,0
N#CNc1nc(C(=O)Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1,CI,0
NS(=O)(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CI,0
O=C(CC(=O)Nc1ccccc1)Nc1ccccc1,CI,0
O=C(CC(=O)Nc1ccccc1O)Nc1ccccc1O,CI,0
COc1cccc(NC(=O)CC(=O)Nc2cccc(OC)c2)c1,CI,0
COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1,CI,0
O=C(CC(=O)Nc1cccc(C(=O)O)c1)Nc1cccc(C(=O)O)c1,CI,0
O=C(CC(=O)Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1,CI,0
CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1,CI,0
Cc1ccc(NC(=O)C(=O)C2C(=N)NN(c3ccccc3)C2=O)cc1C,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccccc1,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1ccc(C)c(NC(=O)C(=O)C2C(=N)NN(c3ccccc3)C2=O)c1,CI,0
CCc1ccccc1NC(=O)C(=O)C1C(=N)NN(c2ccccc2)C1=O,CI,0
Cc1cccc(C)c1NC(=O)C(=O)C1C(=N)NN(c2ccccc2)C1=O,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(Cl)cc1,CI,0
CC(=O)Nc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-],CI,0
Nc1n[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],CI,0
[O-][n+]1cn[n+]([O-])c2ccccc21,CI,0
Cc1ccc2c(c1)[n+]([O-])c(N)n[n+]2[O-],CI,0
CCN(CC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])C(C)=O,CI,0
CCN(CC(COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])OC(C)=O)C(C)=O,CI,0
CCNCC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-].Cl,CI,0
Nc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-],CI,0
O=[N+]([O-])C=Cc1c[nH]c2c1ccc1ccccc12,CI,0
O=[N+]([O-])C=Cc1cc2ccc3ccccc3c2[nH]1,CI,0
CCOC(=O)c1[nH]c2c(cc(C=O)c3ccccc32)c1C,CI,0
CCOC(=O)c1[nH]c2c(cc(C(=O)C(F)(F)F)c3ccccc32)c1C(F)(F)F,CI,0
CCOC(=O)c1c(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2n1C,CI,0
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccccc12,CI,0
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1cc(Cl)c(Cl)cc12,CI,0
COc1ccc2c(ccc3c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n(C)c32)c1,CI,0
COc1nc(O)cc(NC2OC(CO)C(O)C(O)C2O)n1,CI,0
CSc1nc(O)cc(NC2OCC(O)C(O)C2O)n1,CI,0
CSc1nc(O)cc(NC2OC(CO)C(O)C(O)C2O)n1,CI,0
CC(=O)OCC1OC(Nc2nc(O)nc(O)c2N=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CSc1nc(O)c(N)c(NC2OCC(O)C(O)C2O)n1,CI,0
CSc1nc(O)c(N=C(C)C(C)=O)c(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n1,CI,0
CC(=O)OCC1OC(Nc2cc(O)nc(O)n2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCOC(=O)C(=O)C=C(C)Nc1c(O)nc(SC)nc1NC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(C)C(O)(C(=O)OCC1CCN2CCC(O)C12)C(C)O,CI,0
OCC1C(O)C(O)C2C(O)CCN12,CI,0
C=CCCCCC1CCC2CCC(CCCCC=C)N12,CI,0
C=CCCCCC1CCC2CCC(CCCC)N12,CI,0
CC=C(C)C(=O)OC1CCN2CCC(COC(=O)C(=CC)CO)C12,CI,0
COC(=O)C12CCCN1CCC2,CM,1
O=CC12CCCN1CCC2,CI,0
B.CS(=O)(=O)OC1CN2CC(O)C(O)C2C1CO,CI,0
COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccc(Cl)cc1)C(=S)N2c1ccccc1C,CI,0
Cc1ccccc1N1C(=S)N(c2ccc(Cl)cc2)C2=Nc3ccccc3NC1=C2N=Nc1cc(Cl)ccc1Cl,CI,0
Cc1ccc(N2C(=S)N(c3ccccc3C)C3=C(N=Nc4ccc(Cl)cc4)C2=Nc2ccccc2N3)cc1,CI,0
Cc1ccc(N2C(=S)N(c3ccccc3C)C3=C(N=Nc4ccccc4)C2=Nc2ccccc2N3)cc1,CI,0
Cc1ccc(N=NC2=C3Nc4ccccc4N=C2N(c2ccc(C)cc2)C(=S)N3c2ccccc2C)cc1,CI,0
COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccccc1OC)C(=S)N2c1ccccc1C,CI,0
S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3NC(=C2N=Nc2ccccc2)N1c1ccc(Cl)cc1,CI,0
S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3NC(=C2N=Nc2cc(Cl)ccc2Cl)N1c1ccc(Cl)cc1,CI,0
Cc1csc2nc(-c3ccccc3)cn12,CI,0
Cc1csc2nc(-c3ccccc3)c(C=NNC(=O)CN(C)C)n12,CI,0
COc1ccc(-c2cn3ccsc3n2)cc1,CI,0
CSc1ccc(-c2cn3ccsc3n2)c(O)c1,CI,0
Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)cc2)nc2sccn12,CI,0
Cl.N=C(N)NN=Cc1c(-c2ccccc2)nc2sccn12,CI,0
Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)c(Cl)c2Cl)nc2sccn12,CI,0
Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cl)cn12,CI,0
CC1C[N+]2(CNC(=O)C3=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C3=O)C(=O)c3c(O)cccc3C5(C)O)CC(C)O[B-]2(c2ccccc2)O1,CI,0
CN(C)C1C(O)=C(C(=O)NC[N+]23CCO[B-]2(c2ccc(Cl)cc2)OCC3)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0
COc1ccccc1[B-]12OCC[N+]1(CNC(=O)C1=C(O)C(N(C)C)C3CC4C(=C(O)C3(O)C1=O)C(=O)c1c(O)cccc1C4(C)O)CCO2,CI,0
COc1cccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)c1,CI,0
COc1ccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)cc1,CI,0
Cc1ccccc1[B-]12OCC[N+]1(CNC(=O)C1=C(O)C(N(C)C)C3CC4C(=C(O)C3(O)C1=O)C(=O)c1c(O)cccc1C4(C)O)CCO2,CI,0
Cc1cccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)c1,CI,0
Cc1ccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)cc1,CI,0
CC(C)CN1CC(=O)N2Cc3ccccc3CN2C(=O)C1,CI,0
COCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1,CI,0
COCCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1,CI,0
O=C1CN(CCO)CC(=O)N2Cc3ccccc3CN12,CI,0
O=C1CN(CCCO)CC(=O)N2Cc3ccccc3CN12,CI,0
O=C1CN(CCCl)CC(=O)N2Cc3ccccc3CN12,CI,0
O=C1CN(CCCCl)CC(=O)N2Cc3ccccc3CN12,CI,0
CCN(CC)CCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1,CI,0
Cc1nc2sccn2c1C(N)=O,CI,0
COC(=O)Nc1cn2ccsc2n1,CI,0
NC(=O)COC(=O)c1c(Cl)nc2sccn12,CI,0
Cc1nc2sccn2c1C(=O)NN,CI,0
Cc1nc2sccn2c1C(=O)NNC(N)=S,CI,0
CNC(=S)NNC(=O)c1c(C)nc2sccn12,CI,0
C=CCNC(=S)NNC(=O)c1c(C)nc2sccn12,CI,0
Cl.N=C(N)NN=Cc1c(Cl)nc2sccn12,CI,0
Cc1cc(C=C2OC(=O)c3ccccc32)cc(C)c1O,CI,0
O=C1OC(=C(Br)c2ccc([N+](=O)[O-])cc2)c2ccccc21,CI,0
Cc1cccc(C(Br)=C2OC(=O)c3ccccc32)c1,CI,0
O=C1OC(=C(Br)c2ccccc2)c2ccccc21,CI,0
Br.CN(C)c1ccc(C(Br)=C2OC(=O)c3ccccc32)cc1,CI,0
COc1ccc(C(Br)=C2OC(=O)c3ccccc32)cc1,CI,0
O=C1OC(=C(Br)c2ccc(Cl)c(Cl)c2)c2ccccc21,CI,0
COc1cccc(OC)c1C=C1OC(=O)c2cccc(OC)c21,CI,0
O=C1c2ccccc2C(=O)C1(Br)c1ccccc1,CI,0
Cc1ccccc1C1(Br)C(=O)c2ccccc2C1=O,CI,0
CCc1ccccc1C1(Br)C(=O)c2ccccc2C1=O,CI,0
Cc1cccc(C2(Br)C(=O)c3ccccc3C2=O)c1,CI,0
Cc1ccc(C2(Br)C(=O)c3ccccc3C2=O)cc1,CI,0
Cc1cccc(C)c1C1(Cl)C(=O)c2ccccc2C1=O,CI,0
Cc1cc(C2C(=O)c3ccccc3C2=O)cc(C)c1O,CI,0
C[S+](C)C1(c2ccccc2)C(=O)c2ccccc2C1=O.O=S(O)(=[OH+])C(F)(F)F,CI,0
CN1C(=O)C(C)(C)C(=O)c2ccccc21,CI,0
CCC1(O)C(=O)Nc2ccccc2C1=O,CI,0
CCC1(O)C(=O)Nc2ccc(OC)cc2C1=O,CI,0
CCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O,CI,0
CCC1(N=[N+]=[N-])C(=O)Nc2cc(C)ccc2C1=O,CI,0
CCCCCCCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O,CM,1
CCCCCCCCCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O,CI,0
CCCCCCCC1(N=[N+]=[N-])C(=O)Nc2ccccc2C1=O,CI,0
COc1ccc(-c2c(C#N)cnc(C)c2C)c(O)c1OC,CI,0
COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(O)c1OC,CI,0
N#Cc1c(NN)nc(NN)c(C#N)c1-c1ccccc1,CI,0
COc1cc(-c2c(C)c(C)nc(OC)c2C#N)cc(OC)c1OC,CA,1
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccc(OC)cc1,CI,0
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccc(Cl)cc1,CI,0
N#Cc1c(N)nc(S)c(C#N)c1-c1ccccc1,CI,0
CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(N(C)C)cc1,CI,0
Cc1ccc(-n2c(=S)[nH]c3ccc(C)cc3c2=O)cc1,CI,0
O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Cl)cc1,CI,0
O=c1c2ccccc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1,CI,0
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1,CI,0
O=c1c2cc(Br)cc(Br)c2[nH]c(=S)n1-c1ccccc1,CI,0
O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Br)cc1,CI,0
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccc(Br)cc1,CI,0
Cc1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1,CI,0
CN(C)CC1C(O)C2CCN1CC2,CI,0
B.CC(=O)OC1CN2CCC1CC2,CI,0
CC(=O)OC1CN2CCC1CC2,CI,0
CCOC(=O)NC1CN2CCC1CC2,CI,0
N#CC(C#N)C1CN2CCC1CC2,CI,0
CC#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C,CI,0
CC#CC(O)(C#CC)C(=O)OC1CN2CCC1CC2,CI,0
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C,CI,0
COc1ccc(C2CCC(=O)CC2C(=O)O)cc1,CI,0
COc1ccc(C2CCC(=O)CC2(O)C(=O)O)cc1,CI,0
COC(=O)C1(O)CC(=O)CCC1c1ccccc1,CI,0
CCOC(=O)C1(c2ccccc2)CCC(=O)CC1,CI,0
CCOC(=O)C1CC(C(=O)OCC)(c2ccccc2)CCC1=O,CI,0
COC(=O)C1CC(=O)CCC1c1ccccc1,CI,0
O=C1CCC(c2ccccc2)C(O)(C(=O)O)C1,CI,0
COC(=O)C1(O)CC(=O)CCC1c1ccc(OC)cc1,CI,0
Cc1ccc(S(=O)(=O)N(C)C)cc1NC1=NCCO1,CI,0
COc1cc(OC)c(NC2=NCCO2)cc1Cl,CI,0
COc1ccc(OC)c(NC2=NCCO2)c1,CI,0
CSc1ccccc1NC1=NCCO1,CI,0
CN(C)c1cccc(NC2=NCCO2)c1,CI,0
Cc1cccc(NC2=NCCO2)c1Cl,CI,0
COc1cccc(OC)c1NC1=NCCO1,CI,0
Cc1ccc([N+](=O)[O-])cc1NC1=NCCO1,CI,0
NC1=C(c2ccccc2)C(=O)c2ccccc21,CI,0
COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2=O)cc1OC,CI,0
COc1ccc(C2=C(N)c3cc(OC)ccc3C2=O)cc1,CI,0
COc1ccc(C2=C(N)c3ccccc3C2=O)cc1,CI,0
COc1ccc2c(c1)C(N)=C(c1ccccc1)C2=O,CI,0
COc1ccc(C2=C(N)c3c(Cl)cccc3C2=O)cc1,CI,0
COc1ccc(C2=C(N)c3c(OC)cccc3C2=O)cc1,CI,0
COc1ccc2c(c1)C(N)=C(c1ccccc1OC)C2=O,CI,0
COc1cccc(-n2cccc2)c1,CI,0
Clc1cccc(-n2cccc2)c1,CI,0
N#Cc1ccc(-n2cccc2)cc1,CI,0
Clc1ccc(-n2cccc2)cc1,CI,0
COc1ccc(-n2cccc2)cc1,CI,0
CN(C)c1ccc(-n2cccc2)cc1,CI,0
O=[N+]([O-])c1ccc(-n2cccc2)cc1,CI,0
O=C(O)C=CC(=O)Nc1ccccc1-n1cccc1,CI,0
CN1CCC(O)(c2ccc(F)cc2)C(C(=O)c2ccc(F)cc2)C1,CI,0
Br.CCN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,CI,0
Br.CCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1,CI,0
Br.CCN1CCC(O)(c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C1,CI,0
Br.CCN1CCC(O)(c2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)C1,CI,0
Br.CCN1CCC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1,CI,0
CCN1CCC(O)(c2ccc(O)cc2)C(C(=O)c2ccc(O)cc2)C1.Cl,CI,0
CCN1CCC(O)(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)C1.Cl,CI,0
Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
CCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCO,CI,0
CC(C)n1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
C=CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
C#CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0
O=C(Cc1ccccc1)OC1CN2CCC1CC2,CI,0
CC(C)C=CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1,CI,0
C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1,CI,0
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1,CI,0
CCCCC=CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1,CI,0
CCC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1,CI,0
C=C(C)C(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1,CI,0
C=C(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1,CI,0
CC1(C)Oc2ccc3ccc(=O)oc3c2C(O)C1O,CI,0
CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3O,CI,0
CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3O,CI,0
CC(=O)OC1C(OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,CM,1
C=CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2,CM,1
C#CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2,CI,0
CCCc1cc(=O)oc2c3c(cc(OC(C)CC)c12)OC(C)C(C)C3O,CM,1
CCCc1cc(=O)oc2c3c(cc(OC(C)COC)c12)OC(C)C(C)C3O,CM,1
CCN(CC)CC(C)C(O)(c1ccc(Cl)cc1)C1CCCCC1,CI,0
CN(C)S(=O)(=O)C(c1ccccc1)C1(O)CCCCC1,CI,0
CC(c1ccccc1O)C1CCCCC1N=O,CI,0
CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,CI,0
CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.Cl,CI,0
Cc1ccc(CC2(OCCN(C)C)CCC(C(C)(C)C)CC2)cc1.O=C(O)C=CC(=O)O,CI,0
CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,CI,0
COC(=O)N=[N+]([O-])C(c1ccc(OC)cc1)C1CCCCC1,CI,0
N=C(N)NN=C1CCCCC1,CI,0
CN(C)CC1CCCC(CN(C)C)C1=NO.Cl,CI,0
C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=NO.[I-],CI,0
CN(C)CC1CCCCC1=NO,CI,0
C[N+](C)(C)CC1CCCCC1=NO.[I-],CI,0
C=CCC1(C(=O)OC)CCCC(=NO)C1,CI,0
NC(=S)NN=C1CCCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,CI,0
CC(=O)O.ON=C1CCCCC1NO,CI,0
Clc1cc2nncc(N3CC3)c2cc1Cl,CI,0
Clc1ccc2nncc(N3CC3)c2c1,CI,0
O=[N+]([O-])c1ccc2nncc(N3CC3)c2c1,CI,0
O=[N+]([O-])c1cccc2c(N3CC3)cnnc12,CI,0
Clc1cc(Cl)c2nncc(N3CC3)c2c1,CI,0
Clc1cccc2c(N3CC3)cnnc12,CI,0
Clc1cccc2nncc(N3CC3)c12,CI,0
Brc1ccc2nncc(N3CC3)c2c1,CI,0
CC(=O)Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2,CI,0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,CI,0
COCN1C(=O)CN=C(c2ccccc2)c2cc(NO)ccc21,CM,1
CCOC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,CI,0
CN(C)CCN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21,CI,0
Cc1cc2c(c(C#N)c1C)NC(=O)CN=C2c1ccccc1F,CM,1
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1,CI,0
CC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,CI,0
O=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1,CI,0
CCc1ccc(C2=C(O)C(=O)C(c3ccccc3)=C(O)C2=O)cc1,CI,0
CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1,CI,0
O=C1C(O)=C(c2ccc(Br)cc2)C(=O)C(O)=C1c1ccc(Br)cc1,CI,0
Cc1ccc(C2=C(O)C(=O)C(c3ccc(C)cc3)=C(O)C2=O)cc1,CI,0
CCCCc1ccc(C2=C(O)C(=O)C(c3ccc(CCCC)cc3)=C(O)C2=O)cc1,CI,0
O=C1C(O)=C(c2ccccc2C(=O)O)C(=O)C(O)=C1c1ccccc1C(=O)O,CI,0
COC(=O)c1ccccc1C1=C(O)C(=O)C(c2ccccc2C(=O)OC)=C(O)C1=O,CI,0
O=C(C=Cc1ccccc1)c1ccc(Cl)s1,CI,0
Cc1ccc(C(=O)C=Cc2ccccc2)s1,CI,0
O=C(C=Cc1ccc(Cl)cc1Cl)c1cccs1,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cccs1,CI,0
O=C(C=Cc1cccc(Br)c1)c1cccs1,CI,0
O=C(C=Cc1ccc(Cl)cc1)c1cccs1,CI,0
O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)s1,CI,0
O=C(C=Cc1ccccc1)c1cccs1,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(C(=O)NCC(=O)O)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(C(=O)NCC(=O)O)cc3)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(Cl)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(Cl)cc3)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3S)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3S)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(Cl)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(Cl)c3)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(O)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(O)c3)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c1O,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3)c2c1O,CI,0
Clc1ccc(C2=CSC3=NCCN23)cc1,CI,0
C1=C(c2ccccc2)N2CCN=C2S1,CI,0
O=[N+]([O-])c1ccc(C2=CSC3=NCCN23)cc1,CI,0
Oc1ccc(C2=CSC3=NCCN23)cc1,CI,0
Brc1ccc(C2=CSC3=NCCN23)cc1,CI,0
Cc1ccc(C2=CSC3=NCCN23)cc1Cl,CI,0
Cc1cc(C2=CSC3=NCCN23)ccc1Cl,CI,0
Br.Clc1ccc(C2=CSC3=NCCN23)cc1,CI,0
CC1C(=O)NC(=O)NC1=O,CI,0
CCC1(Br)C(=O)NC(=O)NC1=O,CM,1
CC(C)CCC1(CCSC#N)C(=O)NC(=O)NC1=O,CI,0
CCC1(NC(=O)CN)C(=O)NC(=O)NC1=O,CI,0
COP(=O)(OC)OC1C(=O)NC(=O)NC1=O,CI,0
O=NC1C(=O)NC(=O)NC1=O,CI,0
CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O,CI,0
CC(=O)OCCOCN1C(=O)CC(=O)NC1=O,CI,0
CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CCC2C,CI,0
COc1ccc2c(c1)C(O)C(CO)C(C(=O)O)C2,CI,0
O=CC1CCCc2ccccc21,CI,0
COc1ccc(Br)c2c1CC(C(=O)O)CC2,CI,0
OC1c2ccccc2CCC1C(O)(C(F)(F)F)C(F)(F)F,CI,0
O=C(NCC(Cl)=CCl)Nc1cccc2c1CCCC2,CI,0
C[N+](C)(C)C=Nc1cccc2c1CCCC2.[I-],CI,0
COC(=O)C1Cc2c(OC)ccc(OC)c2C(O)C1C(=O)OC,CI,0
O=c1[nH]c2cc(Cl)c(Br)cc2o1,CM,1
O=c1[nH]c2ccc(O)cc2o1,CI,0
Cn1c(=O)oc2cc(Br)ccc21,CI,0
O=c1[nH]c2ccc(Cl)cc2o1,CI,0
CC(=O)c1ccc2c(c1)oc(=O)n2CCN(C)C,CI,0
CC(Cn1c(=O)oc2ccccc21)N(C)C,CI,0
O=C(O)c1ccc2[nH]c(=O)oc2c1,CI,0
O=Cc1ccc2[nH]c(=O)oc2c1,CI,0
CC(C)c1ccc(O)c(=O)cc1,CI,0
O=C(O)Cc1cccc(=O)c(O)c1C(=O)O,CI,0
COc1cc(=O)cc(Cl)c(Cl)c1Cl,CI,0
CCOC(=O)c1cccc(=O)c(C(=O)OCC)c1,CI,0
Cc1cc(C(C)C)cc(=O)c(O)c1,CI,0
Cc1cccc(O)c(=O)c1,CI,0
COc1ccc(C)cc(O)c1=O,CI,0
COc1cc(Cl)cc(O)c(=O)c1OC,CI,0
Cn1c(=O)c2nc(O)c(O)nc2n(C)c1=O,CI,0
Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1CCC(=O)O,CI,0
CCOC(=O)C(CO)c1nc2c(nc1O)c(=O)n(C)c(=O)n2C,CI,0
Cn1c(=O)c2nccnc2n(C)c1=O,CM,1
Cn1c(=O)c2ncc(N)nc2n(C)c1=O,CI,0
Cn1c(=O)c2nc(NCCO)cnc2n(C)c1=O,CI,0
CCNc1cnc2c(n1)c(=O)n(C)c(=O)n2C,CI,0
Cn1c(=O)[nH]c2nccnc2c1=O,CI,0
COc1ccc2c(c1)CCCN2CCCCCCCCCCN(CCC(C)C)CCC(C)C,CI,0
CCCCN(CCCC)CCCCCCCN1CCCc2cc(OC)ccc21,CI,0
CN1CC(C)(C)C(O)c2ccccc21,CI,0
CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,CI,0
N#CC1Nc2ccccc2C(O)C1O,CI,0
NCC1Nc2ccccc2C(O)C1O,CI,0
N#CCN1c2ccccc2CCC1Cl,CI,0
O=C(NCC=CBr)NC1CCNc2ccccc21,CI,0
CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc12.O=P(O)(O)O,CI,0
CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2cc(OC)ccc12.O=P(O)(O)O,CI,0
CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccccc12.O=P(O)(O)O,CI,0
CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2cc(Cl)ccc12.O=P(O)(O)O,CI,0
CCCCN(CCCC)CC(N=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12,CI,0
COc1ccc2nc(-c3ccccc3)cc(N=[N+]=[N-])c2c1,CI,0
O=C(O)c1cc(-c2ccccc2O)nc2ccccc12,CI,0
Cl.NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,CI,0
Clc1nc(Cl)nc(Nc2ccccc2Cl)n1,CI,0
Nc1nc(N)nc(Nc2ccc([As](=O)(O)O)cc2)n1,CI,0
C=CN(c1ccccc1)c1nc(O)nc(O)n1,CI,0
CCN(CC)S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CI,0
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Cl)n2)c1,CI,0
Cc1ccc(Nc2nc(O)nc(O)n2)cc1N=[N+]=[N-],CI,0
CC(=O)Nc1ccc(Nc2nc(O)nc(O)n2)cc1,CI,0
Cc1ccc(Nc2nc(O)nc(O)n2)cc1N,CI,0
CC(=O)c1cc2c(cc1C(C)C)CCC1C(C)(C#N)CCCC21C,CI,0
COC(=O)C1(C)CCCC2(C)c3cc(Br)c(C(C)C)cc3CCC12,CI,0
COC(=O)C1(C)CCCC2(C)c3ccccc3C(OO)CC12,CI,0
CC(O)c1ccc2c(c1)C(O)CC1C(C)(CO)CCCC21C,CI,0
COC(=O)C1(C)CCCC2(C)c3cc(C(C)=O)c(C(C)C)cc3CCC12,CI,0
CC(C)c1ccc2c(c1)CCC1C2(C)CCC(O)C1(C)C,CI,0
CC(C)c1cc2c(cc1S(=O)(=O)O)C1(C)CCCC(C)(C(=O)O)C1CC2,CI,0
CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c(c1O)CCC1C(C)(C)CCCC21C,CI,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CI,0
Nc1nc(O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2n1,CI,0
CN(Cc1nc2c(N)nc(N)nc2nc1O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CI,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3F)cnc2n1.O=C(O)C(F)(F)F,CI,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)O)C(=O)O)cc1.[NaH],CI,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH],CI,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH],CI,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH],CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)OCc6ccccc6[N+](=O)[O-])c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)OCc6ccccc6[N+](=O)[O-])c5)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)OCc6cccc([N+](=O)[O-])c6)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)OCc6cccc([N+](=O)[O-])c6)c5)CCC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)OCc6ccc([N+](=O)[O-])cc6)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)OCc6ccc([N+](=O)[O-])cc6)c5)CCC4(C)C3CCC12C,CM,1
COC(=O)c1ccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4ccc(C(=O)OC)cc4)c(C(=O)OCc4ccc(C(=O)OC)cc4)c3)cc(Cl)c2OCc2ccc(C(=O)OC)cc2)cc1,CI,0
COC(=O)c1cccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4cccc(C(=O)OC)c4)c(C(=O)OCc4cccc(C(=O)OC)c4)c3)cc(Cl)c2OCc2cccc(C(=O)OC)c2)c1,CI,0
COC(=O)Cc1ccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4ccc(CC(=O)OC)cc4)c(C(=O)OCc4ccc(CC(=O)OC)cc4)c3)cc(Cl)c2OCc2ccc(CC(=O)OC)cc2)cc1,CI,0
COC(=O)c1ccccc1COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OCc3ccccc3C(=O)OC)c(C(=O)OCc3ccccc3C(=O)OC)c2)cc(Cl)c1OCc1ccccc1C(=O)OC,CI,0
O=C(O)c1cccc(OCCOc2cccc(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-],CI,0
CC(C)(C)[Si](C)(C)OCc1cccc(OCCOc2cccc(CO[Si](C)(C)C(C)(C)C)c2[N+](=O)[O-])c1[N+](=O)[O-],CI,0
O=CNc1ccccc1OCCOc1ccccc1NC=O,CI,0
N#Cc1ccccc1OCCOc1ccccc1C#N,CI,0
CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2N)c(N)c1,CI,0
CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2NC=O)c(NC=O)c1,CI,0
O=[N+]([O-])c1ccccc1OCCOc1ccccc1[N+](=O)[O-],CI,0
Cc1c(C=NNC(=S)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(C=NNC(=S)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(C=NNC(=S)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(C=NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C,CI,0
COc1ccc(NC(=S)NN=Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0
Cc1c(C=NNC(=S)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C,CI,0
COc1ccccc1NC(=S)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O,CI,0
Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)C(F)(F)F)cc1,CI,0
O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F,CI,0
CC(=O)Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1,CI,0
COC(=O)CC(=O)Nc1sccc1S(=O)(=O)c1ccccc1,CI,0
CC(=O)Nc1sc(Br)cc1S(=O)(=O)c1ccc(Cl)cc1,CI,0
CC(=O)Nc1sc([N+](=O)[O-])cc1S(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1sc(N)c(S(=O)(=O)c2ccccc2)c1C,CM,1
CSc1c(C#N)c(O)n(-c2ccc(C)cc2)c(=O)c1C#N,CM,1
CSc1c(C#N)c(O)n(-c2ccc(Cl)cc2)c(=O)c1C#N,CI,0
CSc1c(C#N)c(N)n(-c2ccc(Cl)cc2)c(=O)c1C#N,CI,0
CSc1c(C#N)c(O)n(-c2ccc(Cl)cc2)c(=O)c1C(C)=O,CI,0
CSc1c(C#N)c(O)n(-c2ccc(C)cc2)c(=O)c1C(C)=O,CI,0
CSc1c(C#N)c(N)n(-c2ccc(C)cc2)c(=O)c1C#N,CI,0
CSc1c(C#N)c(S)n(-c2ccc(Cl)cc2)c(=O)c1C#N,CI,0
Cc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1,CI,0
COc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1,CI,0
COc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1OC,CI,0
COc1ccc(C=C2CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC,CI,0
COc1cc(C=C2CCS(=O)(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC,CI,0
Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1)CCS2(=O)=O,CI,0
Cc1ccc2c(c1)C(=O)C(=Cc1ccc(Cl)cc1)CCS2(=O)=O,CI,0
Cc1nc(N)nc(N)c1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1,CI,0
Cc1nc(N)nc(N)c1N1CCN(c2ccc(C#N)cc2)CC1,CI,0
CCOC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1,CI,0
Cc1nc(N)nc(N)c1N1CCN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)CC1,CI,0
Cc1nc(N)nc(N)c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CI,0
Cc1nc(N)nc(N)c1N1CCN(c2ccc(N)cc2)CC1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1)C(=O)OCC,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC,CI,0
CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1,CI,0
CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1,CI,0
COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1,CI,0
Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1,CI,0
Nc1nc2c(c(-c3ccc(F)cc3)n1)COCC2=Cc1ccc(F)cc1,CI,0
Nc1nc2c(c(-c3cccc(Cl)c3)n1)COCC2=Cc1cccc(Cl)c1,CI,0
Nc1nc2c(c(-c3ccccc3Cl)n1)COCC2=Cc1ccccc1Cl,CI,0
Oc1nc2c(c(-c3ccc(F)cc3)n1)COCC2=Cc1ccc(F)cc1,CI,0
Oc1nc2c(c(-c3ccc(Br)cc3)n1)COCC2=Cc1ccc(Br)cc1,CI,0
Oc1nc2c(c(-c3cccc(Cl)c3)n1)COCC2=Cc1cccc(Cl)c1,CI,0
Oc1nc2c(c(-c3ccccc3Cl)n1)COCC2=Cc1ccccc1Cl,CI,0
N#CCc1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
N#CCc1nc(-c2cc3ccc(O)cc3oc2=O)cs1,CI,0
CCCCCCc1cc2cc(-c3csc(CC#N)n3)c(=O)oc2cc1O,CI,0
Cc1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
CCN(CC)c1ccc2cc(-c3csc(C)n3)c(=O)oc2c1,CI,0
COc1ccc2oc(=O)c(-c3csc(C)n3)cc2c1,CI,0
Cc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1,CI,0
ONC1=Nc2ccccc2C(=S)N2CSCC12,CI,0
CN(C)C1=Nc2ccccc2C(=S)N2CSCC12,CI,0
CN(C)CCNC1=Nc2ccccc2C(=S)N2CSCC12,CI,0
NNC1=Nc2ccc(Cl)cc2C(=S)N2CSCC12,CI,0
ONC1=Nc2cc(Cl)ccc2C(=S)N2CSCC12,CI,0
CNC1=Nc2ccccc2C(=S)N2CSCC12,CI,0
OCCNC1=Nc2ccc(Cl)cc2C(=S)N2CSCC12,CI,0
Cc1ccc(OCC2OC(n3cnc4c(Br)nc(Br)nc43)CC2Oc2ccc(C)cc2)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4c(N(C)C)nc(Br)nc43)CC2Oc2ccc(C)cc2)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4c(Cl)nc(N)nc43)CC2Oc2ccc(C)cc2)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4c(Cl)ncnc43)CC2Oc2ccc(C)cc2)cc1,CI,0
CSc1ncnc2c1ncn2C1CC(Oc2ccc(C)cc2)C(COc2ccc(C)cc2)O1,CI,0
CSc1nc(Br)nc2c1ncn2C1CC(Oc2ccc(C)cc2)C(COc2ccc(C)cc2)O1,CI,0
CSc1nc(SC)c2ncn(C3CC(Oc4ccc(C)cc4)C(COc4ccc(C)cc4)O3)c2n1,CI,0
Cc1ccc2[nH]c3nc(S)nc(O)c3c2c1,CM,1
Oc1nc(O)c2c(n1)[nH]c1ccc(Br)cc12,CI,0
Cc1cc2[nH]c3nc(O)nc(O)c3c2cc1C,CI,0
Cn1c2ccccc2c2c(O)nc(O)nc21,CI,0
Oc1nc(O)c2c(n1)[nH]c1ccccc12,CI,0
Cc1cccc2c1[nH]c1nc(O)nc(O)c12,CI,0
Cc1ccc2[nH]c3nc(O)nc(O)c3c2c1,CI,0
O=C(C1OC1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(C1OC1c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(C1OC1c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(C1OC1c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(C1OC1c1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2,CI,0
COc1ccc(C2OC2C(=O)C23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=C(C1OC1c1ccc(Br)cc1O)C12CC3CC(CC(C3)C1)C2,CI,0
Cc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C)cc4)cc3)cc2)cc1,CI,0
CC(=O)Nc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(NC(C)=O)cc4)cc3)cc2)cc1,CI,0
CN(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(N(C)C)cc4)cc3)cc2)cc1,CI,0
CC(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C(C)C)cc4)cc3)cc2)cc1,CI,0
Clc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1,CI,0
Oc1ccccc1C=Nc1ccc(SSc2ccc(N=Cc3ccccc3O)cc2)cc1,CI,0
C(=Nc1ccc(SSc2ccc(N=Cc3ccccc3)cc2)cc1)c1ccccc1,CI,0
NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1,CI,0
COc1cccc2c(NNc3ccccc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0
COc1cccc2c(NNc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccccc3)c2c1,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccc(Cl)cc3)c2c1,CI,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccc([N+](=O)[O-])cc3)c2c1,CI,0
Cc1ccc2c(c1)C(C1Cc3c(C)cccc3C1=O)OC2=O,CI,0
Cc1cccc2c1CC(C1OC(=O)c3ccccc31)C2=O,CI,0
Cc1ccc2c(c1)C(=O)C(C1OC(=O)c3ccccc31)C2,CI,0
Cc1cccc2c1C(=O)C(C1OC(=O)c3ccccc31)C2,CI,0
Cc1ccc2c(c1)C(C1Cc3cccc(C)c3C1=O)OC2=O,CI,0
Cc1cccc2c1CC(C1OC(=O)c3c(C)cccc31)C2=O,CI,0
O=C1OC(C2Cc3ccccc3C2=O)c2ccccc21,CI,0
COc1cccc2c(=O)oc(-c3ccccc3C)nc12,CI,0
Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)c1,CI,0
Cc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1,CI,0
CC(C)(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CI,0
CC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1,CI,0
CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)o2)cc1,CI,0
COc1cccc2c(=O)oc(-c3ccc(C(C)(C)C)cc3)nc12,CI,0
Oc1cc(-c2ccccc2)cn2c1nc1ccccc12,CI,0
Cc1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1,CI,0
Oc1cc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12,CI,0
COc1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1,CI,0
O=[N+]([O-])c1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1,CI,0
Cc1c(-c2ccccc2)cc(O)c2nc3ccccc3n12,CI,0
COc1cc(-c2ccccc2)cn2c1nc1ccccc12,CI,0
CCOC(=O)C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)OCC,CI,0
CCOC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2,CI,0
O=C(O)C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)O,CI,0
COC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2,CI,0
O=C(O)c1c(CC(Cc2ccc3c(c2)CCC3)C(=O)O)ccc2c1CCC2,CI,0
O=C(O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCC3)C(=O)O)CCC2,CI,0
COC(=O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCC3)C(=O)OC)CCC2,CI,0
COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3,CI,0
OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1O)CCC3,CI,0
OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3,CI,0
O=C(O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4ccc(C(C)=O)cc4C1)C3)CCC2,CI,0
CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(c(C(=O)O)c2C1)CCC3,CI,0
CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3,CI,0
O=C(O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2,CI,0
COC(=O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2,CM,1
CC(=O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2,CI,0
COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1=O)CCC4)CCC2,CI,0
O=C1c2cc3c(cc2CC1Cc1ccc2c(c1)CCC2)CCC3,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3,CI,0
I.O=C(O)c1ccccc1C=NNC1=NCCCCN1,CI,0
CN(N=Cc1ccccc1C(=O)O)C1=NCCCCN1.I,CI,0
CN(N=Cc1ccc(Cl)cc1)C1=NCCCCN1.I,CI,0
CN(N=Cc1ccc(Cl)c(Cl)c1)C1=NCCCCN1.I,CI,0
CN(N=C(C(=O)O)c1ccccc1)C1=NCCCCN1.I,CI,0
COc1cc(C=NNC2=NCCCCN2)ccc1O.I,CI,0
CN(N=Cc1ccc(C(=O)O)cc1)C1=NCCCCN1.I,CI,0
Nc1nc(S)nc2nc3c(c(-c4ccccc4)c12)CCCC3,CI,0
CSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3,CI,0
CCOC(=O)CSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3,CI,0
CCSc1nc(N)c2c(-c3ccc(OC)c(OC)c3)c3c(nc2n1)CCCC3,CI,0
CCOC(=O)CSc1nc(N)c2c(-c3ccc(OC)c(OC)c3)c3c(nc2n1)CCCC3,CI,0
COc1ccc(-c2c3c(nc4nc(S)nc(S)c24)CCCC3)cc1OC,CI,0
COc1ccc(-c2c3c(nc4nc(SC)nc(SC)c24)CCCC3)cc1OC,CI,0
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c(SCC(=O)O)cc1Cl,CI,0
Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1,CM,1
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2)c(S)cc1Cl,CI,0
COc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1,CM,1
COc1cccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)c1,CM,1
COc1cc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc(OC)c1OC,CM,1
CC(=O)Oc1cc(S(=O)(=O)Nc2nc(Nc3ccc(C)cc3)n[nH]2)c(S)cc1Cl,CM,1
CCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1,CI,0
CCC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1,CI,0
CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1,CI,0
CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1,CI,0
CC(C)C=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1,CI,0
CC=CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCC1,CI,0
CC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCC1,CI,0
O=S(=O)(c1ccccc1)c1cccc2c1NCCC2,CM,1
O=[N+]([O-])c1ccccc1S(=O)(=O)c1cccc2c1NCCC2,CM,1
O=[N+]([O-])c1ccccc1S(=O)(=O)c1cc(Cl)cc2c1NCCC2,CA,1
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1cc(Cl)cc2c1NCCC2,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)c1cc(O)cc2c1NCCC2,CI,0
Cc1cc2c(c(S(=O)(=O)c3ccccc3[N+](=O)[O-])c1)NCCC2,CA,1
Cc1cc2c(c(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c1)NCCC2,CI,0
COc1ccccc1C1C2=C(COC2=O)Oc2cc3c(cc21)OCO3,CI,0
COc1ccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c(OC)c1,CI,0
COc1cccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1,CI,0
COc1ccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC,CI,0
O=C1OCC2=C1C(c1ccc(Cl)cc1)c1cc3c(cc1O2)OCO3,CI,0
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O,CI,0
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O,CI,0
O=[N+]([O-])C(C=Nc1ccccc1)=CNc1ccccc1,CI,0
Clc1cccc(N=CC=CNc2cccc(Cl)c2)c1,CI,0
COc1ccc(N=CC=CNc2ccc(OC)cc2)cc1,CI,0
Fc1ccc(N=CC=CNc2ccc(F)cc2)cc1,CI,0
O=[N+]([O-])c1ccc(N=CC=CNc2ccc([N+](=O)[O-])cc2)cc1,CI,0
Clc1cc(Cl)cc(N=CC=CNc2cc(Cl)cc(Cl)c2)c1,CI,0
CS(=O)(=O)c1ccc(N=CC=CNc2ccc(S(C)(=O)=O)cc2)cc1,CI,0
CCOc1ccc(NC(=S)NC=C(C(C)=O)C(=O)Nc2ccccc2C)cc1,CI,0
CC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CNC(=S)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1,CI,0
CC(C)OP(=O)(OC(C)C)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
O=P(O)(O)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
CCN(CC)P(=O)(c1ccc2c(c1)OCCOCCOCCOCCO2)N(CC)CC,CI,0
NS(=O)(=O)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
CCCCCCCCCCCCCCCCNc1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
CCCCCCCCCCCCOCCCCCCCCCC=Cc1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
CC(C)OP(=O)(CCCCCCCCCC=Cc1ccc2c(c1)OCCOCCOCCOCCO2)OC(C)C,CI,0
CC(=O)NC1=NC(=O)C(=Cc2ccccc2Cl)N1C,CI,0
COc1ccc(OC)c(C=C2C(=O)N=C(NC(C)=O)N2C)c1,CI,0
CC(=O)NC1=NC(=O)C(=Cc2ccc(Cl)cc2Cl)N1C,CI,0
COc1cc(C=C2C(=O)N=C(NC(C)=O)N2C)ccc1OC(C)=O,CI,0
CCOc1ccc(C=C2C(=O)N=C(NC(C)=O)N2C)cc1,CI,0
COc1ccc(C=C2C(=O)N=C(NC(C)=O)N2C)cc1OC,CI,0
CC(=O)NC1=NC(=O)C(=Cc2cccc(Cl)c2Cl)N1C,CI,0
Nc1ccc(C(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Cl)cc1,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1O,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(CS)cc1,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(O)cc1,CI,0
O=c1ccn(C2OC3COC(c4c(F)cccc4Cl)N(O)C3C2O)c(=O)[nH]1,CI,0
CC(=O)OC1C2C(COC(c3c(F)cccc3Cl)N2OC(C)=O)OC1n1ccc(=O)[nH]c1=O,CI,0
Cc1cn(C2CC3C(COC(c4ccccc4)N3O)O2)c(=O)[nH]c1=O,CI,0
COc1ccc(C2OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N2OC(C)=O)cc1,CI,0
Cc1cn(C2CC3C(COC(c4ccc([N+](=O)[O-])cc4)N3O)O2)c(=O)[nH]c1=O,CI,0
COc1ccc(C2OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N2O)cc1,CI,0
CC(=O)ON1C(c2ccc([N+](=O)[O-])cc2)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC21,CI,0
CC(=NNC(=O)c1ccncc1)c1ccccc1F,CI,0
CC(=NNC(=O)c1ccncc1)c1cccc(F)c1,CI,0
CC(=NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1,CI,0
COc1ccc(C(C)=NNC(=O)c2ccncc2)c(OC)c1,CI,0
COc1ccc(C(C)=NNC(=O)c2ccncc2)cc1OC,CI,0
CC(=NNC(=O)c1ccncc1)c1ccc(F)cc1,CI,0
O=C(NN=C(c1ccccc1)C(F)(F)F)c1ccncc1,CI,0
O=C1Sc2ccccc2C(=O)N2CSCC12,CI,0
COc1cc2c(cc1OC)C(=O)N1CSCC1C(=O)S2,CI,0
O=C1Sc2cc([N+](=O)[O-])ccc2C(=O)N2CSCC12,CI,0
O=C1Sc2ccc(Cl)cc2C(=O)N2CSCC12,CI,0
O=C1Sc2ccc(Br)cc2C(=O)N2CSCC12,CI,0
COc1ccc2c(c1)C(=O)N1CSCC1C(=O)S2,CI,0
Cc1ccc2c(c1)C(=O)N1CSCC1C(=O)S2,CI,0
N#CC(NNC(=O)c1ccccc1O)c1ccccc1,CI,0
N#CC(NNC(=O)c1ccccc1O)c1ccccc1O,CI,0
N#CC(NNC(=O)c1ccccc1O)c1ccc(O)cc1,CI,0
N#CC(NNC(=O)c1ccccc1O)c1cccc(O)c1,CI,0
COc1cc(C(C#N)NNC(=O)c2ccccc2O)ccc1O,CI,0
COc1ccc(C(C#N)NNC(=O)c2ccccc2O)cc1OC,CI,0
O=C(NNCc1ccccc1O)c1ccccc1O,CI,0
N#CC(NNC(=O)Cc1ccccc1)c1ccccc1O,CI,0
N#CC(NNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
N#CC(NNC(=O)Cc1ccccc1)c1ccc(O)cc1,CI,0
N#CC(NNC(=O)Cc1ccccc1)c1cccc(O)c1,CI,0
COc1ccc(C(C#N)NNC(=O)Cc2ccccc2)cc1OC,CI,0
CN(C)c1ccc(C(C#N)NNC(=O)Cc2ccccc2)cc1,CI,0
COc1cc(C(C#N)NNC(=O)Cc2ccccc2)cc(OC)c1OC,CI,0
Oc1ccc(-c2c3ccccc3c(-c3ccc(O)cc3)c3ccccc23)cc1,CI,0
COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3ccccc23)cc1,CI,0
COc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1,CI,0
BrCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1,CI,0
BrCCCCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1,CI,0
Oc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1,CI,0
COc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O,CA,1
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3OC(C)=O,CA,1
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O[Si](C)(C)C(C)(C)C,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3OC(=O)CCl,CM,1
COCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O,CM,1
CC1Oc2c3c(c4c(CO)cc(=O)oc4c2C(O)C1C)OC(C)(C)C=C3,CI,0
CCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O,CI,0
CCOC(=O)C1Cc2[nH]c3ccccc3c2C(C)C1C,CI,0
CCCNC(=O)Cn1c2c(c3ccccc31)CCCC2,CI,0
CC(C)CNC(=O)Cn1c2c(c3ccccc31)CCCC2,CI,0
CCN(CC)C(=O)Cn1c2c(c3ccccc31)CCCC2,CI,0
CCN(CC)CCOCCn1c2c(c3ccccc31)CCCC2,CI,0
CN(C)CCCOCCn1c2c(c3ccccc31)CCCC2,CI,0
CC(CN(C)C)OCCn1c2c(c3ccccc31)CCCC2,CI,0
COc1ccc2c(c1)OCC1c3cc(O)c(OCc4ccccc4)cc3OC21,CA,1
COc1ccc2c(c1)OCC1c3ccc(OCc4ccccc4)cc3OC21,CM,1
COc1ccc2c(c1)OCC1c3cc(OC)c(OCc4ccccc4)cc3OC21,CA,1
COc1ccc2c(c1)OCC1(C)c3cc(O)c(OCc4ccccc4)cc3OC21,CI,0
COc1ccc2c(c1)OCC1c3cc(O)c(OCc4ccccc4)cc3OC21C,CI,0
CCN(CC)c1cc(OCc2ccccc2)cc2c1C1COc3cc(OC)ccc3C1O2.Cl,CI,0
COc1ccc2c(c1)OC(C)(C)C1c3cc(O)c(OCc4ccccc4)cc3OC21,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1)C(=O)OCC,CI,0
C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1cc(OC)c(OC)c(OC)c1,CI,0
C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1ccc(Cl)c(Cl)c1,CI,0
C#CCN(Cc1ccc2nc(-c3ccccc3)c(N)nc2c1)c1cc(OC)c(OC)c(OC)c1,CI,0
Nc1nc2cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc2nc1-c1ccccc1,CI,0
COc1cc(NCc2ccc3nc(-c4ccccc4)c(N)nc3c2)cc(OC)c1OC,CI,0
C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1ccc(F)cc1,CI,0
Cl.NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
Cl.O=c1oc2ccccc2c(O)c1C(CC(CCN1CCCC1)=NO)c1ccccc1,CI,0
CN(C)N=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
Cl.N=C(N)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
CNN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
COC(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
Cl.N#CCC(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
COc1ccc(NC(=O)C(=O)c2c(O)c3ccc(O)cc3oc2=O)c([N+](=O)[O-])c1,CI,0
Cc1c(Cl)cccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O,CI,0
Cc1ccccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O,CI,0
CCOc1ccccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O,CI,0
N#Cc1ccccc1NC(=O)C(=O)c1c(O)c2ccccc2oc1=O,CI,0
CC(=O)c1cccc(NC(=O)C(=O)c2c(O)c3ccccc3oc2=O)c1,CI,0
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1c(O)c2ccccc2oc1=O,CI,0
COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc([N+](=O)[O-])cc2)cc1,CI,0
O=[N+]([O-])c1ccc(-n2nnc(C3=NCCCN3)c2-c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0
Clc1ccc(-n2nnc(C3=NCCCN3)c2-c2ccccc2)cc1,CI,0
Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1,CI,0
Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)cccc23)cc1,CI,0
CS(=O)(=O)OCCN1CCN(C(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)CC1,CI,0
CS(=O)(=O)OCCN1CCN(C(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)CC1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)ccc(Cl)c23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)ccc(Cl)c23)cc1,CI,0
CS(=O)(=O)OCCN1CCN(C(=O)c2ccc(Cl)c3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)CC1,CI,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCN)c1ccc(Cl)cc1.Cl,CI,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Br)cc1.Cl.[NaH],CI,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccccc1,CI,0
Cc1ccc(C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1,CI,0
COc1ccc(C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1,CI,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)cc1,CI,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)c(Cl)c1,CI,0
CC(=O)NC(CCCCNCc1ccccc1)C(=O)NCc1ccccc1,CI,0
CNC(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0
CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)N(C)N=O)C(=O)NCc1ccccc1,CI,0
C=CCNC(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0
C=CCN(N=O)C(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0
CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)NCCCl)C(=O)NCc1ccccc1,CI,0
CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc1ccccc1,CI,0
CC(=O)NC(CCCNCc1ccccc1)C(=O)NCc1ccccc1,CI,0
CNC(=O)N(CCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0
CC(=O)NC(CCCN(Cc1ccccc1)C(=O)N(C)N=O)C(=O)NCc1ccccc1,CI,0
C=CCNC(=O)N(CCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0
C=CCN(N=O)C(=O)N(CCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0
CC(=O)NC(CCCN(Cc1ccccc1)C(=O)NCCCl)C(=O)NCc1ccccc1,CI,0
CC(=O)NC(CCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc1ccccc1,CI,0
CC(=NO)c1sc(-c2nc(C)c(C(C)=NO)s2)nc1C,CI,0
CC(=NNC(C)(C)C)c1sc(-c2nc(C)c(C(C)=NNC(C)(C)C)s2)nc1C,CI,0
CC(=NNC(N)=O)c1sc(-c2nc(C)c(C(C)=NNC(N)=O)s2)nc1C,CI,0
CC(=NNC(=N)N)c1sc(-c2nc(C)c(C(C)=NNC(=N)N)s2)nc1C,CI,0
COC(=O)NN=C(C)c1sc(-c2nc(C)c(C(C)=NNC(=O)OC)s2)nc1C,CI,0
CC(=NN)c1sc(-c2nc(C)c(C(C)=NN)s2)nc1C,CI,0
Cc1nc(-c2nc(C)c(C(=O)NN(C)C)s2)sc1C(=O)NN(C)C,CI,0
Cc1cc(C)nc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1,CI,0
CCc1c(O)nc(Nc2nc3ccccc3[nH]2)nc1O,CI,0
Cc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1CCO,CI,0
Cc1cc(Cl)nc(Nc2nc3ccccc3[nH]2)n1,CI,0
Cc1c(Cl)nc(Nc2nc3ccccc3[nH]2)nc1Cl,CI,0
Cc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1CCCl,CI,0
CCCc1c(O)nc(Nc2nc3ccccc3[nH]2)nc1O,CI,0
COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-],CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C(Cc1nc2ccccc2nc1O)C(=O)OC,CI,0
COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)C(=O)Nc1cc(C)ccc1C,CI,0
COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)C(=O)Nc1ccccc1[N+](=O)[O-],CI,0
COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc(F)cc1,CI,0
COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,CI,0
O=C1C2=C(c3ccccc31)C(c1ccccc1)N1C(=O)CSC1=N2,CI,0
CC(C)c1ccc(C2C3=C(N=C4SCC(=O)N42)C(=O)c2ccccc23)cc1,CI,0
CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccc(F)cc3)N2C1=O,CI,0
O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)N1C(=O)CSC1=N2,CI,0
CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccccc3Cl)N2C1=O,CI,0
CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccc(Cl)cc3)N2C1=O,CI,0
CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccc(Br)cc3)N2C1=O,CI,0
NNC(=S)NN=C(CC1OC(=O)c2ccccc21)c1ccccc1O,CI,0
CCC(C(=NNC(=O)C[N+](C)(C)C)c1ccccc1)C1OC(=O)c2ccccc21.[Cl-],CI,0
NC(=S)NN=C(CC1OC(=O)c2ccccc21)c1ccc(Cl)cc1,CI,0
NC(=O)NN=C(CC1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C(CC2OC(=O)c3ccccc32)=NNC(N)=O)cc1,CI,0
COc1ccc(C(CC2OC(=O)c3ccccc32)=NNC(=O)C[N+](C)(C)C)cc1.[Cl-],CI,0
C[N+](C)(C)CC(=O)NN=C(CC1OC(=O)c2ccccc21)c1ccccc1O.[Cl-],CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CC(=O)OC1C(COC(N)=O)OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=O,CI,0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1,CM,1
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1,CI,0
CC(C)(C)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(C)(C)C,CI,0
CCCCCCCCCCCCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCCCCCCCCCCC,CI,0
CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCCCCCCCCCCCCCCCCC,CI,0
CNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC,CM,1
CC(=O)c1ccc([Se][Se]c2ccc(C(C)=O)cc2)cc1,CI,0
NC(=O)c1ccc([Se][Se]c2ccc(C(N)=O)cc2)cc1,CI,0
CCCCCCCCCCCCNC(=O)c1ccc([Se][Se]c2ccc(C(=O)NCCCCCCCCCCCC)cc2)cc1,CI,0
CC(C)(C)n1[se]c2ccccc2c1=O,CI,0
CCCCCCCCCCCCn1[se]c2ccccc2c1=O,CM,1
CCCCCCCCCCCCCCCCCCn1[se]c2ccccc2c1=O,CI,0
O=C(O)Cn1[se]c2ccccc2c1=O,CM,1
CC(C(=O)O)n1[se]c2ccccc2c1=O,CM,1
CC(C)C(C(=O)O)n1[se]c2ccccc2c1=O,CM,1
O=C(O)CNC(=O)Cn1[se]c2ccccc2c1=O,CM,1
COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Br,CI,0
COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Cl,CM,1
COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)I,CA,1
CC1(Br)C(=O)NC(=O)N(C2C=CC(CO)O2)C1N=[N+]=[N-],CA,1
CCOC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Br,CI,0
COC1(C)C(=O)NC(=O)N(C2C=CC(CO)O2)C1O,CA,1
CC1(Br)C(=O)NC(=O)N(C2C=CC(CO)O2)C1O,CI,0
CCCCCCCCCCCCCCCc1nnc(SCC(=O)O)[nH]1,CI,0
CCOC(=O)Nn1c(C)nnc1CC#N,CI,0
Cc1nnc(CC#N)n1NC(=O)CC#N,CI,0
CCOC(=O)Nn1cnnc1C,CI,0
CCc1nnc(CC)n1NCCCC(=O)O,CI,0
COC(=O)CSC(=S)Nc1nnc(NC(=S)SCOC(C)=O)n1C(=S)SCC(=O)OC,CI,0
CNC(=Nn1cnnc1)OC,CI,0
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2C)C(C(=O)NCc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)NCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)C(C(=O)NCc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)NCc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)NCc2ccccc2)C(c2ccc(N(C)C)cc2)C(C(=O)NCc2ccccc2)=C(C)N1,CI,0
COc1cc(C2C(C(=O)NCc3ccccc3)=C(C)NC(C)=C2C(=O)NCc2ccccc2)ccc1O,CI,0
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2O)C(C(=O)NCc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2[N+](=O)[O-])C(C(=O)NCc2ccccc2)=C(C)N1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)no1,CM,1
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)no1,CA,1
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)ccc(Cl)c34)cc2)no1,CI,0
CC(=O)Nc1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)c4ccccc4nc23)cc1,CI,0
CCOC(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)c4ccccc4nc23)cc1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)O)cc5)cccc34)cc2)no1,CM,1
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccccc5)cccc34)cc2)no1,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccc(Cl)cc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)ccc(Cl)c23)cc1,CI,0
ON=C1C(=Cc2ccc(F)cc2)CCCC1C(NO)c1ccc(F)cc1,CI,0
Cc1ccc(C=C2CCCC(C(NO)c3ccc(C)cc3)C2=NO)cc1,CI,0
COc1ccc(C=C2CCCC(C(NO)c3ccc(OC)cc3)C2=NO)cc1,CI,0
ON=C1C(=Cc2ccc(Cl)cc2)CCCC1C(NO)c1ccc(Cl)cc1,CI,0
ON=C1C(=Cc2ccc(Cl)c(Cl)c2)CCCC1C(NO)c1ccc(Cl)c(Cl)c1,CI,0
ON=C1C(=Cc2ccc(Br)cc2)CCCC1C(NO)c1ccc(Br)cc1,CI,0
ON=C1C(=Cc2ccccc2)CCCC1C(NO)c1ccccc1,CI,0
c1ccc(Cc2nc3ccccc3[nH]2)cc1,CI,0
CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21,CI,0
CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccc(Cl)cc21.Cl,CI,0
CCN(CC)CCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21.Cl,CI,0
CCN(CC)CCn1c(Cc2cccc(OC)c2)nc2ccccc21,CI,0
Oc1ccc(Cc2nc3ccccc3[nH]2)cc1,CI,0
COc1ccc(Cc2nc3ccccc3[nH]2)cc1OC,CI,0
Cc1cc2c(C)nn(Cc3ccccc3)c2c(C(N)=O)c1C,CI,0
Cc1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c(C#N)c1C,CI,0
Cc1cc2c(C)nn(Cc3ccccc3)c2c(C(=O)O)c1C,CI,0
Cc1cc2c(C)nn(Cc3ccc(Cl)cc3)c2c(C#N)c1C,CI,0
Cc1cc2c(C)nn(Cc3ccccc3Cl)c2c(C#N)c1C,CI,0
COc1nn(Cc2ccccc2F)c2ccc([N+](=O)[O-])cc12,CI,0
COc1ccccc1Cn1nc(OC)c2cc([N+](=O)[O-])ccc21,CI,0
CN(C)CC1CCCCC1=NOC(=O)c1ccccc1.Cl,CI,0
CN(C)CC1CCCCC1=NOC(=O)c1ccc(Cl)cc1.Cl,CI,0
CN(C)CC1CCCCC1=NOC(=O)c1ccc(Cl)c(Cl)c1.Cl,CI,0
Cc1ccc(C(=O)ON=C2CCCCC2CN(C)C)cc1.Cl,CI,0
COc1ccc(C(=O)ON=C2CCCCC2CN(C)C)cc1.Cl,CI,0
C[N+](C)(C)CC1CCCCC1=NOC(=O)c1ccccc1.[I-],CI,0
CN(C)CC1CCCC(CN(C)C)C1=NOC(=O)c1ccccc1.Cl,CI,0
COc1cc(Br)c(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC,CI,0
COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1Br,CI,0
COc1cc2c(cc1OC)C(Cc1ccccc1CCCl)=NCC2.Cl,CI,0
COc1ccc2c(c1)CCN=C2Cc1ccccc1CCCl.Cl,CI,0
Cl.ClCCc1ccccc1CC1=NCCc2ccccc21,CI,0
COc1cc(CCCl)c(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC.Cl,CI,0
COc1ccc2c(c1)CCN=C2Cc1cc(OC)c(OC)cc1CCCl.Cl,CI,0
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C(C)O,CI,0
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(N)=O)C(C)O,CI,0
CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(N)=O)C(C)O,CI,0
CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(C)O)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(N)CCCCN)C(C)O)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)N)C(C)O)C(=O)O,CI,0
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)O,CI,0
NCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,CI,0
CC12C(=O)N(CCN)C(=O)C1C1c3ccccc3C2c2ccccc21,CI,0
CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(N=C(C)C)C(=O)C12,CI,0
CC(=O)OCC(C)(COC(C)=O)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,CI,0
CC(CO)(CO)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,CI,0
O=CC12c3ccccc3C(c3ccccc31)C1C(=O)NC(=O)C12,CI,0
C=CCCCN1C(=O)C2C3c4ccccc4C(C=O)(c4ccccc43)C2C1=O,CI,0
ON1CCc2c([nH]c3ccccc23)C1c1ccccc1Br,CI,0
ON1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,CI,0
COC(=O)C1Cc2c(n(C)c3ccccc23)C(c2ccccc2)N1,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2O)N1,CI,0
CC(C)OC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1,CI,0
CN(C)c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)C31,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(F)cc1)C1C(=O)N(c2ccc(F)cc2)C(=O)C31,CI,0
O=C1C2C(C(=O)N1c1ccc(Br)cc1)C1([N+](=O)[O-])C=C3c4ccccc4N(c4ccccc4)C32C2C(=O)N(c3ccc(Br)cc3)C(=O)C21,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(Cl)cc1)C1C(=O)N(c2ccc(Cl)cc2)C(=O)C31,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(Br)cc1)C1C(=O)N(c2ccc(Br)cc2)C(=O)C31,CI,0
COc1cccc(N2C(=O)C3C4C=C5c6ccccc6N(c6ccccc6)C5(C3C2=O)C2C(=O)N(c3cccc(OC)c3)C(=O)C42)c1,CI,0
O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc([N+](=O)[O-])cc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C31,CI,0
Cc1ccccc1C(C#N)C(=NNC(=O)C(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1ccc(NC(=O)C(=NNC(N)=S)C(C#N)c2ccccc2C)cc1C,CI,0
Cc1ccc(C)c(NC(=O)C(=NNC(N)=S)C(C#N)c2ccccc2)c1,CI,0
N#CC(C(=NNC(N)=S)C(=O)Nc1cccc(Cl)c1)c1ccccc1,CI,0
Cc1ccccc1NC(=O)C(=NNC(N)=S)C(C#N)c1ccccc1,CI,0
Cc1ccccc1C(C#N)C(=NNC(N)=S)C(=O)Nc1c(C)cccc1C,CI,0
Cc1cccc(C(C)C)c1NC(=O)C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])=NNC(=O)CC#N,CI,0
O=C1OC(CC(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl,CI,0
O=C1OC(CC(=O)c2ccc(Cl)cc2Cl)C(Cl)=C1Cl,CI,0
CC(C(=O)c1ccc(Cl)cc1)C1OC(=O)C(Cl)=C1Cl,CI,0
O=C1OC(CC(=O)c2ccc(Cl)c(Cl)c2)C(Cl)=C1Cl,CI,0
O=C1OC(CC(=O)c2ccccc2Cl)C(Cl)=C1Cl,CI,0
O=C1OC(CC(=O)c2ccc(F)cc2)C(Cl)=C1Cl,CI,0
COc1cc(C(=O)CC2OC(=O)C(Cl)=C2Cl)ccc1Cl,CI,0
OC1CC2C=CCC(C1)C2,CI,0
O=C(O)C1CC2C=CCC(C2)C1,CI,0
OCC1CC2C=CCC(C2)C1,CI,0
OC1C2C=CCC1CCC2,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)CCC1C2C(=O)OC,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)CC1C2C(=O)OC,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)C(C)C1C2C(=O)OC,CI,0
O=c1ccccc2cccc(O)c12,CI,0
COc1ccc(OC(C)C(=O)O)c2c(=O)ccccc12,CI,0
CCC(Oc1ccc(OC)c2ccccc(=O)c12)C(=O)O,CI,0
COc1ccc(O)c2c(=O)ccccc12,CI,0
COc1cc2cccc(OC)c(=O)c2c(O)c1OC,CI,0
O=c1c(O)cccc2cc(O)c(O)c(O)c12,CI,0
O=C(O)COc1cccc2ccccc(=O)c12,CI,0
CC1(C)CCc2ccc(OCCC(=O)O)cc2O1,CI,0
CC1(C)CCc2ccc(OCCC#N)cc2O1,CI,0
CC1(C(=O)O)CCOc2ccccc21,CI,0
COc1cc2c(cc1OC)C(O)C(Br)C(C)(C)O2,CI,0
OC1CCOc2ccccc21,CI,0
CC1CC(O)c2ccccc2O1,CI,0
CC1CCc2ccccc2O1,CI,0
NS(=O)(=O)c1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1,CI,0
Cc1cc(Cl)ccc1NC(=O)C1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O,CI,0
O=C(Nc1ccc(Cl)cc1)C1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O,CI,0
Cc1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(C)cc3)C2=O)cc1,CI,0
O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)C(=O)N(c2ccc(Cl)cc2Cl)C1=O,CI,0
O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O,CI,0
O=C(O)c1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1,CI,0
CC(=O)OCc1nnn2c1CCC2,CI,0
CC(C)NC(=O)OCc1nnn2c1CCC2,CI,0
CC(=O)OC1CCn2nnc(COC(=O)NC(C)C)c21,CI,0
CC(=O)OC1CCn2nnc(CO)c21,CI,0
CC(C)NC(=O)OCc1nnn2c1C(OC(=O)NC(C)C)CC2,CI,0
CC(=O)OCc1nnn2c1C(OC(C)=O)CC2,CI,0
CC(=O)OC1CCn2nnc(CO[Si](C)(C)C(C)(C)C)c21,CI,0
Cc1ccc(NC(=O)CCc2cc(C(C)(C)C)nc(NC#N)n2)cc1C,CI,0
CCc1cc(CCC(=O)Nc2c(C)cccc2C)nc(NC#N)n1,CI,0
Cc1ccc(NC(=O)CCc2cc(C(C)(C)C)nc(S)n2)cc1C,CI,0
CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(S)n1,CI,0
CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)nc(N)n1,CI,0
CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(NC#N)n1,CI,0
CCc1cc(CCC(=O)Nc2ccccc2[N+](=O)[O-])nc(S)n1,CI,0
N#CNc1nc(N)c(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1,CI,0
Cc1ccccc1-c1c(N)nc(NC#N)nc1C(=O)Nc1ccccc1,CI,0
Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccccc2)n1,CI,0
Cc1ccc(NC(=O)c2nc(S)nc(N)c2-c2ccccc2C)cc1C,CI,0
Nc1nc(S)nc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1,CI,0
Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1,CI,0
Cc1ccccc1NC(=O)c1nc(S)nc(N)c1-c1ccccc1C,CI,0
COc1ccc2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1,CI,0
COc1ccc2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1,CI,0
CCN(CC)c1ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc2c1,CI,0
COc1cc(OC)c2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1,CI,0
COc1ccc2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1OC,CI,0
Cc1ccc(S(=O)(=O)c2c(O)c3ccc(O)c(C)c3oc2=O)cc1,CI,0
Cc1cc(C)c2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1,CI,0
O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccc(Cl)cc1,CI,0
O=C(NC1C=Nc2ccccc2NC1=O)c1ccc(Cl)cc1,CI,0
O=C(NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1ccc(Cl)cc1,CI,0
Cc1cc2c(cc1C)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C=N2,CI,0
O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccccc1Cl,CI,0
O=C(NC1C=Nc2ccccc2NC1=O)c1ccccc1Cl,CI,0
O=C(NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1,CI,0
O=C1CS(=O)(=O)C(c2ccccc2)N1N1C(=O)CS(=O)(=O)C1c1ccccc1,CI,0
O=C1CS(=O)(=O)C(c2ccc(Cl)cc2)N1N1C(=O)CS(=O)(=O)C1c1ccc(Cl)cc1,CI,0
O=C1CS(=O)(=O)C(c2ccccc2Cl)N1N1C(=O)CS(=O)(=O)C1c1ccccc1Cl,CI,0
O=C1CS(=O)(=O)C(c2cccc(Cl)c2)N1N1C(=O)CS(=O)(=O)C1c1cccc(Cl)c1,CI,0
O=C1CS(=O)(=O)C(c2ccc(F)cc2)N1N1C(=O)CS(=O)(=O)C1c1ccc(F)cc1,CI,0
O=C1CS(=O)(=O)C(c2ccccc2F)N1N1C(=O)CS(=O)(=O)C1c1ccccc1F,CI,0
O=C1CS(=O)(=O)C(c2cccc(F)c2)N1N1C(=O)CS(=O)(=O)C1c1cccc(F)c1,CI,0
CCOC1(NC(=O)N(C)C)C2CCCCC21,CI,0
CCOC(=O)C1([N+](=O)[O-])C2CCCCC21,CI,0
CSC1CC2C(CC1(C)SC)C2(C)C,CI,0
CSC1CC2C(CC1(C)O)C2(C)C,CI,0
CC(C)SC1CC2C(CC1(C)O)C2(C)C,CI,0
CC1(O)CC2C(CC1SCCO)C2(C)C,CI,0
CC(C)=CCSC1CC2C(CC1(C)O)C2(C)C,CI,0
Cc1ccc(C2NC(=O)N3C(c4ccc(C)cc4)NC(=O)N23)cc1,CI,0
Cc1cccc(C2NC(=O)N3C(c4cccc(C)c4)NC(=O)N23)c1,CI,0
O=C1NC(c2cccc(Cl)c2)N2C(=O)NC(c3cccc(Cl)c3)N12,CI,0
COc1cccc(C2NC(=O)N3C(c4cccc(OC)c4)NC(=O)N23)c1,CI,0
COc1ccc(C2NC(=O)N3C(c4ccc(OC)cc4)NC(=O)N23)cc1,CI,0
COc1ccc(C2NC(=O)N3C(c4ccc(OC)c(OC)c4)NC(=O)N23)cc1OC,CI,0
O=C=NCCCCCCN1C(=O)N2C(c3ccccc3)N(CCCCCCN=C=O)C(=O)N2C1c1ccccc1,CI,0
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)CCl,CI,0
CCOP(=O)(OCC)C(Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)OCc1ccccc1,CI,0
COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1,CM,1
CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1,CI,0
CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O,CI,0
CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NN.Cl,CI,0
CCC1(CCC#N)CCC(N)=CC1=O,CI,0
CCCCCCCCCCCC(=O)C1=C(O)CCC(O)C1=O,CI,0
CC#CCC1CCC(OCC)=CC1=O,CI,0
CCCCCCCCCCCC(=O)C1=C(O)CCCC1=O,CI,0
CCCCCCCCCCCC(=O)C1=C(O)CC(O)CC1=O,CI,0
CC1=CC(=O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
C=C(C)C1CC(=O)C(C)=C(O)C1,CI,0
CN(C)C=Nc1c(C#N)c(CC#N)nn1-c1ccccc1,CI,0
CC(=O)c1c(O)ccc(O)c1-n1nc(C)c([N+](=O)[O-])c1C,CI,0
CCCCCCCCCCCCSC(=S)c1c(C)nn(-c2ccccc2)c1O,CI,0
Oc1ccc(O)c(-n2cccn2)c1,CI,0
CC(=O)c1c(P(=O)(OC(C)C)OC(C)C)nn(-c2ccc([N+](=O)[O-])cc2)c1C,CI,0
Cc1nn(-c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1Cl,CI,0
ClCc1nn(-c2ccccc2)c(CCl)c1CCl,CI,0
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccccc1,CI,0
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,CI,0
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1,CI,0
CC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CNC(=O)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
ON=C1CCCCC1=Cc1ccc(Cl)cc1,CI,0
ON=C1CCCCC1=Cc1ccccc1,CI,0
Cc1ccc(C=C2CCCCC2=NO)cc1,CI,0
ON=C1CCCCC1=Cc1ccc(Cl)c(Cl)c1,CI,0
NC(=O)NN=C1CCCCC1=Cc1ccccc1,CI,0
COc1ccc(C=C2CCCCC2=NO)cc1,CI,0
NC(=S)NN=C1CCCCC1=Cc1ccccc1,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1c3ccccc3[s+]cc21,CI,0
COc1ccc2[nH]c3c4ccccc4[s+]cc3c2c1.[O-][Cl+3]([O-])([O-])O,CI,0
Cc1ccc2[s+]cc3c4ccccc4[nH]c3c2c1.[O-][Cl+3]([O-])([O-])O,CI,0
COc1ccc2c(c1)[nH]c1c3ccccc3[s+]cc21.[O-][Cl+3]([O-])([O-])O,CI,0
Cc1[s+]c2ccccc2c2[nH]c3ccccc3c12.[O-][Cl+3]([O-])([O-])O,CI,0
Cc1cc2[nH]c3c4ccccc4[s+]cc3c2cc1C,CI,0
Cc1ccc2c(c1)[s+]cc1c3ccccc3[nH]c21,CI,0
COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1C,CI,0
COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3C(C2)N1C,CI,0
COc1cc2c(cc1O)C1Cc3cc(O)c(OC)cc3C(C2)N1C,CI,0
C=CCN1C2Cc3cc(OC)c(OC)cc3C1Cc1cc(OC)c(OC)cc12.Cl,CI,0
COc1ccc2c(c1)CC1NC2Cc2ccccc21,CI,0
COc1ccc2c(c1)CC1c3c(ccc(OC)c3O)CC2N1C,CI,0
COc1cc2c(cc1O)C1Cc3cc(OC)c(OC)cc3C(C2)N1C,CI,0
COC(=O)c1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OC,CI,0
COC(=O)NN=Cc1oc(-c2ccccc2)c(-c2ccccc2)c1[N+](=O)[O-],CI,0
C[N+](C)(C)CC(=O)NN=Cc1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-].[Cl-],CI,0
COC(=O)NN=Cc1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-],CI,0
COc1ccc(-c2oc(C=NNC(N)=S)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC,CI,0
C=C(C[N+](C)(C)C)NN=Cc1oc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)c1[N+](=O)[O-].[Cl-],CI,0
N#Cc1c(N)oc(-c2ccccc2)c1-c1ccccc1,CI,0
COc1ccc(S(C)=NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
COc1cccc(S(C)=NS(=O)(=O)c2ccc(C)cc2)c1,CI,0
Cc1ccc(S(=O)(=O)N=S(C)c2ccc(Cl)cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)N=S(C)c2cccc(Cl)c2)cc1,CI,0
COS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-],CI,0
CCOS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-],CI,0
CCCOS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-],CI,0
O=c1[nH]c(=O)n(C2C=CC(CO)O2)cc1F,CI,0
Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,CA,1
O=c1[nH]c(=O)n(C2C=CC(CO)O2)cc1C(OCC(F)(F)F)OCC(F)(F)F,CI,0
COCc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2C=CC(CO)(C(F)(F)F)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2C=CC(COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O,CA,1
CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1,CA,1
N#CNC(=N)NC1=CC(=O)C(=O)c2ccccc21,CI,0
CCOC(=O)C(C#N)C1=CC(=O)C(=O)c2ccc(O)cc21,CI,0
COC1=C(C)C(=O)C(=O)c2ccccc21,CI,0
CCCCCCN(CCCCCC)C1=CC(=O)C(=O)c2ccccc21.Cl,CI,0
CC(C)=CCCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2,CI,0
CC1=Cc2cccc(C)c2C(=O)C1=O,CI,0
CC(O)CNC1=CC(=O)C(=O)c2ccccc21,CI,0
CCOC(=O)NC1=NCCS1,CI,0
CCOC(=O)NC1=NCC(C)S1,CI,0
CCOC(=O)NC1=NCC(C)(C)S1,CI,0
CCC(C)NC1=NCC(C)S1,CI,0
CC(C)CNC1=NCC(C)S1,CI,0
CCOC(=O)NC(NC1=NCCS1)(C(=O)OCC)C(F)(F)F,CI,0
CCOC(=O)NC(=S)NN(C)C1=NCC(C)(C)S1,CI,0
Cc1coc2c1CC1(C)C(CCC(O)C1C)C2,CI,0
Cc1coc2c1C(O)C1(C)C(C)CCC(O)C1(O)C2,CI,0
Cc1coc2c1C(O)C1(C)C(C)CCCC1C2,CI,0
CC=C(C)C(=O)OC1c2c(C)coc2CC2CCC(O)C(C)C21C,CI,0
Cc1coc2c1CC1(C)C(C)CCCC1C2O,CI,0
CC=C(C)C(=O)OC1CC(C)C2(C)Cc3c(C)coc3C(O)C2C1,CI,0
CSC=CC(=O)OC1CC(C)C2(C)Cc3c(C)coc3C(O)C2C1,CI,0
Cc1cc2c(cc1C)NC(=O)CC(c1ccccc1)=N2,CI,0
O=C1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2N1,CI,0
Cc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2,CI,0
O=C1CC(c2ccccc2)=Nc2ccccc2N1,CI,0
Cc1ccc(C2=Nc3ccccc3NC(=O)C2)cc1,CI,0
COc1ccc(C2=Nc3ccccc3NC(=O)C2)cc1,CI,0
O=C1CC(c2ccc(Cl)cc2)=Nc2ccccc2N1,CI,0
Cc1cc(C)c2c(c1)CC2(Cl)Cl,CI,0
COc1cc2c(cc1OC)C(CN)C2,CI,0
COc1cc2c(cc1OC)C(C#N)C2,CI,0
CCC(=O)NC1Cc2cc(C)cc(C)c21,CI,0
Cc1cc(C)c2c(c1)CC2N,CI,0
CCCC(=O)NC1Cc2cc(C)cc(C)c21,CI,0
CCN(CC)c1ccc(Cl)c2c1C(O)(C(C)C)C2(C)C,CI,0
CN(C)CC1(C)Cc2cc(Cl)sc2C1=O,CI,0
CN(C)CC1Cc2ccsc2C1=O,CI,0
O=C1c2sccc2C(NC(=O)C(F)(F)F)C1Cl,CI,0
Cl.NC1c2ccsc2C(=O)C1O,CI,0
BC(=O)NC(CC(C)C)C(=O)NC1c2ccsc2C(=O)C1O.CN(C)C,CI,0
BC(=O)NC(CC(C)C)C(=O)NCC(=O)NC1c2ccsc2C(=O)C1O.CN(C)C,CI,0
Cl.NC1CC(=O)c2sc(I)cc21,CI,0
O=C(O)CCC(=O)c1ccc2oc3ccccc3c2c1,CI,0
CCCN(CCC)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCCN(CCC)CCC)cc3c2c1,CI,0
CCCCN(CCCC)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCCN(CCCC)CCCC)cc3c2c1,CI,0
CC(C)(C)OC(=O)NCCc1cccc2c1oc1c(CCC(=O)O)cccc12.[NaH],CI,0
O=C(O)CCc1cccc2c1oc1c(CCC(=O)O)cccc12,CI,0
CC(C)CNC(=O)CCc1cccc2c1oc1c(CCN)cccc12,CI,0
NC(=S)Nc1ccc2c(c1)oc1ccccc12,CI,0
CSc1nc2[nH]c(=O)n(O)c(=O)c2n1Cc1ccccc1,CI,0
Cn1c(=O)c2c(ncn2Cc2ccc(O)c([N+](=O)[O-])c2)n(C)c1=O,CI,0
O=C(O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1,CI,0
CCOC(=O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1,CI,0
CCOC(=O)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccccc1,CI,0
Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2)n(C)c1=O,CI,0
Nn1c(=O)[nH]c2ncn(Cc3ccccc3)c2c1=O,CI,0
Brc1cc2[nH]c(-c3ccccc3)c(Br)c2c(Br)c1Br,CI,0
Nc1ccc(-c2cc3ccccc3[nH]2)cc1,CI,0
CCCNC(=O)Cn1c(-c2ccccc2)cc2ccccc21,CI,0
CC(C)CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21,CI,0
CCN(CC)C(=O)Cn1c(-c2ccccc2)cc2ccccc21,CI,0
O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F,CI,0
O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)C(F)(F)F,CI,0
COC1OC2COC(c3ccccc3)OC2C(S)C1S,CI,0
COC1CC(O)C2OC(c3ccccc3)OCC2O1,CI,0
COC1CC(OC)C2OC(c3ccccc3)OCC2O1,CI,0
CCOC(=O)CNC1C(NC(C)=O)C(OC)OC2COC(c3ccccc3)OC21,CI,0
COC1CC(C)(NC(=O)C(F)(F)F)C2OC(c3ccccc3)OCC2O1,CI,0
COC1CC(C)(NC(C)=O)C2OC(c3ccccc3)OCC2O1,CI,0
CCCC1(NC(=O)C(F)(F)F)CC(OC)OC2COC(c3ccccc3)OC21,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1C(C2)N(C)CC3,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,CI,0
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4,CI,0
COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4,CI,0
COc1cc(O)c2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,CI,0
CN1CCc2cc(O)c3cc2C1Cc1ccc(cc1)Oc1cc(ccc1OC(=O)C(C)(C)C)CC1c2c(cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2O3)CCN1C,CI,0
Nc1ccc2nc3ccc(O)cc3nc2c1.[Na]S[Na],CI,0
COC(=O)c1ccc(C(=O)OC)c2nc3cc(Cl)ccc3nc12,CI,0
COC(=O)c1ccc(C(=O)OC)c2nc3cc(C)ccc3nc12,CI,0
CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(C(=O)NC(C(=O)O)C(C)C)ccc3nc12,CI,0
CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(Cl)c(Cl)cc3nc12,CI,0
CCCCCCCCCCCc1c(O)c(O)cc2nc3ccc(SCCC)cc3nc12,CI,0
COc1cccc2nc3cc(C)c(C)cc3nc12,CI,0
Cc1nnc2sc3ccccc3n12,CI,0
Cc1ccc2c(c1)sc1nncn12,CI,0
Cc1ccc2c(c1)sc1nnc(Cl)n12,CI,0
CSc1nnc2sc3cc(C)ccc3n12,CI,0
Cc1ccc2c(c1)sc1nnc(S(C)(=O)=O)n12,CI,0
Cc1ccc2c(c1)sc1nnc(C)n12,CI,0
Cc1cc(C)c2c(c1)sc1nncn12,CI,0
N#CCN1CCCCCC1,CI,0
NCCCC1CCCCNC1,CI,0
N#CC(C#N)=CN1CCCCCC1,CI,0
CC#CCCC1CCCCN(C(=O)OC(C)(C)C)C1OCC,CI,0
CC=CCCC1CCCCN(C(=O)OC(C)(C)C)C1OCC,CI,0
CC#CCCC1(C)CCCCN(C(=O)OC(C)C)C1OCC,CI,0
CC#CCCC1CCCCN(C(=O)OC)C1OCC,CI,0
OCC1(CO)CSSC1,CM,1
O=C(O)C1CC(C(=O)O)SS1,CI,0
NC(=O)CCCCC1CCSS1,CI,0
O=C(O)CCCCC1CCSS1,CI,0
NC1(C(=O)O)CSSC1,CI,0
O=C(O)C1CCSS1,CI,0
NC(=O)CNC(=O)CCCCC1CCSS1,CM,1
NCCN1C(=O)c2ccccc2C1(O)c1ccccc1,CI,0
CN1C(=O)c2ccccc2C1(N)c1ccccc1,CM,1
N#CCC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21,CI,0
CN(C)CCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1.Cl,CI,0
CC(C)(CO)N1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1,CI,0
CCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1,CI,0
NCCN1C(=O)c2ccccc2C1c1ccc(Cl)cc1,CI,0
C=CC(C)=CC(C)C(=O)CC(O)CC1CC(=O)NC(=O)C1,CI,0
O=NN(CCCl)C(=O)NC1CCC(=O)NC1=O,CI,0
C=CCCCN1C(=O)CCCC1=O,CI,0
O=C1CC(CC(O)C(O)C(O)CO)CC(=O)N1,CI,0
O=C1CC(CC(O)C(O)CO)CC(=O)N1,CI,0
O=C1CC(C(O)CO)CC(=O)N1,CI,0
CCCC1CC(=O)NC(=O)C1C(=O)OC(C)(C)C,CI,0
NNc1cnnc(O)c1Cl,CI,0
Nc1cnnc(S)c1S,CI,0
Sc1cc(S)c(S)nn1,CM,1
O=C(O)c1cc(Cl)nnc1O,CI,0
CC(C)(C)C(C#N)(C#N)c1ccc(C(C#N)(C#N)C(C)(C)C)nn1,CI,0
CN(N)c1cnnc(O)c1Cl,CI,0
CC(=NNC(=S)N(C)C)c1cccnn1,CI,0
CC1(C)COC(c2ccccc2Cl)N1,CI,0
CC1(C)CN(CCC#N)C(c2ccc([N+](=O)[O-])cc2)O1,CI,0
COc1ccccc1C1OCC(C)(C)N1C,CI,0
CN1CCOC1(C)c1ccccc1,CI,0
CN1CCOC1c1ccccc1O,CI,0
CN1CCOC1(C)c1ccccc1O,CI,0
COc1ccc(C2OCCN2C)cc1,CI,0
CNc1nc(SC)n(C)c(=O)c1N=O,CI,0
COc1nc(OC)n(C)c(=O)c1OP(=O)(OC)OC,CI,0
COc1nc(N)c(N=O)c(=O)n1C,CI,0
CSc1nc(NC(=O)O)c(N(C(C)=O)C(=O)O)c(=O)n1C,CI,0
COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C,CI,0
CC(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[KH],CI,0
Cn1cnc(N)c(N=O)c1=O,CI,0
CCOc1ccc(C2OCCC(C)O2)cc1OC,CI,0
C=C(C)COc1ccc(C2OCC(CC)C(CCC)O2)cc1,CI,0
CCC1(N)COC(c2ccccc2)OC1,CI,0
Oc1cc(C2OCCCO2)cc(O)c1O,CI,0
C=CC1(c2ccc(OC)cc2)OCCCO1,CI,0
C=CC1(c2ccc(Br)cc2)OCCCO1,CI,0
CCCCCCCCCCCCOCC1(COCCCCCCCCCCCC)COC(c2ccc(N)cc2)OC1,CI,0
c1ccc(N2N=NC3C4CCC(C4)C32)cc1,CI,0
N#CC1C(C#N)C2CC1C1N=NN(c3ccccc3)C21,CI,0
N#CC1(Cl)CC2CC1C1N=NN(c3ccccc3)C21,CI,0
O=[N+]([O-])c1ccc(N2N=NC3C4CCC(C4)C32)cc1,CI,0
COC(=O)C12N=NN(c3ccccc3)C1(C(=O)OC)C1CCC2C1,CI,0
OCC1C(CO)C2CC1C1N=NN(c3ccccc3)C21,CI,0
CC(=O)OC1C2CCC1C1C2N=NN1c1ccc([N+](=O)[O-])cc1,CI,0
Cc1nc(O)nc(O)c1Cc1ccc(Cl)cc1,CI,0
COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,CI,0
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,CI,0
COc1ccc(Cc2cnc(N)nc2N)cc1OC,CI,0
Nc1nc(O)nc(O)c1Cc1cccc(Cl)c1,CI,0
COc1ccc(Cc2c(N)nc(O)nc2O)cc1,CI,0
Nc1ccc(Cc2c(N)nc(O)nc2O)cc1,CI,0
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(cc3C(NS(C)(=O)=O)C3COC(=O)C23)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(cc3C(NCC(O)CO)C3COC(=O)C23)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(cc3C(N)C3COC(=O)C23)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O,CI,0
CN1CCCC(C#N)(c2ccccc2)CC1,CI,0
c1ccc(C2CCCNCC2)cc1,CI,0
CN1CCCC(C(=O)O)(c2ccccc2)CC1,CI,0
CCN1CCCC(C#N)(c2ccccc2)CC1,CI,0
CC(=O)C1(c2ccccc2)CCCN(C)CC1,CI,0
CCOC(=O)C1(c2ccccc2)CCCNCC1,CI,0
Cl.O=C(O)C1(c2ccccc2)CCCNCC1,CI,0
O=C(N1CCCCC(Cl)(Cl)C1=O)C(Cl)(Cl)Cl,CI,0
CCCCCCCCCCCCCCCCN1CCCCCC1=O,CI,0
CC(=O)N1CCCCCC1=O,CI,0
CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C(O)C(O)C(O)C=CC(C)C)C(=O)NC1,CI,0
COC(=O)N1CCCCC(CCC#CC[Si](C)(C)C)C1=O,CM,1
CC#CCCC1CCCCNC1=O,CI,0
C=CCCCC1(C)CCCCNC1=O,CI,0
OCn1nnc2ccccc21,CI,0
CN(C)CCOCn1nnc2ccccc21,CI,0
O=[N+]([O-])c1ccc2[nH]nnc2c1,CI,0
CC(=O)Oc1ccc2c(c1)nnn2C(C)=O,CI,0
CC(=O)n1nnc2ccc([N+](=O)[O-])cc21,CI,0
Nn1nnc2ccccc21,CI,0
COC(=O)C(C)(Cc1ccc2c(c1)nnn2C(C)=O)NC(C)=O,CI,0
O=c1ccc2nc3ccc(O)cc3oc-2c1,CI,0
Nc1c(C(=O)O)c2nc3c(CO)cccc3oc-2cc1=O,CI,0
COC(=O)c1c2oc3c(C(=O)OC)cccc3nc-2cc(N)c1=O,CI,0
CCCCOC(=O)c1c2nc3c(C(=O)OCCCC)ccc(C)c3oc-2c(C)c(=O)c1NC(C)=O,CI,0
CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)ccc(C)c3oc-2c(C)c(=O)c1N,CI,0
CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)cc(O)c(C)c3oc-2c(C)c(=O)c1N,CI,0
CCCCCCCCCCCc1c2oc3ccc(C)cc3nc-2cc(O)c1=O,CI,0
O=C1CCc2ccccc2O1,CI,0
COc1cc(OC)c2c(c1)OC(=O)C(C(C)=O)C2,CI,0
CCCCCCCCCC1CC(=O)Oc2cccc(O)c21,CI,0
O=C(O)C1Cc2ccccc2OC1=O,CI,0
CC(C)(C)OC(=O)NNC(=O)C1Cc2ccccc2OC1=O,CI,0
O=C(O)CC(NC(=O)C(F)(F)F)C(=O)NC1Cc2ccccc2OC1=O,CI,0
Cl.NC1Cc2ccccc2OC1=O,CI,0
CC1=CC(C)=Nc2ccccc2N1,CI,0
COc1cc2c(cc1OC)NC(C)=CC(C)=N2,CI,0
CC1=CC(C)=Nc2cc(Cl)ccc2N1,CI,0
CC1=CC(C)=Nc2ccc(Cl)cc2N1.O=S(=O)(O)O,CI,0
CC1=CC(C)=Nc2ccccc2N1.O=S(=O)(O)O,CI,0
C1=CNc2ccccc2N=C1,CI,0
CC1=CC(C)=Nc2ccc(C)cc2N1.[O-][Cl+3]([O-])([O-])O,CI,0
CC(CN(C)C)Sc1nnc(SC(C)CN(C)C)s1,CI,0
O=C(CNc1nncs1)NO,CI,0
CC(=O)Nc1nnc(S(C)(=O)=O)s1,CI,0
NS(=O)(=O)c1nnc(N=C(CCC(=O)O)C(=O)O)s1,CI,0
NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1,CI,0
NS(=O)(=O)c1nnc(NC(=O)C=CC(=O)O)s1,CI,0
CC(C)(C)OC(=O)Nc1nnc(S(N)(=O)=O)s1,CM,1
O=[N+]([O-])c1ccc(S(=O)(=O)NN=C2CCCCC2)cc1,CI,0
CC1CCCCC1=NNS(=O)(=O)c1ccc(N)cc1,CI,0
CC1CCC(=NNS(=O)(=O)c2ccc(N)cc2)CC1,CI,0
COC(=O)C1(C)C(=NNS(=O)(=O)c2ccc(C)cc2)CCCC1C,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2C)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2C(C)CC(C(C)(C)C)CC2C)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2Br)cc1,CI,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,CI,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,CI,0
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,CI,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(N=NN(C)C)c1,CI,0
COC(=O)c1nc(N)nc(O)c1-c1ccc(Cl)cc1,CM,1
COC(=O)c1nc(S)nc(O)c1-c1ccc(Cl)cc1,CM,1
Cc1ccc(NC=O)c(-c2c(N)nc(S)nc2O)c1,CI,0
O=C1CSC(=S)N1,CI,0
CN1C(=O)CSC1=S,CI,0
NN1C(=O)CSC1=S,CI,0
O=C(O)CN1C(=O)CSC1=S,CI,0
C=CCN1C(=O)CSC1=S,CI,0
CN1C(=O)C(Br)SC1=S,CI,0
CCN1C(=O)CSC1=S,CI,0
Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1,CI,0
N#Cc1ccsc1Nc1ccccc1[N+](=O)[O-],CM,1
Cc1sc(Nc2ccccc2[N+](=O)[O-])c(C#N)c1C,CM,1
Cc1ccc(Nc2sc(C)cc2C#N)c([N+](=O)[O-])c1,CI,0
Cc1cc(C#N)c(Nc2ccc(F)cc2[N+](=O)[O-])s1,CI,0
Cc1cc(C#N)c(Nc2c(C)cccc2[N+](=O)[O-])s1,CI,0
O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,CI,0
O=C1CSC(c2ccc(Cl)cc2Cl)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,CI,0
O=C1CSC(c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,CI,0
CCOc1cc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)ccc1O,CI,0
COc1cc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc(OC)c1OC,CI,0
CN(C)c1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1,CI,0
Clc1ccc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1,CI,0
Clc1ccc(Oc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2Cl)cc1,CI,0
Oc1ccccc1C=Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,CI,0
CCOc1cc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)ccc1O,CI,0
COc1cc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc(OC)c1OC,CI,0
CN(C)c1ccc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1,CI,0
CC(C)CCn1[nH]c(=N)c2nc3ccccc3nc21,CI,0
CCN(CC)CCn1[nH]c(=N)c2nc3ccccc3nc21,CI,0
CCN(CC)CCn1[nH]c(=N)c2nc3cc(Cl)ccc3nc21,CI,0
N=c1[nH][nH]c2nc3ccc(C(F)(F)F)cc3nc12,CI,0
CN(C)CCn1[nH]c(=N)c2nc3cc(C(F)(F)F)ccc3nc21,CI,0
Cc1cc2nc3[nH][nH]c(=N)c3nc2cc1C,CI,0
O=C(C=Cc1ccccc1)Oc1ccc(C=C2CCCCC2=O)cc1,CI,0
O=C(C=Cc1ccc(Cl)cc1)Oc1ccc(C=C2CCCCC2=O)cc1,CI,0
COc1ccc(C=CC(=O)Oc2ccc(C=C3CCCCC3=O)cc2)cc1,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=C2CCCCC2=O)cc1,CI,0
CN(C)CC1CCCC(=Cc2ccc(OC(=O)C=Cc3ccc(Cl)cc3)cc2)C1=O.Cl,CI,0
CN(C)CC1CCCC(=Cc2ccc(OC(=O)C=Cc3ccc(Cl)c(Cl)c3)cc2)C1=O.Cl,CI,0
COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C(=O)C(F)(F)F)[nH]c2ccccc12,CI,0
COC(=O)Cc1c(C2Nc3ccccc3C2CC(=O)OC)[nH]c2ccccc12.Cl,CI,0
COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C(C)=O)[nH]c2ccccc12,CI,0
COC(=O)C(Cc1c(C2Nc3ccccc3C2CC(NC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(C)=O,CI,0
COC(=O)C(Cc1c(C2Nc3ccccc3C2CC(NC(=O)CNC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(=O)CNC(C)=O,CI,0
CC(=O)N1c2ccccc2C(C)C1c1[nH]c2ccccc2c1C,CI,0
N#Cc1c(N)nc(-c2ccc(Cl)cc2)c2c1-c1ccccc1S(=O)(=O)CC2,CI,0
Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccccc3)c1CCS2(=O)=O,CI,0
COc1cccc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)c1,CI,0
Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccc(Cl)cc3)c1CCS2(=O)=O,CI,0
COc1ccc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)cc1OC,CI,0
COc1cc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)cc(OC)c1OC,CI,0
O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccccc1O,CI,0
Cc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1,CI,0
COc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1,CI,0
O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(O)cc1,CI,0
O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(Cl)cc1,CI,0
COc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1OC,CI,0
Oc1c(C2=NNC(c3ccc(Cl)cc3Cl)C2)ccc2ccccc12,CI,0
CN(C)c1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1,CI,0
COc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2C(C)=O)cc1OC,CI,0
CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1ccc(Cl)cc1Cl,CI,0
CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1ccc(N(C)C)cc1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(N(c3ccccc3)c3ccccc3)CC2c2ccccc2)cc1,CI,0
Cc1ccc(NC(=O)CC(=O)N2N=C(N(c3ccccc3)c3ccccc3)CC2c2ccccc2)cc1,CI,0
O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1)Nc1ccc(Cl)cc1,CI,0
COc1ccccc1NC(=O)CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1,CI,0
O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1)Nc1cccc(Cl)c1,CI,0
O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1)Nc1ccccc1,CI,0
Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,CI,0
Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1,CI,0
Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c1,CI,0
Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(N)(=O)=O)cc2)cc1,CI,0
Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)cc1,CI,0
Nc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1,CI,0
COc1c(C2(c3ccc(F)cc3)SCCCS2)c(=O)c1=O,CI,0
COc1ccccc1C1(c2c(OC(C)C)c(=O)c2=O)SCCCS1,CI,0
CC(C)Oc1c(C2(c3ccccc3O)SCCCS2)c(=O)c1=O,CI,0
CC(C)Oc1c(C2(c3ccccc3)SCCCS2)c(=O)c1=O,CI,0
COc1cc(OC)c(C2(c3c(OC(C)C)c(=O)c3=O)SCCCS2)cc1OC,CI,0
COc1ccccc1C1(c2c(OC)c(=O)c2=O)SCCCS1,CI,0
N#CC(=Cc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
N#CC(=Cc1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
N#CC(=Cc1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
COc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CM,1
CN(C)c1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CI,0
N#CC(=Cc1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1,CI,0
O=C1NC(N2CCOCC2)=NC1=Cc1ccccc1,CI,0
O=C1NC(N2CCOCC2)=NC1=Cc1ccc(Cl)cc1,CI,0
COc1ccc(C=C2N=C(N3CCOCC3)NC2=O)cc1,CI,0
O=C1NC(N2CCOCC2)=NC1=Cc1ccc(O)cc1,CI,0
Cc1ccc(C=C2N=C(N3CCOCC3)NC2=O)cc1,CI,0
O=C1NC(N2CCOCC2)=NC1=Cc1ccccc1O,CI,0
O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=Cc3ccccc3)cc2)N1,CI,0
CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=Cc3ccccc3)cc2)C1=O,CI,0
COc1ccc(C=NNS(=O)(=O)c2ccc(C=C3NC(=O)NC3=O)cc2)cc1,CI,0
COc1ccc(C=NNS(=O)(=O)c2ccc(C=C3NC(=O)N(C)C3=O)cc2)cc1,CI,0
Cc1ccc(C=NNS(=O)(=O)c2ccc(C=C3NC(=O)NC3=O)cc2)cc1,CI,0
O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=Cc3ccc(Cl)cc3)cc2)N1,CI,0
Fc1cccc(F)c1C1SCc2nc3cc4ccccc4cc3n21,CI,0
Clc1cccc(Cl)c1C1SCc2nc3cc4ccccc4cc3n21,CI,0
Fc1ccccc1C1SCc2nc3cc4ccccc4cc3n21,CI,0
Fc1cccc(Cl)c1C1SCc2nc3cc4ccccc4cc3n21,CI,0
Fc1cccc(C2SCc3nc4cc5ccccc5cc4n32)c1,CI,0
c1ccc(C2SCc3nc4cc5ccccc5cc4n32)cc1,CI,0
O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccccc1)c1ccccc1,CI,0
O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1,CI,0
Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1,CI,0
O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
CCOc1ccc(C(=O)C=C2Nc3ccccc3NC2=CC(=O)c2ccc(OCC)cc2)cc1,CI,0
O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC,CI,0
O=C(NC(CO)CO)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(NO)cc43)[nH]c2c(OC)c1OC,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC.Cl,CI,0
COc1ccc2[nH]c(C(=O)N3CC(CCl)c4ccc(N)cc43)cc2c1,CI,0
C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=N,CI,0
C=CCn1c(-c2ccccc2)csc1=NC(P(=O)(O)O)P(=O)(O)O,CI,0
C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=NC(P(=O)(O)O)P(=O)(O)O,CI,0
C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=NC(P(=O)(O)O)P(=O)(O)O,CI,0
CCn1c(-c2ccccc2)csc1=NC(P(=O)(O)O)P(=O)(O)O,CI,0
CCn1c(-c2ccc(C)cc2)csc1=NC(P(=O)(O)O)P(=O)(O)O,CI,0
COc1ccc2cc(C(=O)NCCCNC(=O)c3ccc4cc(OC)ccc4c3)ccc2c1,CI,0
O=C(NCCCNC(=O)c1ccc2cc(O)ccc2c1)c1ccc2cc(O)ccc2c1,CI,0
COc1cc2ccc(C(=O)NCCCNC(=O)c3ccc4cc(OC)c(OC)cc4c3)cc2cc1OC,CM,1
O=C(NCCCNC(=O)c1ccc2cc(O)c(O)cc2c1)c1ccc2cc(O)c(O)cc2c1,CI,0
O=C(NCCCNC(=O)c1ccc2c(O)c(O)ccc2c1)c1ccc2c(O)c(O)ccc2c1,CI,0
COc1ccc2cc(C(=O)NCCCNC(=O)c3ccc4c(OC)c(OC)ccc4c3)ccc2c1OC,CI,0
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OC)cc1,CI,0
C=CCOc1ccc(C2C(C(=O)OCC)C(=O)CC(C)(O)C2C(=O)OCC)cc1OC,CI,0
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(N(C)C)cc1,CI,0
COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccc(N(C)C)cc1,CI,0
CCOC(=O)C1C(=O)CC(O)(OCC)C(C(=O)OCC)C1c1ccc(OC)cc1,CI,0
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(O)c(OC)c1,CI,0
O=C(O)CCCn1nnc2c(O)nnc(O)c21,CI,0
O=C(O)Cn1nnc2c(O)nnc(O)c21,CI,0
Nc1nncc2[nH]nnc12,CI,0
CN(C)c1nncc2[nH]nnc12,CI,0
CN(C)C=Nc1nncc2[nH]nnc12,CI,0
NNc1nncc2[nH]nnc12,CI,0
Cc1ccc(N=Nc2cc(O)nc(O)n2)cc1C,CI,0
Oc1cc(N=Nc2ccc(Br)cc2)nc(S)n1,CI,0
Oc1ccc(N=Nc2cc(O)nc(O)n2)cc1,CI,0
Nc1nc(Cl)cc(N=Nc2ccccc2)n1,CI,0
Oc1cc(N=Nc2ccc(Cl)cc2)nc(O)n1,CI,0
Oc1cc(N=Nc2ccc(Cl)c(Cl)c2)nc(O)n1,CI,0
COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,CI,0
CC(=O)OCC1OC(n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c3c(c(-c4ccc(C)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C1,CI,0
COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,CI,0
Cc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,CI,0
CSc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)NC(C)C)s1,CI,0
CCCNC(=O)c1sc(SC)nc1NC(=O)c1ccc(OC)cc1,CI,0
CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc(Cl)cc1,CI,0
CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc(OC)cc1,CI,0
CCOC(=O)c1sc(SC)nc1NC(=O)c1ccccc1,CI,0
CCCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CI,0
C=CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CM,1
CC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CA,1
CC(C)=CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CI,0
CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O,CA,1
CCC1(c2cccc(C)c2)Oc2ccccc2-n2cccc2C1=O,CA,1
Cc1n[nH]c(=O)n1N=Cc1ccccc1,CI,0
Cc1n[nH]c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC(C)CCc1n[nH]c(=O)n1N=Cc1ccccc1,CI,0
CCc1n[nH]c(=O)n1N=Cc1ccccc1Cl,CI,0
CCc1n[nH]c(=O)n1N=Cc1ccc(C)cc1,CI,0
CCc1n[nH]c(=O)n1N=Cc1ccccc1O,CI,0
Cc1nc(-c2ccccc2)cn2c1nc1ccccc12,CI,0
Cc1ccc(-c2cn3c(nc4ccccc43)c(C)n2)cc1,CI,0
Cc1nc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12,CM,1
COc1ccc(-c2cn3c(nc4ccccc43)c(C)n2)cc1,CI,0
Cc1nc(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1ccccc12,CM,1
Cc1nc(-c2ccccc2)c(C)n2c1nc1ccccc12,CI,0
CCOC(=O)c1ccc(-c2cccs2)n1C,CI,0
CCOC(=O)c1ccc(-c2cccs2)[nH]1,CI,0
COC(=O)c1cc(C#N)[nH]c1-c1cccs1,CI,0
COC(=O)c1cc(C#N)[nH]c1-c1ccc(C)s1,CI,0
COC(=O)c1cc(C#N)[nH]c1-c1cc(Br)cs1,CI,0
COC(=O)c1cc(C#N)[nH]c1-c1ccc(Br)s1,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(I)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(OCCC#N)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CM,1
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CM,1
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CM,1
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(I)c(=O)[nH]c2=O)CC1O,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(OCCC#N)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
COC(=O)C(Cc1ccccc1)NP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CM,1
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-].N,CA,1
O=C1CC(c2ccccc2)C2(C(=O)c3ccccc3C2=O)C(c2ccccc2)C1,CM,1
CC(=O)Oc1ccccc1C1CC(=O)CC(c2ccccc2OC(C)=O)C12C(=O)c1ccccc1C2=O,CI,0
COc1cc(C2CC(=O)CC(c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC,CI,0
Cc1ccc(C2CC(=O)CC(c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1,CI,0
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)c2ccccc2C3=O)cc1,CI,0
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3OC)C23C(=O)c2ccccc2C3=O)c(OC)c1,CI,0
Cl.N=C1Nc2ccccc2Sc2nc3ccccc3n21,CI,0
COc1ccc2c(c1)NC(=N)n1c(nc3ccccc31)S2.Cl,CI,0
N=C1Nc2cc(C(F)(F)F)ccc2Sc2nc3ccccc3n21,CI,0
N=C1Nc2cc(Cl)ccc2Sc2nc3ccccc3n21,CI,0
COc1ccc2c(c1)nc1n2C(=N)Nc2ccccc2S1,CI,0
Cc1ccc2c(c1)nc1n2C(=N)Nc2ccccc2S1.Cl,CI,0
Cc1ccc(SCC(OCn2cnc3c(Cl)nc(N)nc32)C(C)F)cc1,CI,0
Cc1ccc(SCC(CF)OC(C)n2cnc3c(Cl)nc(N)nc32)cc1,CI,0
Cc1ccc(SCC(OCn2cnc3c(N)ncnc32)C(C)F)cc1,CI,0
Cc1ccc(SCC(CF)OCn2cnc3c(N)ncnc32)cc1,CI,0
Cc1ccc(SCC(CF)OC(C)n2cnc3c(O)nc(N)nc32)cc1,CI,0
Cc1ccc(SCC(CF)OCn2cnc3c(O)nc(N)nc32)cc1,CI,0
Cc1ccc2c(c1)CC1(C2)Cc2ccc(C)cc2C1=O,CI,0
Cc1cccc2c1CC1(C2)Cc2c(C)cccc2C1=O,CI,0
COC(=O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O,CI,0
O=C(O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O,CI,0
O=C1c2ccccc2CC12Cc1ccccc1C2,CI,0
CC(=O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O,CI,0
O=C1c2cc3c(cc2CC12Cc1ccccc1C2)CCC3,CI,0
CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(O)C(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
O=C(O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(=O)C=Cc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(=O)c1ccccc1CC1Cc2cc3c(cc2C1)CCC3,CI,0
CCOC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3,CI,0
O=C(O)c1ccccc1CC1Cc2cc3c(cc2C1)CCC3,CI,0
COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3,CI,0
O=C(O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3,CI,0
COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1O)CCC3,CI,0
Cc1ccc(S(=O)(=O)n2ccnc2)cc1,CI,0
CCOC(=O)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)P(=O)(OCC)OCC,CI,0
CC(=O)OCc1cn(S(=O)(=O)c2ccc(C)cc2)cn1,CI,0
CCOP(=O)(OCC)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)O,CI,0
Cc1ccc(S(=O)(=O)n2cncc2CO)cc1,CI,0
CC(=O)OCc1cncn1S(=O)(=O)c1ccc(C)cc1,CI,0
I.O=C(O)c1ccccc1C=NNC1=NCCN1,CI,0
CN(N=Cc1ccc(Cl)c(Cl)c1)C1=NCCN1.I,CI,0
CN(N=C(C(=O)O)c1ccccc1)C1=NCCN1.I,CI,0
COc1cc(C=NNC2=NCCN2)ccc1O.I,CI,0
I.O=C(O)c1ccccc1C=NN(CCO)C1=NCCN1,CI,0
I.O=C(O)c1ccc(C=NN(CCO)C2=NCCN2)cc1,CI,0
COc1cccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)c1OC,CI,0
COc1ccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc1,CI,0
CC1C(NNc2ccccc2)Oc2cc3c(cc2C1c1ccccc1O)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc(OC)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc(OC)c1O,CI,0
COc1cccc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)c1OC,CI,0
Cc1ccc(S(=O)(=O)NNC2Oc3cc4c(cc3C(c3ccccc3O)C2C)OCO4)cc1,CI,0
COc1ccc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc1,CI,0
COc1cc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc(OC)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc(OC)c1O,CI,0
O=c1c2ccccc2nc(NN=Cc2ccccc2O)n1-c1ccccc1,CI,0
O=c1c2ccccc2nc(NN=Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1,CI,0
COc1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)cc1,CI,0
O=c1c2ccccc2nc(NN=Cc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
CN(C)c1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)cc1,CI,0
COc1cc(OC)c(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1,CI,0
CC(=O)OCC1OC(n2c(C)cc(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O,CI,0
Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O,CI,0
CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C,CI,0
CC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,CI,0
CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(Cl)=CC(=C(Nc1ccccc1)Nc1ccccc1)[N+](=O)[O-],CI,0
O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)C(Cl)=C(Cl)Br,CI,0
Cc1ccc(NC(Nc2ccc(C)cc2C)=C(C=C(Cl)[N+](=O)[O-])[N+](=O)[O-])c(C)c1,CI,0
Cc1ccc(NC(Nc2ccc(C)cc2C)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1,CI,0
O=C(C(Cl)=C(Nc1ccccc1)Nc1ccccc1)C(Cl)Cl,CI,0
c1ccc(-n2nc3ccc4nonc4c3n2)cc1,CI,0
COc1cc2nn(-c3ccccc3)nc2c2nonc12,CI,0
Oc1ccccc1-n1nc2ccc3nonc3c2n1,CI,0
O=[N+]([O-])c1ccc(-n2nc3ccc4nonc4c3n2)cc1,CI,0
Brc1cc2nn(-c3ccccc3)nc2c2nonc12,CI,0
O=[N+]([O-])c1c(O)c2nonc2c2nn(-c3ccccc3)nc12,CI,0
COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3S2)cc1,CI,0
CCCC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21,CI,0
CCC(=O)OC1=C(c2ccccc2)Sc2ccc(Cl)cc2-n2cccc21,CI,0
COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccc(Cl)cc3S2)cc1,CI,0
COc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc(Cl)ccc3S2)cc1,CI,0
COc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc(C(F)(F)F)ccc3S2)cc1,CI,0
Cc1cc(C)n(-c2nc(C)c(CCO)c(O)n2)n1,CI,0
Cc1cc(O)nc(-n2nc(C)c(CCO)c2O)n1,CI,0
CCOC(=O)Cc1cc(O)nc(-n2nc(C)c(CCO)c2O)n1,CI,0
CCOC(=O)c1cnc(-n2nc(C)c(CCO)c2O)nc1O,CI,0
Cc1nn(-c2ncc(C#N)c(O)n2)c(O)c1CCO,CI,0
Cc1nn(-c2ncc(C(=O)O)c(O)n2)c(O)c1CCO,CI,0
N#CC(=CNC(=S)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2ccccc2c1,CI,0
N#CC(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2ccccc2c1,CI,0
CCc1cccc(CC)c1NC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1,CI,0
CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1,CI,0
N#CC(=CNC(=S)Nc1ccccc1Cl)C(=O)c1ccc2ccccc2c1,CI,0
COc1ccccc1NC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccc(C)cc2C)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2cc(Cl)ccc2Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccccc2)cc1,CI,0
CCc1cccc(CC)c1NC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1,CI,0
COc1ccccc1NC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,CI,0
Cc1cccc(C)c1NC(=S)NC=C1C(=O)NC(=O)NC1=O,CI,0
COc1ccccc1NC(=S)NC=C1C(=O)NC(=O)NC1=O,CI,0
Cc1ccc(NC(=S)NC=C2C(=O)NC(=O)NC2=O)c(C)c1,CI,0
O=C1NC(=O)C(=CNC(=S)Nc2ccccc2)C(=O)N1,CI,0
NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)NC(=O)NC2=O)cc1,CI,0
O=C1NC(=O)C(=CNC(=S)Nc2cc(Cl)ccc2Cl)C(=O)N1,CI,0
CCOc1ccc(C=C2NC(=S)N(CN3CCCCC3)C2=O)cc1,CI,0
O=C1C(=Cc2ccccc2)NC(=S)N1CN1CCCCC1,CI,0
COc1ccc(C=C2NC(=S)N(CN3CCCCC3)C2=O)cc1,CI,0
Cc1ccc(C=C2NC(=S)N(CN3CCCCC3)C2=O)cc1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1CN1CCCCC1,CI,0
O=C1C(=Cc2ccc(O)cc2)NC(=S)N1CN1CCCCC1,CI,0
CCCCN(CCCC)CN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)NC1=S,CI,0
COc1ccccc1C=C1NC(=S)NC1=O,CI,0
Cc1ccc(C=C2NC(=S)NC2=O)cc1,CI,0
O=C1NC(=S)NC1=Cc1ccc(Cl)cc1,CI,0
O=C1NC(=S)NC1=Cc1ccccc1,CI,0
COc1ccc(C=C2NC(=S)NC2=O)cc1,CI,0
CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC,CI,0
N#CC(C#N)=CN1CCNC1=S,CI,0
N#CC(=CN1CCNC1=S)C(N)=O,CI,0
COC(=O)C(C#N)=CN1CCNC1=S,CI,0
CCOC(=O)C(=O)C(=CN1CCNC1=S)C(=O)OCC,CI,0
CNC(=S)N1CCN(C(C)=O)C1=S,CI,0
CC(C)=CC(=O)N1CC(C)Cn2c(=S)[nH]c3cccc1c32,CI,0
CC1CNc2cccc3[nH]c(=S)n(c23)C1,CI,0
CC(C)=CCN1CC(C)Cn2c(=S)[nH]c3cccc1c32,CA,1
CCN1CC(C)Cn2c(=S)[nH]c3cc(Br)cc1c32,CA,1
CCN1c2cc(Br)cc3[nH]c(=S)n(c23)CCC1C,CA,1
CC1CCn2c(=S)[nH]c3cccc(c32)N1,CM,1
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccccc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccccc1O.[NaH],CM,1
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)ccc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)ccc1O.[NaH],CM,1
C[N+](C)(C)C.O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(O)=[OH+])ccc3O)cc2S(=O)(O)=[OH+])c(S(=O)(O)=[OH+])c1)c1cc(S(=O)(O)=[OH+])ccc1O,CM,1
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc(O)cc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc(O)cc1O.[NaH],CI,0
O=C(O)c1c(O)ccc(O)c1C(=O)Nc1ccc(C=Cc2ccc(NC(=O)c3c(O)ccc(O)c3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1
Nc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(N)cc4S(=O)(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1.[NaH],CM,1
CC1=CC(=O)C(=CNC(=S)Nc2ccccc2)C(=O)O1,CI,0
CC1=CC(=O)C(=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1,CI,0
CC1=CC(=O)C(=CNC(=S)Nc2cc(Cl)ccc2Cl)C(=O)O1,CI,0
CC1=CC(=O)C(=CNC(=S)Nc2cccc(C)c2C)C(=O)O1,CI,0
COc1ccccc1NC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0
CCOc1ccc(NC(=S)NC=C2C(=O)C=C(C)OC2=O)cc1,CI,0
CCOc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1,CI,0
COc1ccccc1C=C1NC(=S)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O,CI,0
COc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1OC,CI,0
CC(=O)Nc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccccc2)NC1=S,CI,0
COc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1,CI,0
CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)O,CI,0
CC(Oc1ccc(OCC2CCCCC2)cc1)C(N)=O,CI,0
CNC(=O)C(C)Oc1ccc(OCC2CCCCC2)cc1,CI,0
CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)NCCO,CI,0
CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)N(CCO)CCO,CI,0
CC(O)CNC(=O)C(C)Oc1ccc(OCC2CCCCC2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccccc2)cc1,CI,0
COc1ccc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccc(O)cc2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccc([N+](=O)[O-])cc2)cc1,CI,0
COc1ccc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1,CI,0
COc1cc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC,CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)OCc1ccccc1)C(C)C,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1,CI,0
CC(=O)NC(CCCOC(C)=O)C(=O)NC(CCCOC(C)=O)C(=O)NC(CCCOC(C)=O)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1,CI,0
CC(=O)CCCCC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1,CI,0
COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1,CI,0
CC(=O)OCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCCOC(C)=O)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1,CI,0
CS(=O)(=O)O.Cc1c2[nH]c3ccc(Br)cc3c2c(C)c2nccc(O)c12,CI,0
CS(=O)(=O)O.Cc1nc2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(O)c1C,CI,0
CCCc1cc(O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2n1.CS(=O)(=O)O,CI,0
CCOC(=O)CCCc1cc(O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2n1.CS(=O)(=O)O,CI,0
CCOC(=O)CCc1c(C)nc2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c1O,CI,0
CCC(=O)c1ccc2[nH]c3c(C)c4c(O)cc(C)nc4c(C)c3c2c1,CI,0
Cc1ccccc1N1C(=O)C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C1=O,CI,0
Cc1ccc(N2C(=O)C3C=CC(n4[nH]c(=O)n(Cc5ccccc5)c4=O)CC3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3C=CC(n4[nH]c(=O)n(Cc5ccccc5)c4=O)CC3C2=O)cc1,CI,0
O=C1C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C(=O)N1c1cccc(Cl)c1,CI,0
CC1=CC2C(=O)N(c3ccccc3)C(=O)C2CC1n1[nH]c(=O)n(Cc2ccccc2)c1=O,CI,0
O=C1C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C(=O)N1c1ccc(Br)cc1,CI,0
Cn1c2c(O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3,CI,0
COc1c(C)c2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2,CI,0
Cc1cccc2c1c(=O)c1c(O)cc3c(c1n2C)C=CC(C)(C)O3,CM,1
Cc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4,CI,0
CCC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1,CI,0
CCC1(C)C=Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3O)C1=O,CI,0
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)CCl)C1=O,CI,0
COCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O,CI,0
CC1=C(N(C)C)C(=O)c2nc3n(c2C1=O)CCC3OC(N)=O,CI,0
COC1=C(NC(C)=O)C(=O)c2nc3n(c2C1=O)CCC3,CI,0
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc(O)cc1,CI,0
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc(Cl)cc1,CI,0
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC,CI,0
CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN=Cc1ccc(Cl)cc1,CI,0
Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N,CI,0
Cc1c(CCCl)c(N=[N+]=[N-])n2c(nc3ccccc32)c1C#N,CI,0
N#Cc1c(Cl)cc(C#N)n2c1nc1ccccc12,CI,0
Cc1cc2nc3c(C#N)c(C)c(CCCl)c(Cl)n3c2cc1C,CI,0
Cc1cc(C)n2c(nc3ccccc32)c1C#N,CI,0
O=[N+]([O-])c1ccc2nc3ccc([N+](=O)[O-])cn3c2c1,CI,0
C=CCCCN1CCCCC1=S,CI,0
C=CCCCN1CCCC(C)C1=S,CI,0
C=CCCCC1CCCNC1=S,CI,0
C=CCCC1(C)CCCNC1=S,CI,0
C=CCCC1CCCNC1=S,CI,0
CC#CCCCC1(C)CCCNC1=S,CI,0
CC1NC(=O)c2cc(O)nc(O)c21,CI,0
CC1c2c(cc(O)nc2O)C(=O)N1C,CI,0
CCC1c2c(cc(O)nc2O)C(=O)N1C,CI,0
CCN1C(=O)c2cc(O)nc(O)c2C1C,CI,0
CCCCN1C(=O)c2cc(O)nc(O)c2C1C,CI,0
CCCN1C(=O)c2cc(O)nc(O)c2C1C,CI,0
CCC12CCCN(Cc3ccccc3)C1c1c([nH]c3ccccc13)C(C(=O)OC)C2.Cl,CI,0
CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)CC2.Cl,CI,0
CCC12CCCN(Cc3ccccc3)C1c1c([nH]c3ccccc13)C(CO)C2,CI,0
CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(C(=O)O)C2.Cl,CI,0
CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(C(=O)OC)C2,CI,0
CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(CO)C2,CI,0
CCOC(OC1=C(C#N)CCC1)C(C)[Se]c1ccccc1,CM,1
CCOC(=O)C1=C(OC(OCC)C(C)[Se]c2ccccc2)CCC1,CM,1
CCOC(=O)C1=C(OC(OCC)C(CC)[Se]c2ccccc2)CCC1,CI,0
CCOC(=O)C1=C(OC(OCC)C([Se]c2ccccc2)C(C)C)CCC1,CI,0
CCOC(OC1=C(C#N)CCC1)C(CC)[Se]c1ccccc1,CI,0
CCOC(OC1=CCCC1)C(C)[Se]c1ccccc1,CI,0
O=C1NC(Cc2ccccc2)C(=O)N2CCCC12,CI,0
O=C1NC(Cc2ccc(O)cc2)C(=O)N2CCCC12,CI,0
COc1ccc(CC2NC(=O)C3CCCN3C2=O)cc1,CI,0
O=C1NC(Cc2ccc(Cl)cc2)C(=O)N2CCCC12,CI,0
O=C1NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCCC12,CI,0
O=C1NC(Cc2ccc(O)c(O)c2)C(=O)N2CCCC12,CI,0
NC(=O)c1cccc(C2OC(CO)C(O)C2O)c1,CI,0
NC(=O)c1cccc(C2OC(COP(=O)(O)O)C(O)C2O)c1.[NaH],CI,0
COc1cc(CO)c(C2OC(CO)C(O)C2O)c(OC)c1,CI,0
Cc1cc(C2CC(O)C(CO)O2)c(F)cc1F,CI,0
Cc1cc(C)c(C2CC(O)C(CO)O2)cc1C,CI,0
OCC1OC(c2ccccc2)CC1O,CI,0
COc1ccc2[nH]c3c(c2c1)C(c1ccccc1)CC1C(=O)N(c2ccccc2)C(=O)C31,CI,0
CCn1c2c(c3ccccc31)C(c1ccc(Cl)cc1)CC1C(=O)N(c3ccccc3)C(=O)C21,CI,0
COc1ccc(C2CC3C(=O)N(c4ccc(OC)cc4)C(=O)C3c3[nH]c4ccccc4c32)cc1,CI,0
COc1ccc(N2C(=O)C3CC(c4ccc(C)cc4)c4c([nH]c5ccccc45)C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3CC(c4ccc(Br)cc4)c4c([nH]c5ccccc45)C3C2=O)cc1,CI,0
CCn1c2c(c3ccccc31)C(c1ccccc1)CC1C(=O)N(c3ccccc3)C(=O)C21,CI,0
COc1ccc(-c2onc(-c3ccc([N+](=O)[O-])cc3)c2C2=NCCN2)cc1,CI,0
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)c2C2=NCCN2)cc1,CI,0
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)cc1,CI,0
COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=NCCN2)cc1,CI,0
Cc1cc(C)c(-c2noc(-c3ccccc3)c2C2=NCCN2)c(C)c1,CI,0
Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)c(C)c1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1ccc(O)cc1,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
Cc1ccccc1NC(=O)C(=O)CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C,CI,0
COc1ccc(OC)c(NC(=O)C(=O)CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)c1,CI,0
CC(=O)c1ccc(NC(=O)C(=O)CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1,CI,0
Cc1cc(Br)cc(C)c1NC(=O)C(=O)CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C,CI,0
COCN1COCN=C1NC#N,CI,0
CCCOCN1COCN=C1NC#N,CI,0
CCOCN1COCN=C1NC#N,CI,0
CC(C)OCN1COCN=C1NC#N,CI,0
N#CNC1=NCOCN1,CI,0
CN1COCN=C1NC#N,CI,0
CCOC(=O)C1Nc2ccc(C)cc2C2c3ccccc3CC12,CI,0
CCOC(=O)C1Nc2ccc(O)cc2C2c3ccccc3CC12,CI,0
CCOC(=O)C1Nc2ccccc2C2c3ccccc3CC12,CI,0
CCOC(=O)C1Nc2ccc(OC)cc2C2c3ccccc3CC12,CI,0
CCOC(=O)C1Nc2ccc([N+](=O)[O-])cc2C2c3ccccc3CC12,CI,0
CCOC(=O)C1Nc2c(cccc2[N+](=O)[O-])C2c3ccccc3CC12,CI,0
O=C(CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccccc2Cl)C1=O)Nc1ccccc1Cl,CI,0
COc1ccccc1NC(=O)CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccc(Cl)cc2)C1=O,CI,0
O=C(CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl,CI,0
O=C(CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F,CI,0
CC(=O)N(C(=O)CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(c3ccccc3)C(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)C2=O)cc1,CI,0
Brc1ccccc1C1SCc2nc3ncccc3n21,CI,0
Clc1ccccc1C1SCc2nc3ncccc3n21,CI,0
Fc1ccccc1C1SCc2nc3ncccc3n21,CI,0
Fc1cccc(C2SCc3nc4ncccc4n32)c1,CI,0
Fc1cccc(F)c1C1SCc2nc3ncccc3n21,CI,0
Clc1cccc(Cl)c1C1SCc2nc3ncccc3n21,CM,1
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Cl)cc3)SS2)=C2C=C(c3ccc(Cl)cc3)SS2)c(Cl)c1Cl,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Br)cc3)SS2)=C2C=C(c3ccc(Br)cc3)SS2)c(Cl)c1Cl,CI,0
Cc1cccc(C2=CC(=C(SSC(C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)=C3C=C(c4cccc(C)c4)SS3)C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)SS2)c1,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(F)cc3)SS2)=C2C=C(c3ccc(F)cc3)SS2)c(Cl)c1Cl,CI,0
O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccccc3Cl)SS2)=C2C=C(c3ccccc3Cl)SS2)c(Cl)c1Cl,CI,0
Cc1ccccc1C1=CC(=C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccccc3C)SS2)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)SS1,CI,0
COc1ccccc1NC(=O)C(=O)CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21,CI,0
COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21,CI,0
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2C1=O,CI,0
Cc1ccccc1NC(=O)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
O=C(Nc1ccc(F)cc1)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
CC(=O)c1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])c1,CI,0
Cc1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])c1C,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
O=C1C2=C(c3ccccc31)C(c1ccccc1)NC(=S)N2,CI,0
O=C1C2=C(c3ccccc31)C(c1cccc(Cl)c1)NC(=S)N2,CI,0
CC(C)c1ccc(C2NC(=S)NC3=C2c2ccccc2C3=O)cc1,CI,0
O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)NC(=S)N2,CI,0
O=C1C2=C(c3ccccc31)C(c1ccc(Cl)cc1)NC(=S)N2,CI,0
O=C1C2=C(c3ccccc31)C(c1ccc([N+](=O)[O-])cc1)NC(=S)N2,CI,0
O=c1ccn(C2CC(O)C(CO)C2)c(=O)[nH]1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1I,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1C=CBr,CI,0
[N-]=[N+]=NC1CC(n2cc(C=CBr)c(=O)[nH]c2=O)CC1CO,CI,0
Cc1cn(C2CC(O)C(CO)C2C)c(=O)[nH]c1=O,CI,0
O=c1ccn(C2CC(CO)C(CO)C2)c(=O)[nH]1,CI,0
CCC1=CCN(c2ccccn2)OC1c1ccc(OC)cc1,CI,0
CC1=CCN(c2ccccn2)OC1c1ccccc1,CI,0
CCC1=CCN(c2cc(C)ccn2)OC1c1ccccc1,CI,0
COc1ccc(C2ON(c3ccccn3)CC=C2C)cc1,CI,0
COc1ccc(C2ON(c3cccc(C)n3)CC=C2C)cc1,CI,0
CCC1=CCN(c2cc(C)ccn2)OC1c1ccc(OC)cc1,CI,0
Cc1nc(-c2cccnc2)sc1C(=O)C=Cc1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C=CC(=O)c2sc(-c3cccnc3)nc2C)cc1,CI,0
CC(=O)Nc1ccc(C=CC(=O)c2sc(-c3cccnc3)nc2C)cc1,CI,0
COc1ccccc1C=CC(=O)c1sc(-c2cccnc2)nc1C,CI,0
Cc1ccc(C=CC(=O)c2sc(-c3cccnc3)nc2C)cc1,CI,0
Cc1nc(-c2cccnc2)sc1C(=O)C=Cc1ccc(Cl)cc1Cl,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1ccnc1[N+](=O)[O-],CI,0
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1,CI,0
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1[N+](=O)[O-],CI,0
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cnc([N+](=O)[O-])c1,CI,0
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cncc1[N+](=O)[O-],CI,0
Cc1ncc([N+](=O)[O-])n1CCN(C)C(=O)CCCn1ccnc1[N+](=O)[O-],CI,0
CN(C)C(=O)OC(Cn1cncn1)c1ccc(Cl)cc1Cl,CI,0
CN(C)C(=S)OC(Cn1cncn1)c1ccc(Cl)cc1Cl,CI,0
Cl.Clc1ccc(CCn2cncn2)c(Cl)c1,CI,0
Cl.c1ccc(CCn2cncn2)cc1,CI,0
COc1ccc(CCn2cncn2)cc1.Cl,CI,0
Cl.Clc1ccc(CCn2cncn2)cc1,CI,0
FC(F)(F)c1ccc2nc(NCc3ccccc3)c(-c3ccccc3)nc2c1,CI,0
COc1ccc(CNc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0
COc1ccc(CNc2nc3c(NC(C)=O)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0
COc1cc(CNc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(CNc2nc3c(NC(C)=O)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(CNc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,CI,0
O=C1Nc2ccccc2NC1=CC(=O)c1ccccc1O,CI,0
COc1c(F)c(F)c(C(=O)C=C2Nc3ccccc3NC2=O)c(F)c1F,CI,0
O=C1Nc2cc([N+](=O)[O-])ccc2NC1=CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(C(=O)C=C2Nc3ccccc3NC2=O)c(C)c1,CI,0
O=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccccc1,CI,0
O=C1Nc2cc([N+](=O)[O-])ccc2NC1=CC(=O)c1ccc(Cl)cc1,CI,0
CCOC1OC(=O)C2C(c3ccccc3)=NOC12,CI,0
CCOC1OC(=O)C2C(c3ccc(Cl)cc3)=NOC12,CI,0
CCOC1OC(=O)C2C(c3ccc(F)cc3)=NOC12,CI,0
CCOC1OC(=O)C2C(c3ccccc3Cl)=NOC12,CI,0
CCOC1OC(=O)C2C(c3ccc(Cl)cc3Cl)=NOC12,CI,0
CCOC1OC(=O)C2C(c3ccc([N+](=O)[O-])cc3)=NOC12,CI,0
O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12,CI,0
O=c1c(=Cc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12,CI,0
CN(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1,CI,0
O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nc3ccccc3n12,CI,0
O=c1c(=Cc2ccccc2F)sc2nc3ccccc3n12,CI,0
O=c1c(=Cc2ccccc2O)sc2nc3ccccc3n12,CI,0
COc1ccc(Br)c(CCC(CO)C2=CCC3(CC2)OCCO3)c1,CI,0
COC(=O)C(CCc1cc(OC)ccc1I)C1=CCC2(CC1)OCCO2,CI,0
COc1ccc(I)c(CCC(CO)C2=CCC3(CC2)OCCO3)c1,CI,0
COc1ccc(I)c(CCC(C(=O)O)C2=CCC3(CC2)OCCO3)c1.[LiH],CI,0
OCC(CCc1ccccc1I)C1=CCC2(CC1)OCCO2,CI,0
COC(=O)C(CCc1ccccc1I)C1=CCC2(CC1)OCCO2,CI,0
c1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1,CI,0
Cc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1,CI,0
Cc1cccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)c1,CI,0
Clc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1,CI,0
Clc1cccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)c1,CI,0
Brc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1,CI,0
Cc1cc2nc3c(C(OC4OC(CO)C(O)C(O)C4O)C(O)CO)nn(-c4ccc(F)cc4)c3nc2cc1C,CI,0
Cc1ccc(-n2nc(C(OC3OC(CO)C(O)C(O)C3O)C(O)CO)c3nc4cc(C)c(C)cc4nc32)cc1,CI,0
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12,CI,0
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)ccc3nc12,CI,0
Cc1cc2nc3c(C(OC4OC(CO)C(O)C(O)C4O)C(O)CO)nn(-c4ccccc4)c3nc2cc1C,CI,0
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccccc2)c2nc3cc(Cl)ccc3nc12,CI,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(O)C1O,CI,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(O)C1O,CI,0
CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCC)C1O,CI,0
CCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCC)C1O,CI,0
CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCCCC)C1O,CI,0
CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCCCCCC)C1O,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1,CI,0
Cc1ccc2[nH]c(Sc3c([N+](=O)[O-])ncn3C)nc2c1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nc2cc(F)c(Cl)cc2[nH]1,CI,0
COc1cc2nc(Sc3c([N+](=O)[O-])ncn3C)[nH]c2cc1OC,CI,0
COc1ccc(OC)c2[nH]c(Sc3c([N+](=O)[O-])ncn3C)nc12,CI,0
Cc1c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-].[Cl-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl)c(C)[n+]2[O-].[Cl-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-].[Cl-],CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NNC(=S)NN)C(=O)Nc1cccc(C(F)(F)F)c1)c[n+]2[O-],CI,0
Cc1c(C(=O)CC(=NO)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NNC(=O)CC#N)C(=O)Nc1ccccc1C(F)(F)F)c(C)[n+]2[O-],CI,0
CN(C)CCC(C=Cc1ccccc1)=NNc1ccccc1.Cl,CI,0
CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)c(Cl)c1.Cl,CI,0
CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)cc1Cl.Cl,CI,0
CN(C)CCC(C=Cc1ccccc1)=NNc1c(F)c(F)c(F)c(F)c1F.Cl,CI,0
CN(C)CC(C)(C)C(C=Cc1ccccc1)=NNc1ccccc1.Cl,CI,0
CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)cc1.Cl,CI,0
CN(N=Cc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1,CI,0
CN(N=Cc1cccc2cccnc12)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CN(N=Cc1cccc2cccnc12)c1ccccc1,CI,0
CN(N=Cc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1cccc2cccnc12,CI,0
CN(N=Cc1cccc2cccnc12)c1ccc(Cl)cc1[N+](=O)[O-],CI,0
CN(N=Cc1ccnc2ccccc12)c1ccccc1,CI,0
CN(N=Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1,CI,0
CN(N=Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CN(N=Cc1ccnc2ccccc12)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1ccnc2ccccc12,CI,0
CN(N=Cc1ccnc2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-],CI,0
O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc(Cl)c(Cl)c1,CI,0
O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc(Cl)cc1,CI,0
O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(ON=C1CCCC1=Cc1ccccc1)c1ccccc1,CI,0
Cc1ccc(C(=O)ON=C2CCCC2=Cc2ccccc2)cc1,CI,0
COc1ccc(C(=O)ON=C2CCCC2=Cc2ccccc2)cc1,CI,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(Cc1ccccc1)CC3,CI,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(Cc1ccc([N+](=O)[O-])cc1)CC3,CI,0
O=C(O)CCC1c2[nH]c3ccccc3c2CCN1Cc1ccccc1,CI,0
COC(=O)C1Cc2c(n(C)c3ccccc23)C(CCC(=O)O)N1Cc1ccccc1,CI,0
CCOC(=O)CC1(C(=O)OCC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1,CI,0
C=CCC(C(=O)OC)C1(C(=O)OC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cccc(C)c2O1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2ccc(C)cc2O1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2ccc(N)cc2O1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cc(I)cc(I)c2O1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cccc(OC)c2O1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cc(C)ccc2O1,CI,0
C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,CI,0
C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,CI,0
C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,CI,0
C=C1C(OC(=O)C(OC(C)=O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,CI,0
C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(O)C12)C3(C)C,CI,0
C=C1C(OC(=O)C(OC(C)=O)C(c2ccccc2)N(C)C)CC(O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2O)C1(C)C,CI,0
O=C(O)C(=O)O.O=c1c2ccccc2nc(-c2ccccc2)n1NCC1(O)OCC(O)C(O)C1O,CI,0
O=C(O)C(=O)O.O=c1c2ccccc2nc(-c2ccccc2Cl)n1NCC1(O)OCC(O)C(O)C1O,CI,0
O=C(O)C(=O)O.O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1NCC1(O)OCC(O)C(O)C1O,CI,0
Cc1ccc(-c2nc3ccccc3c(=O)n2NCC2(O)OCC(O)C(O)C2O)cc1.O=C(O)C(=O)O,CI,0
O=C(O)C(=O)O.O=c1c2cc(Br)ccc2nc(-c2ccccc2)n1NCC1(O)OCC(O)C(O)C1O,CI,0
O=C(O)C(=O)O.O=c1c2cc(Br)ccc2nc(-c2ccccc2Cl)n1NCC1(O)OCC(O)C(O)C1O,CI,0
O=c1c2ccccc2nc(-c2ccccc2)n1NC1OC(CO)C(O)C(O)C1O,CI,0
O=c1c2ccccc2nc(-c2ccccc2Cl)n1NC1OC(CO)C(O)C(O)C1O,CI,0
O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1NC1OC(CO)C(O)C(O)C1O,CI,0
Cc1ccc(-c2nc3ccccc3c(=O)n2NC2OC(CO)C(O)C(O)C2O)cc1,CI,0
O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NC1OC(CO)C(O)C(O)C1O,CI,0
O=c1c2ccc(Br)cc2nc(-c2ccccc2)n1NC1OC(CO)C(O)C(O)C1O,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(C=NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(C=NNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c2ccccc21,CI,0
COS(=O)(O)=[OH+].Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+](C)c3ccccc23)cc1,CI,0
O=S(=O)(NN=Cc1c2ccccc2[n+]([O-])c2ccccc12)c1ccc(Cl)cc1,CI,0
O=C(O)c1cc(S(=O)(=O)NN=Cc2c3ccccc3[n+]([O-])c3ccccc23)ccc1O,CI,0
Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+]([O-])c3ccccc23)cc1,CI,0
CNC(=N)c1ncn(C2OC(CO)C(O)C2O)n1.Cl,CI,0
CN=C(NC)c1ncn(C2OC(CO)C(O)C2O)n1.Cl,CI,0
N=C(NCC(=O)O)c1ncn(C2OC(CO)C(O)C2O)n1,CI,0
Cl.N=C(N)c1ncn(C2OC(CO)C(O)C2O)n1,CI,0
CNC(=O)c1ncn(C2OC(CO)C(O)C2O)n1,CI,0
OCC1(C(F)(F)F)OC(n2cncn2)CC1O,CI,0
O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccccc1,CI,0
Cc1ccc(C(=O)ON=C2CCCCC2=Cc2ccccc2)cc1,CI,0
O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccc(Cl)cc1,CI,0
O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccc(Cl)c(Cl)c1,CI,0
COc1ccc(C(=O)ON=C2CCCCC2=Cc2ccccc2)cc1,CI,0
O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccccc3)c2C)c1,CI,0
Cc1ccc(C(=O)n2nc(C)c(N=Nc3ccccc3)c2C)cc1,CI,0
Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccccc3Cl)c2C)c1,CI,0
Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccc(O)cc3)c2C)c1,CI,0
Cc1nn(C(=O)c2c(O)cccc2Br)c(C)c1N=Nc1ccccc1,CI,0
Cc1nn(C(=O)c2c(O)cccc2Cl)c(C)c1N=Nc1ccccc1,CI,0
COC1=C(C(=O)OC(C)(C)C)C2(C)C(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2(C)C1C(=O)OC(C)(C)C,CI,0
C=CCC1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2C1C(C(=O)OC(C)(C)C)=C(OC)C2(CC=C)C(=O)OC(C)(C)C,CI,0
CCOC(=O)C1=C(C)C(C(=O)OC)C2(C)C(C(=O)OCC)=C(O)C(C(=O)OC)C12C.[NaH],CI,0
COC(=O)C1=C(OC)C(C(=O)OC)C2(C)C(C(=O)OC)=C(OC)C(C(=O)OC)C12C,CI,0
COC1=C(C(=O)OC(C)(C)C)C2C(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2C1C(=O)OC(C)(C)C,CI,0
N#CC12CC(C=O)=C(N)C1(C#N)CC(C=O)=C2N,CI,0
O=C1C2c3[nH]c4ccccc4c3C3CCC(c4ccccc4)CC3C2C(=O)N1c1ccccc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5c(C)cccc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(F)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1,CI,0
COc1ccc(CCNCc2cccc(OC)c2OC)cc1OC,CI,0
N#CC(NCCc1ccccc1)c1ccccc1,CI,0
COc1cc(CC(C)NC(C)c2ccccc2)cc(OC)c1,CI,0
COc1cc(CC(C)NC(C)c2ccccc2)cc(OC)c1.Cl,CI,0
CC(=O)N(CCc1ccccc1)C(C#N)c1ccccc1,CI,0
CC(=O)N(CCc1ccccc1)C(C)(C#N)c1ccccc1,CI,0
Cc1cccc(C)c1NC(=O)C(=O)CC(=O)c1cccc([N+](=O)[O-])c1,CI,0
O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1,CI,0
Cc1ccccc1NC(=O)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2)cc1C,CI,0
O=C(CC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1,CI,0
O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1,CI,0
Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3c(O)nc(S)nc3[nH]2)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3cncnc3[nH]2)cc1,CI,0
COc1cc(C=C(NC(=O)c2ccccc2)c2nc3c(O)nc(S)nc3[nH]2)cc(OC)c1OC,CI,0
COc1cc(C=C(NC(=O)c2ccccc2)c2nc3cncnc3[nH]2)cc(OC)c1OC,CI,0
c1ccc2c(c1)nc1n2CSC1,CI,0
CC1SCc2nc3ccccc3n21,CI,0
CC1(C)SCc2nc3ccccc3n21,CI,0
CCC1(CC)SCc2nc3ccccc3n21,CI,0
CC(C)C1SCc2nc3ccccc3n21,CI,0
CC1(CF)SCc2nc3ccccc3n21,CI,0
O=C(O)c1cc2c(cn1)[nH]c1ccccc12,CI,0
COc1cc2c(cn1)[nH]c1ccccc12,CI,0
COC(=O)c1cc2c3ccccc3n(C(C)=O)c2cn1,CI,0
O=C(NCCO)c1cc2c(cn1)[nH]c1ccccc12,CI,0
CCOC(=O)c1cc2c(cn1)[nH]c1cccc(N)c12,CI,0
Cc1nccc2c1[nH]c1cc(O)ccc12.Cl,CI,0
O=C(CC(=O)C1CCOC1=O)C(=O)Nc1cccc(Cl)c1,CI,0
Cc1ccc(NC(=O)C(=O)CC(=O)C2CCOC2=O)c(C)c1,CI,0
Cc1ccccc1NC(=O)C(=O)CC(=O)C1CCOC1=O,CI,0
O=C(CC(=O)C1CCOC1=O)C(=O)Nc1ccc(Cl)cc1,CI,0
O=C(CC(=O)C1CCOC1=O)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
Cc1ccc(C)c(NC(=O)C(=O)CC(=O)C2CCOC2=O)c1,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=NN)C2=O)c1,CI,0
N#CCC(=O)NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NN)C1=O,CI,0
NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NNC(=S)NN)C1=O,CI,0
NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
Cc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1C,CI,0
Cc1cc(Cl)ccc1NC(=O)CC1SC(=N)NC1=O,CI,0
N=C1NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1,CI,0
N=C1NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1,CI,0
CCOc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1,CI,0
CCc1cccc(CC)c1NC(=O)CC1SC(=N)NC1=O,CI,0
O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(Cl)cc1,CI,0
O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(F)cc1,CI,0
O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(Cl)cc1,CI,0
O=C(CCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc(F)cc1,CI,0
O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(Br)cc1,CI,0
O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(F)cc1,CI,0
CC1=C(c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nc(NC#N)n2)Sc2ccccc2N1,CI,0
CC1=C(c2cc(C(=O)Nc3cccc(Cl)c3)nc(NC#N)n2)Sc2ccccc2N1,CI,0
CC1=C(c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ncn2)Sc2ccccc2N1,CI,0
CC1=C(c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc(N)n2)Sc2ccccc2N1,CI,0
CC1=C(c2cc(C(=O)Nc3ccc(Cl)cc3)nc(S)n2)Sc2ccccc2N1,CI,0
CC1=C(c2cc(C(=O)Nc3cc(C)ccc3C)nc(N)n2)Sc2ccccc2N1,CI,0
OCc1cc2c(cc1CO)OCC2,CI,0
CCOC(=O)C1Oc2ccc([N+](=O)[O-])cc2C1(C)O,CI,0
CCSC(=O)C1(C)Cc2ccccc2O1,CI,0
CC(=O)c1c(O)ccc2c1CC(CC=O)O2,CI,0
C=C(COC(=O)C(C)C)C1Oc2ccc(C(C)=O)cc2C1OC(=O)C(C)C,CI,0
C=C(CO)C1Oc2ccc(C(C)=O)cc2C1O,CI,0
O=C1C(=Cc2cccc(O)c2)COc2ccccc21,CI,0
O=C1C(=Cc2cccc([N+](=O)[O-])c2)COc2ccccc21,CI,0
O=C1C(=Cc2ccccc2Cl)COc2ccccc21,CI,0
O=C1C(=Cc2cccc([N+](=O)[O-])c2)COc2ccc(Br)cc21,CI,0
O=C1C(=Cc2ccc(Cl)cc2)COc2ccc(Br)cc21,CI,0
O=C1C(=Cc2ccccc2Cl)COc2ccc(Br)cc21,CI,0
NC1CSc2ccccc2NC1=O,CI,0
COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CCS2,CI,0
COc1cc(N)c2c(c1)SCCC(=O)N2,CI,0
COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CC(C)S2,CM,1
CCOC(C)=Nc1cc(OC)cc2c1NC(=O)CCS2,CI,0
COc1cc(NC=O)c2c(c1)SCCC(=O)N2,CI,0
Nc1nc(O)c2ncn(C3C=CC(CO)C3)c2n1,CM,1
Nc1ncnc2c1ncn2C1C=CC(CP(=O)(O)O)C1,CI,0
Nc1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1,CI,0
CNc1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1,CI,0
CN(C)c1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1,CI,0
Nc1nc(O)c2ncn(C3C=CC(COS(N)(=O)=O)C3)c2n1,CI,0
COc1cc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)cc(OC)c1OC,CI,0
COc1ccccc1C1c2cc3c(cc2OC2(OC)COC(=O)C12)OCO3,CI,0
COc1cc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)cc(OC)c1OC,CI,0
COc1ccc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)c(OC)c1,CI,0
COc1cccc(C2c3cc4c(cc3OC3COC(=O)C32)OCO4)c1OC,CI,0
COc1cc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)cc(OC)c1OC(C)=O,CI,0
Brc1ccc2noc(-c3ccccc3)c2c1,CI,0
Clc1ccc2noc(-c3ccccc3)c2c1,CI,0
COc1ccc(-c2onc3ccc(Cl)cc23)cc1,CI,0
Clc1ccc(-c2onc3ccc(Br)cc23)cc1,CI,0
COc1ccc(-c2onc3ccc(Br)cc23)cc1,CI,0
COc1cc2noc(-c3ccccc3)c2cc1OC,CI,0
CN1C(Cl)=NS(=O)(=O)c2ccccc21,CI,0
CCN1C(Cl)=NS(=O)(=O)c2ccccc21,CI,0
CN1C(NN)=NS(=O)(=O)c2ccccc21,CI,0
CCN1C(NN)=NS(=O)(=O)c2ccccc21,CI,0
CN1C(NCCO)=NS(=O)(=O)c2ccccc21,CI,0
CCN1C(NCCO)=NS(=O)(=O)c2ccccc21,CI,0
O=NNc1cnccn1,CI,0
Nc1nc(Cl)c(Cl)nc1C(=O)O,CI,0
O=C(O)c1nc(Cl)c(Cl)nc1O,CI,0
CC(=O)O.CC(=O)OC(=C(C#N)C#N)c1nccnc1C(C)=O,CI,0
CC(=O)OC(=C(C#N)C#N)c1nccnc1C(=O)O,CI,0
CC(=O)O.CCOC(=O)C(C(N)=O)=C(O)c1cnccn1,CI,0
OCC(O)C(O)C(O)c1nn(-c2ccccc2)c2nc3ccc(Cl)cc3nc12,CI,0
Cc1cc2nc3c(C(O)C(O)C(O)CO)nn(-c4ccc(F)cc4)c3nc2cc1C,CI,0
OCC(O)C(O)C(O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12,CI,0
OCC(O)C(O)C(O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12,CI,0
OCC(O)C(O)C(O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3nc12,CI,0
OCC(O)C(O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12,CI,0
NNC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
COC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
Clc1ccccc1OCc1nc2ccccc2[nH]1,CI,0
Clc1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
O=[N+]([O-])c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
COc1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2,CI,0
CC(C)c1cc2c(O)c(c1)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)C2,CI,0
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2,CI,0
OCCSCc1cc2c(O)c(c1)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)C2,CI,0
O=C(O)CSCc1cc2c(O)c(c1)Cc1cc(CSCC(=O)O)cc(c1O)Cc1cc(CSCC(=O)O)cc(c1O)Cc1cc(CSCC(=O)O)cc(c1O)C2,CI,0
CCCCCCCCCCN(CCCCCCCCCC)C(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C2,CI,0
CC(O)(C=CC1CC=CC(=O)O1)C(CC(O)C=CC=CC=CCO)OP(=O)(O)O.[NaH],CI,0
CC=CC=CC=CC(O)CC(OP(=O)(O)O)C(C)(O)C=CC1CC=CC(=O)O1,CI,0
CCC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O,CI,0
CCC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(CO)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O,CI,0
CC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O,CI,0
CC=CC=CC=CC(O)C(C)C(CCC(C)C1OC(=O)C=CC1C)OP(=O)(O)O.[NaH],CI,0
Clc1cccc(NC2=NCCN=C(Nc3cccc(Cl)c3Cl)SS2)c1Cl,CI,0
Fc1ccc(NC2=NCCN=C(Nc3ccc(F)cc3)SS2)cc1,CI,0
FC(F)(F)c1cc(NC2=NCCN=C(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)SS2)cc(C(F)(F)F)c1,CI,0
Clc1ccc(NC2=NCCN=C(Nc3ccc(Cl)cc3)SS2)cc1,CI,0
Clc1ccc(NC2=NCCN=C(Nc3ccc(Cl)c(Cl)c3)SS2)cc1Cl,CI,0
Clc1cccc(NC2=NCCN=C(Nc3cccc(Cl)c3)SS2)c1,CI,0
Cc1cc(=O)n2c(nc3ccccc32)s1,CI,0
Cc1ccc2c(c1)nc1sc(C)cc(=O)n12,CI,0
Cc1cc(=O)n2c(nc3cc(Cl)ccc32)s1,CI,0
Cc1cc(=O)n2c(nc3cc([N+](=O)[O-])ccc32)s1,CI,0
Cc1cc(=O)n2c(nc3cc(C)c(C)cc32)s1,CI,0
COC(=O)C=Cc1cc(=O)n2c(nc3ccccc32)s1,CI,0
O=C1NC(=O)C2C3C=CC(C12)C1C2C(=O)NC(=O)C2C31,CI,0
CCN(CC)CCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CCN(CC)CC)C(=O)C2C31.Cl,CI,0
CC(C)C(O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(O)(C(C)C)C(C)O)C(=O)C2C31)C(C)O,CI,0
O=C1C2C3C=CC(C2C(=O)N1COP(=O)(O)O)C1C2C(=O)N(COP(=O)(O)O)C(=O)C2C31.[NaH],CI,0
CC(C)C1=CC2C3C(=O)NC(=O)C3C1C1C3C(=O)NC(=O)C3C21,CI,0
[N-]=[N+]=NCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CN=[N+]=[N-])C(=O)C2C31,CI,0
O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3,CI,0
O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(cc21)OCO3,CI,0
CC(=O)Oc1c2c(cc3c1C(=O)NC1C3=CC(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OCO2,CI,0
CC(=O)OC1C(O)C=C2c3cc4c(c(O)c3C(=O)NC2C1OC(C)=O)OCO4,CI,0
CC(=O)OC1C=C2c3cc4c(c(O)c3C(=O)NC2C(OC(C)=O)C1OC(C)=O)OCO4,CI,0
CC(=O)Oc1c2c(cc3c1C(=O)NC1C3=CC(O)C(OC(C)=O)C1OC(C)=O)OCO2,CI,0
CCCCSc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1,CI,0
OC(c1ccccc1)c1cccc(C(O)c2ccccc2)c1,CI,0
Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1,CI,0
CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)c1,CI,0
CC(C)(C)c1ccc(O)c(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)ccc3O)c2O)c1,CI,0
Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(C)c3O)c2O)c1O,CI,0
O=C1c2ccccc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cc1ccc([PH](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
Cc1ccc2c(c1)C(=O)N(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O,CI,0
Cc1cccc2c1C(=O)N(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O,CI,0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1,CM,1
O=C(NN=Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F,CI,0
COc1ccc(C=NNC(=O)c2ccc(O)c(CN(C)C)c2)cc1.Cl,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=NNC(=O)c1cc(Cl)ccc1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=NNC(=O)c1ccccc1,CI,0
O=C(NN=Cc1ccccc1O)c1ccccc1O,CI,0
COc1cccc(C=NN=Cc2cccc(OC)c2O)c1O,CI,0
COc1ccc(C(C)=NN=Cc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
OCCSCCC(=NN=C(CCSCCO)c1ccccc1)c1ccccc1,CI,0
Clc1ccc(C=NN=Cc2ccc(Cl)cc2)cc1,CI,0
OC(CC(=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F,CI,0
Oc1ccccc1C=NN=Cc1ccccc1O,CI,0
COc1ccc(C=CC(=O)Oc2cc(O)cc(O)c2)cc1,CI,0
O=C(C=Cc1ccccc1)Oc1cccc(Br)c1,CI,0
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccccc1,CI,0
O=C(C=Cc1ccccc1)Oc1cccc(O)c1,CI,0
COc1ccccc1OC(=O)C=Cc1ccccc1,CI,0
COc1ccc(C=CC(=O)Oc2ccccc2OC)cc1,CI,0
COc1cc2cc[n+](C)c(Cc3ccccc3)c2cc1OC,CI,0
COc1cccc(Cc2c3cc(OC)ccc3cc[n+]2C)c1.[I-],CI,0
COc1ccc(Cc2c3cc(O)c([O-])cc3cc[n+]2C)cc1OC,CI,0
COc1ccc(Cc2c3cc(O)c([O-])cc3cc[n+]2C)cc1,CI,0
COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1.[I-],CI,0
COc1cc(N=NN(C)C)c(C(C)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC.I.[I-],CI,0
NC(=O)NC1C(c2ccccc2)=NOC1C(N)=O,CI,0
CNC(=O)NC1ON=C(c2ccccc2)C1C(=O)NC,CI,0
COC(=O)C1CC(c2ccc(Cl)cc2)=NO1,CI,0
CSCC1CC(c2ccc(Cl)cc2)=NO1,CI,0
CCCCC1CC(c2ccc(Cl)cc2)=NO1,CI,0
CCCCC1CC(c2cccc([N+](=O)[O-])c2)=NO1,CI,0
C(=Nc1ccccc1)c1ccc(C=Nc2ccccc2)cc1,CI,0
Sc1ccccc1N=Cc1ccc(C=Nc2ccccc2S)cc1,CI,0
COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OC)cc3)cc2)cc1,CI,0
CC(C)COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC(C)C)cc3)cc2)cc1,CI,0
CCC(C)COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC(C)CC)cc3)cc2)cc1,CI,0
CCC(C)CCOC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCCC(C)CC)cc3)cc2)cc1,CI,0
CC1=CC2C(O)(CC(CO)=CC3C4C(C)(C)C4(O)C(O)C(C)C32O)C1=O,CI,0
CCCC=CC=CC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(COC(C)=O)=CC2C2C(C)(C)C12OC(=O)C(C)C,CI,0
CCCC=CC=CC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(COC(C)=O)=CC2C2C(C)(C)C12OC(C)=O,CI,0
CCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(=O)CCC,CI,0
CC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C,CA,1
CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O,CA,1
CCOC(=O)CC1=NC(C)(C)CC(C)O1,CI,0
CC1CC(C)(C)N=C(CCC[N+](=O)[O-])O1,CI,0
CCCC(CC)C(C(=O)OCC)C1=NC(C)(C)CC(C)O1,CI,0
CC1CC(C)(C)N=C(C(C)CC(C)(C)C)O1,CI,0
CCOC(=O)C(CCC1=NC(C)(C)CC(C)O1)C(=O)OCC,CI,0
CC1CC(C)(C)N=C(CCCO)O1,CI,0
COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC,CI,0
O=C1C(=Cc2ccccc2)CSCC1=Cc1ccccc1,CI,0
O=C1C(=Cc2cccc(Br)c2)CSCC1=Cc1cccc(Br)c1,CI,0
CC(C)c1ccc(C=C2CSCC(=Cc3ccc(C(C)C)cc3)C2=O)cc1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)CSCC1=Cc1ccc(Cl)cc1,CI,0
COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC=O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0
COC1C=COC2(C)Oc3c(C)c(OC(C)=O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(C)=O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0
COC1C=COC2(C)Oc3c(C)c(OC(C)=O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0
CNC1=C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC3(C)Oc4c(C)c(O)c(c(c4C3=O)C1=O)C2=O,CI,0
C=CS(=O)(=O)CCN1CC1,CI,0
COC(=O)CCC(=O)N1CC1C,CI,0
NCCCNCCCCN1CC1,CI,0
CCN(CC)C(=O)CCN1CC1,CI,0
COC(=O)C=CN1CC1,CI,0
NCC#CCNCCCN1CC1,CI,0
O=C(c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O,CI,0
O=C(c1ccccc1Cl)c1c(O)c2ccccc2oc1=O,CI,0
O=C(c1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O,CI,0
O=C(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
O=C(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O,CI,0
CC(Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1)C(=O)O,CI,0
O=C(O)c1cnc2c(ccc3ncc(C(=O)O)c(O)c32)c1O,CI,0
Oc1ccnc2c1ccc1nccc(O)c12,CI,0
CCOC(=O)c1cnc2c(ccc3ncccc32)c1NCCCN(CC)CC,CI,0
Cc1cc(O)c2c(ccc3c(O)cc(C)nc32)n1,CI,0
CCOC(=O)c1cnc2c(ccc3ncccc32)c1OCC,CI,0
CCOC(=O)c1cnc2c(ccc3ncccc32)c1Cl,CI,0
N=c1ccn2c(n1)OC1C(OP(=O)(O)O)C(CO)OC12,CI,0
CC(=O)O.N=c1ccn2c(n1)OC1C(O)C(CO)OC12,CI,0
N=c1ccn2c(n1)OC1C(O)C(CO)OC12,CM,1
N=c1nc2n(cc1F)C1OC(CO)C(O)C1O2.O=CO,CI,0
N=c1nc2n(cc1F)C1OC(CO)C(O)C1O2,CI,0
N=c1ccn2c(n1)OC1C(O)C(CCl)OC12,CI,0
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(C(=O)OC)C4CCC3(C)C1(CO)CC2,CI,0
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,CI,0
C=CCOC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C(=O)O)CCC23C)C1(C)C,CI,0
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)C(O)C2,CI,0
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,CI,0
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1.[NaH],CI,0
CC1CCCC(C(=O)CC2CC(=O)NC(=O)C2)C1=O,CI,0
CC1CCC(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C1,CI,0
CN1C(=O)CC(CC(=O)C2CCCCC2=O)CC1=O,CI,0
O=C1CC(CC(=O)C2CCCCC2=O)CC(=O)N1,CI,0
CC1CC(C)C(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C1,CI,0
CC1CCC(=O)C(C(=O)CC2CC(=O)N(C)C(=O)C2)C1,CI,0
Clc1cccc(-c2ccc[nH]2)c1,CI,0
COc1c(Br)cc(Br)c(OC)c1-c1ccc[nH]1,CI,0
COc1c(Br)cc(Br)c(OC)c1-c1[nH]c(Br)c(Br)c1Br,CI,0
Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br,CI,0
CCOC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1,CI,0
C=CCn1c(N)c(C#N)c(C#N)c1-c1ccccc1,CI,0
CON(C)c1nc2ccccc2o1,CI,0
CCN(CC)CSc1nc2ccccc2o1,CI,0
COC(=O)Cc1nc2ccccc2o1,CI,0
CCCCN(CCCC)C(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2o1,CI,0
Cc1cc2nc(CC(C(F)(F)F)C(F)(F)F)oc2cc1C,CI,0
COC(=O)c1nc2c(C)c(O)c(O)c(C(C)CCC=C(C)C)c2o1,CI,0
CCOC(=O)C(Cl)C1(O)Cc2cccc3cccc1c23,CI,0
Nc1ccc2c3c(ccc([N+](=O)[O-])c13)CC2,CI,0
CC(=NO)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2,CI,0
O=[N+]([O-])c1ccc2c([N+](=O)[O-])ccc3c2c1CC3,CI,0
NC(=O)SCC(=O)Nc1ccc2cccc3c2c1CC3,CI,0
O=C(O)CSCC(=O)Nc1ccc2cccc3c2c1CC3,CI,0
CC1(C)NC(=S)NC1=O,CI,0
NC(=O)C(=CN1CC(=O)NC1=S)C(N)=O,CI,0
N#CC(C#N)=CN1C(=O)CNC1=S,CI,0
CCOC(=O)C(=CN1CC(=O)NC1=S)C(=O)OCC,CI,0
CCOC(=O)C(=O)C(=CN1CC(=O)NC1=S)C(=O)OCC,CI,0
N#CC(=CN1CC(=O)NC1=S)C(N)=O,CI,0
Cn1c(N)c(N=O)c(=O)n(C)c1=S,CI,0
CCOP(=O)(OCC)C(=Cn1ccc(=O)[nH]c1=S)C(=O)OC,CI,0
N#CC(=Cn1ccc(=O)[nH]c1=S)C(N)=O,CI,0
N#CC(C#N)=Cn1ccc(=O)[nH]c1=S,CI,0
CCOC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)OCC,CI,0
COC(=O)C(C#N)=Cn1ccc(=O)[nH]c1=S,CI,0
CN(C)CC1(C)Cc2sccc2C1=O,CI,0
Cl.NC1CC(=O)c2c1sc(Cl)c2Cl,CI,0
Cl.NC1CC(=O)c2c(Br)csc21,CI,0
Cl.NC1CC(=O)c2cc(Br)sc21,CI,0
Cc1cc2c(s1)C(N)CC2=O.Cl,CI,0
Cl.NC1CC(=O)c2cc(Cl)sc21,CI,0
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,CI,0
O=C(Cc1ccccc1)c1ccc(O)cc1O,CI,0
CCCNC(=O)c1ccccc1C(=O)C(Cl)c1ccccc1,CI,0
CCCCN(CCCC)C(=O)C(=O)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
COc1ccc(CC(=O)c2cc(OC)c(OC)cc2C)cc1OC,CI,0
COCOc1ccc(C(=O)C(C)c2ccc(OCOC)cc2OCOC)c(O)c1,CI,0
O=[N+]([O-])C1C=Nc2ccccc2N=C1,CI,0
CC1=Nc2ccccc2N=C(C)C1,CI,0
CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1.O=S(=O)(O)O,CI,0
CC1=Nc2ccc(Cl)cc2N=C(C)C1,CI,0
CC1=Nc2ccc(C)cc2N=C(C)C1,CI,0
CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1,CI,0
CCc1noc(N)c1C#N,CI,0
COc1onc(C)c1CC(=O)O,CI,0
O=Cc1cc([N+](=O)[O-])no1,CI,0
CCOC(=O)CC(=Nc1cc(C)on1)N(CC)CC.[O-][Cl+3]([O-])([O-])O,CI,0
CCC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F,CI,0
CCOC(=O)C(=O)Cc1nc2ccccc2n(C)c1=O,CI,0
CN(C)c1ccc2nc(C(=O)O)c(=O)n(C)c2c1,CI,0
CCOC(=O)C(Cc1nc2ccccc2n(C)c1=O)=NO,CI,0
Cn1c(=O)c(CC(C(=O)O)C(=O)O)nc2ccccc21,CI,0
Cn1c(=O)c(NC(=O)C(Cl)(Cl)Cl)nc2ccccc21,CI,0
CCOC(=O)c1nc2ccccc2n(CC)c1=O,CI,0
CCCCC1(CCO)C(=O)NC(=S)NC1=O,CI,0
CC=CCC1(C(C)C)C(=O)NC(=S)NC1=O,CI,0
NC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(N)=O,CI,0
CCOP(=O)(OCC)C(=CN1C(=O)CC(=O)NC1=S)C(=O)OC,CI,0
CCOC(=O)C(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)OCC,CI,0
N#CC(=CN1C(=O)CC(=O)NC1=S)C(N)=O,CI,0
CCN1C(=O)C(=O)C(CC)(CC)C1=O,CI,0
COCCNC(=O)C1C(=O)C(=O)N(CCOC)C1=O,CI,0
COCCCNC(=O)C1C(=O)C(=O)N(CCCOC)C1=O,CI,0
CCCNC(=O)C1C(=O)C(=O)N(CCC)C1=O,CI,0
N#CC1C(=O)NC(=O)C1=O,CI,0
CC(=O)C1C(=O)NC(=O)C1=O,CI,0
Cc1cc2c(c3[nH]c4ccccc4c13)C(=O)c1ccccc1C2=O,CI,0
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2ccccc21,CI,0
Cc1cc2c(c3c1c1ccccc1n3C)C(=O)c1ccccc1C2=O,CI,0
Cc1cc2c3ccccc3n(C)c2c2c1C(=O)c1ccccc1C2=O,CI,0
CCn1c2ccccc2c2ccc3c(c21)C(=O)c1ccccc1C3=O,CI,0
COc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)c1ccccc1C4=O,CI,0
O=[N+]([O-])c1ccc(O)c(C=NNC(=S)Nc2ccc(F)cc2)c1,CI,0
Fc1ccc(NC(=S)NN=Cc2c(Cl)cccc2Cl)cc1,CI,0
COc1ccc(C=NNC(=S)Nc2ccccc2)cc1,CI,0
S=C(NN=Cc1ccccc1Cl)Nc1ccccc1,CI,0
CN(C)c1ccc(C=NNC(=S)Nc2ccccc2)cc1,CI,0
COc1ccc(NC(=S)NN=Cc2ccc(NC(C)=O)cc2)cc1,CI,0
CC1(c2ccc3ccccc3c2)OC(=O)c2ccccc21,CI,0
CC1(c2ccc3cccc(F)c3c2)OC(=O)c2ccccc21,CI,0
CC1(c2ccc3ccccc3c2)OC(=O)c2cccc(F)c21,CI,0
COc1cccc2c1C(c1ccc3ccccc3c1)OC2=O,CI,0
COc1ccc2c(c1)C(c1ccc3ccccc3c1)OC2=O,CI,0
COc1cc(C2(C)OC(=O)c3ccccc32)c(OC)c2ccccc12,CI,0
O=C(Nc1ccc([N+](=O)[O-])cc1)OCC(COc1ccccc1)OC(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2)OC(=O)Nc2ccc(C)cc2)cc1,CI,0
Cc1ccccc1OCC(COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1,CI,0
COc1ccccc1OCC(COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1,CI,0
Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2Cl)OC(=O)Nc2ccc(C)cc2)cc1,CI,0
COc1ccccc1OCC(COC(=O)Nc1ccc(C)cc1)OC(=O)Nc1ccc(C)cc1,CI,0
N#Cc1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12,CI,0
OCC1OC(n2ccc3c(O)ncnc32)C(O)C1O,CI,0
CNC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12,CI,0
CSc1c(C(N)=O)c2c(N)ncnc2n1C1OC(CO)C(O)C1O,CI,0
NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12,CI,0
NNc1c(C(N)=O)c2c(N)ncnc2n1C1OC(CO)C(O)C1O,CI,0
Cc1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1C,CI,0
c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1,CI,0
O=[N+]([O-])c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1,CI,0
Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1,CI,0
CC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1,CI,0
O=C(O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1,CI,0
COc1ccc(C2=CC(=Cc3ccc(O)cc3O)C(=O)O2)cc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2C=C(c3ccccc3)OC2=O)cc1,CI,0
Cc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1,CI,0
Cc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1C,CI,0
Cc1ccc(C)c(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)c1,CI,0
COc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1,CI,0
Cc1c2ccccc2n[c-](CSc2ccccc2)[n+]1=O,CA,1
Cc1c2ccccc2n[c-](CSc2ccccc2N)[n+]1=O,CM,1
Cc1c2ccccc2n[c-](CSc2ccc(Cl)cc2)[n+]1=O,CM,1
Cc1ccccc1SC[c-]1nc2ccccc2c(C)[n+]1=O,CA,1
Cc1cccc(SC[c-]2nc3ccccc3c(C)[n+]2=O)c1,CM,1
Cc1ccc(SC[c-]2nc3ccccc3c(C)[n+]2=O)cc1,CM,1
COc1ccc(OC)c(N=Nc2c(O)nc3ccccc3c2O)c1,CM,1
O=S(=O)(O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1,CI,0
NC(=O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1,CI,0
CN(C)C(=O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1,CI,0
Cc1ccc(N=Nc2c(O)nc3ccccc3c2O)c(S(=O)(=O)N(C)C)c1,CI,0
Oc1nc2ccccc2c(O)c1N=Nc1cccc(C(F)(F)F)c1,CI,0
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,CI,0
O=S1(=O)NCNc2cc(C(F)(F)F)ccc21,CI,0
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,CI,0
CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,CI,0
COC(=O)CC1(C(=O)OC)Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O,CI,0
C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C,CI,0
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1S(=O)(=O)O,CA,1
Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[NaH],CA,1
Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(C=Cc4ccc(N=Nc5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c12.[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1S(=O)(=O)O.[NaH],CA,1
Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2ccccc12.[NaH],CM,1
Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc5cc(S(=O)(=O)O)ccc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc2cc(S(=O)(=O)O)ccc12.[NaH],CM,1
CCC1(c2ccccc2)NC(=O)N(C)C1=O,CI,0
O=CC1(c2ccccc2)NC(=O)NC1=O,CI,0
COc1ccc(C2(C(OC)OC)NC(=O)N(C)C2=O)cc1,CI,0
CC1(c2cc(Cl)c(Cl)cc2Cl)NC(=O)NC1=O,CI,0
CC(C)(C)c1cc(C2NC(=O)NC2=O)cc(C(C)(C)C)c1O,CI,0
CCOC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O,CI,0
Cc1cc(=O)oc(C)c1C(=O)O,CI,0
Cc1cc(O)oc(=O)c1,CI,0
CC(=O)c1c(O)cc(C)oc1=O,CI,0
CCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O,CI,0
CCOC(=O)C(O)=Cc1cc(OC)cc(=O)o1,CI,0
CCN(CC)C(=O)c1c(Cl)cc(N(CC)CC)oc1=O,CI,0
COc1ccccc1C=Cc1ccc2ccccc2n1,CI,0
COc1ccc(C=Cc2ccc3ccccc3n2)cc1OC,CI,0
COc1cc(C=Cc2ccc3ccccc3n2)cc(OC)c1OC,CI,0
COc1ccc(OC)c(C=Cc2ccc3ccccc3n2)c1,CI,0
COc1ccc(C=Cc2ccc3ccccc3n2)c(OC)c1,CI,0
CCN(CC)CCCC(C)Nc1cc(C=Cc2ccc(Cl)cc2)nc2cc(N(C)C)ccc12,CI,0
CC1(C)C(=NO)C(C)(C)C1=NO,CI,0
CC(C)(C)NN=C1C(C)(C)C(=NNC(C)(C)C)C1(C)C,CI,0
CC1(C)C(=NNC(=N)N)C(C)(C)C1=NNC(=N)N,CI,0
CC1(C)C(=NNC(=O)C[N+](C)(C)C)C(C)(C)C1=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0
COC(=O)NN=C1C(C)(C)C(=NNC(=O)OC)C1(C)C,CI,0
CC1(C)C(=NNC(=S)NN)C(C)(C)C1=NNC(=S)NN,CI,0
OC(c1ccccn1)c1c(Cl)cccc1Cl,CI,0
OC(C(c1ccccc1)c1ccccn1)(C(F)(F)F)C(F)(F)F,CI,0
N#CC(c1ccc(Cl)cc1)c1cccc(Cl)n1,CI,0
N#Cc1ccc(Cc2ccccn2)cc1Cl,CI,0
CC(C)(C)c1ccc(O)c(C(O)c2ccccn2)c1,CI,0
Cc1cccc(C(O)c2ccccn2)c1O,CI,0
N=C1NCCS1,CI,0
CC(=O)N1C(=N)SCC1C(N)=O,CI,0
CCOC(=O)C1CSC(=N)N1C(C)=O,CI,0
CCOC(=O)CN1CCSC1=NC#N,CI,0
COC(=O)CN1CCSC1=NC#N,CI,0
O=C(N=C1SCCN1C(=O)C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F,CI,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,CI,0
CC[N+](C)(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,CI,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)(O)O,CI,0
Cc1cc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)ccc1N(C)C,CI,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1,CI,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)[O-])cc1.[NaH],CI,0
O=C1NC2NC(=O)NC2N1,CI,0
O=C1N(CO)C2C(N1CO)N(CO)C(=O)N2CO,CI,0
O=C1NC2C(NC(=O)N2Cl)N1Cl,CI,0
O=C1N(Cl)C2C(N1Cl)N(Cl)C(=O)N2Cl,CI,0
CC(C)N1C(=O)N(Cl)C2C1N(Cl)C(=O)N2Cl,CI,0
CC(=O)C(C)C(=O)N1C(=O)N(C)C2(C)N(C)C(=O)NC12C,CI,0
CC(C)(O)O.CC1(O)C(O)C(O)C1(O)CO,CI,0
CCCCCCOC(=O)CC1CC(C(C)=O)C1(C)C,CI,0
COC1CC(Br)(C#N)C1,CI,0
OCC1(CO)CCC1(CO)CO,CI,0
CCS(=O)(=O)C1(C#N)CCC1(C#N)S(=O)(=O)CC,CI,0
CC(NC(=O)C(N)CC(=O)O)NC(=O)C1CCC1,CI,0
CCCCCCCC[N+]12CN3CN(CN(C3)C1)C2,CI,0
CC[N+]12CN3CN(CN(C3)C1)C2,CI,0
ClCC=CC[N+]12CN3CN(CN(C3)C1)C2,CI,0
BrC=C(Br)C[N+]12CN3CN(CN(C3)C1)C2,CI,0
ClC=CC[N+]12CN3CN(CN(C3)C1)C2,CI,0
C=C(Br)C[N+]12CN3CN(CN(C3)C1)C2.[Br-],CI,0
Cl.NCCCCCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1,CI,0
CN(C)CCCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1ccccc1,CI,0
COc1ccc(-c2csc(=Nc3ccccc3)n2CCCN(C)C)cc1,CI,0
Br.C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1OC,CI,0
CN(C)CCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1,CI,0
O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2ccccc2)C1=S)N1C(=O)CC(=O)N(c2ccccc2)C1=S,CI,0
O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2cccc(Cl)c2)C1=S)N1C(=O)CC(=O)N(c2cccc(Cl)c2)C1=S,CI,0
O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S,CI,0
COc1ccccc1N1C(=O)CC(=O)N(C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(c3ccccc3OC)C2=S)C1=S,CI,0
COc1ccc(N2C(=O)CC(=O)N(C(=O)CCCCCCCCC(=O)N3C(=O)CC(=O)N(c4ccc(OC)cc4)C3=S)C2=S)cc1,CI,0
CCOC1OC(CO[Si](C)(C)C(C)(C)C)C(O)CC1n1ccc(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(C)C)c(=O)[nH]c1=O,CI,0
CCOC1OC(COC(=O)C(C)(C)C)C(O)CC1n1cc(C)c(=O)[nH]c1=O,CI,0
CCOC1OC(CO)C(O)CC1n1ccc(=O)[nH]c1=O,CI,0
CC(C)OC1OC(CO)C(O)CC1n1cc(F)c(=O)[nH]c1=O,CI,0
O=c1c(Nc2ccccc2)cn(CCOc2ccccc2)c(=O)n1CCOc1ccccc1,CI,0
Cc1ccccc1Nc1cn(CCOc2ccccc2)c(=O)n(CCOc2ccccc2)c1=O,CI,0
Cc1cccc(Nc2cn(CCOc3ccccc3)c(=O)n(CCOc3ccccc3)c2=O)c1,CI,0
O=c1c(Nc2ccccc2)cn(CCOc2ccc(Cl)cc2)c(=O)n1CCOc1ccc(Cl)cc1,CI,0
Cc1ccc(OCCn2cc(Nc3ccccc3)c(=O)n(CCOc3ccc(C)cc3)c2=O)cc1,CI,0
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)NC(=O)NC3=O)cc1,CI,0
Cc1ccc(C2CC(=O)CC(c3ccc(C)cc3)C23C(=O)NC(=O)NC3=O)cc1,CI,0
O=C1CC(c2ccc(Cl)cc2)C2(C(=O)NC(=O)NC2=O)C(c2ccc(Cl)cc2)C1,CI,0
CN(C)c1ccc(C2CC(=O)CC(c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1,CI,0
Cc1ccccc1C1CC(=O)CC(c2ccccc2C)C12C(=O)NC(=O)NC2=O,CI,0
Cc1cn(C2COC(CO)C2CO)c(=O)[nH]c1=O,CM,1
COC(OC)C1OCC(n2ccc(=O)[nH]c2=O)C1O,CI,0
COC(OC)C1OC(CO)C(n2cc(F)c(=O)[nH]c2=O)C1O,CI,0
COC(OC)C1OCC(n2cc(F)c(=O)[nH]c2=O)C1O,CI,0
O=c1[nH]c(=O)n(C2COC(CO)C2O)cc1F,CI,0
CCOC(=O)c1ccc(C(=O)C(C#N)=C2CCCN2)[nH]1,CI,0
CCOC(=O)c1ccc(C(=O)C(C#N)=C2CCCN2C)[nH]1,CI,0
CCOC(=O)c1ccc(C(=O)C(C(C)=O)=C2CCCN2C)n1C,CI,0
CCOC(=O)c1ccc(C(=O)C(C(=O)OC(C)(C)C)=C2CCCN2C)n1C,CI,0
CCOC(=O)C(C(=O)c1ccc[nH]1)=C1CCCN1C,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)c2c(n[nH]c2O)CC1(C)O,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)c2c(n[nH]c2O)CC1(O)OCC,CI,0
CCOC(=O)C1C(c2ccc(O)c(OC)c2)c2c(n[nH]c2O)CC1(C)O,CI,0
C=CCOc1ccc(C2c3c(n[nH]c3O)CC(C)(O)C2C(=O)OC)cc1OC,CI,0
C=CCOc1ccc(C2c3c(n[nH]c3O)CC(O)(OCC)C2C(=O)OCC)cc1OC,CI,0
Cc1ccc2c(c1)-c1nc(N)c(C#N)c(-c3ccccc3)c1CCS2(=O)=O,CI,0
COc1cccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccc(C)cc2-3)c1,CI,0
Cc1ccc2c(c1)-c1nc(N)c(C#N)c(-c3ccc(Cl)cc3)c1CCS2(=O)=O,CI,0
Cc1ccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccccc2-3)cc1,CI,0
COc1ccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccccc2-3)cc1,CI,0
NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0
CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0
COc1ccccc1NCc1cccc2c(=O)c3ccc(Cl)cc3oc12,CI,0
COc1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0
c1ccc2c(c1)CCc1c-2n(CCN2CCCCC2)c2ccccc12,CI,0
COc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCCCC1)CC2,CI,0
COc1ccc2c(c1)c1c(n2CCN2CCCCC2)-c2ccccc2CC1,CI,0
COc1ccc2c(c1)CCc1c-2n(CCN2CCCCC2)c2ccc(OC)cc12,CI,0
COc1ccc2c(c1)c1c(n2CCN2CCCCC2)-c2cccc(OC)c2CC1,CI,0
COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12,CI,0
COC(=O)C(Cc1c(-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(C)=O,CI,0
CC(=O)NCCc1c(-c2[nH]c3ccccc3c2CCNC(C)=O)[nH]c2ccccc12,CI,0
COC(=O)CCCc1c(-c2[nH]c3ccccc3c2CCCC(=O)OC)[nH]c2ccccc12,CI,0
CCOC(=O)C(Cc1c(-c2[nH]c3ccccc3c2CC(NC(=O)CNC(C)=O)C(=O)OCC)[nH]c2ccccc12)NC(=O)CNC(C)=O,CI,0
O=c1c2c3c(sc2nc2n1N=CN(c1ccccc1)C2)CCCC3,CI,0
Cc1ccc(N2C=Nn3c(nc4sc5c(c4c3=O)CCCC5)C2)cc1,CI,0
COc1ccc(N2C=Nn3c(nc4sc5c(c4c3=O)CCCC5)C2)cc1,CI,0
O=c1c2c3c(sc2nc2n1N=CN(c1ccc(Cl)cc1)C2)CCCC3,CI,0
O=c1c2c3c(sc2nc2n1N=CN(c1ccc(F)cc1)C2)CCCC3,CI,0
Cc1cc(C)c2ccc(N3CCNCC3)nc2n1,CI,0
CCOC(=O)N1CCN(c2ccc3c(C)cc(C)nc3n2)CC1,CI,0
CCOC(=O)N1CCN(c2ccc3ccc(N)nc3n2)CC1,CI,0
Nc1ccc2ccc(N3CCNCC3)nc2n1,CI,0
O=CN1CCN(c2ccc3ccc(O)nc3n2)CC1,CI,0
COc1ccc(CCCNC(=O)Cc2cc(OC)c(OC)cc2CO)cc1OC,CI,0
COc1cccc(CCCNC(=O)Cc2cc(OC)c(OC)cc2CO)c1,CI,0
COc1cc(CO)c(CC(=O)NCCCc2ccccc2)cc1OC,CI,0
COc1ccc(CCCNC(=O)Cc2ccccc2CO)cc1OC,CI,0
COc1cccc(CCCNC(=O)Cc2ccccc2CO)c1,CI,0
COc1ccc(CCCCl)c(C2=NCCc3cc(OC)c(OC)cc32)c1.Cl,CI,0
COc1ccc(CCCCl)c(C2=NCCc3ccccc32)c1.Cl,CI,0
COc1cc2c(cc1OC)C(c1ccccc1CCCCl)=NCC2.Cl,CI,0
COc1ccc2c(c1)CCN=C2c1ccccc1CCCCl.Cl,CI,0
Cl.ClCCCc1ccccc1C1=NCCc2ccccc21,CI,0
CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sccc3CCCCCCCCCCCC)s2)s1,CI,0
NCc1ccc(-c2ccc(-c3ccc(-c4ccc(CN)s4)s3)s2)s1,CI,0
CSc1csc(-c2ccc(-c3ccc(-c4cc(SC)cs4)s3)s2)c1,CI,0
c1csc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c1,CI,0
Brc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)s1,CI,0
N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)NCc1ccccc1,CI,0
N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1,CI,0
N=c1oc2cc(O)ccc2cc1C(=O)NCc1ccccc1,CI,0
CCN(CC)c1ccc2cc(C(=O)NCc3ccccc3)c(=N)oc2c1,CI,0
COc1ccc2oc(=N)c(C(=O)NCc3ccccc3)cc2c1,CI,0
COc1ccc2oc(=O)c(-c3csc(-c4ccccc4)n3)cc2c1,CI,0
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(-c2ccccc2)n1,CI,0
COc1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CI,0
CCCCCCc1cc2cc(-c3csc(-c4ccc(OC)cc4)n3)c(=O)oc2cc1O,CI,0
CCN(CC)c1ccc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)c(=O)oc2c1,CI,0
CC(=O)N1CN2C(=O)CCC2c2ccccc21,CI,0
COc1ccc(OC)c2c1C1CCC(=O)N1CN2C(C)=O,CI,0
COc1ccc2c(c1)N(C(C)=O)CN1C(=O)CCC21,CI,0
CC(=O)N1CN2C(=O)CCC2c2cc(C)ccc21,CI,0
O=C1CCC2c3ccccc3NCN12,CI,0
O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccccc1,CI,0
COc1ccc(C=c2c(=O)[nH]c3nc4ccccc4c(=O)n23)cc1,CI,0
O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccc(Cl)cc1,CI,0
Cc1ccc(C=c2c(=O)[nH]c3nc4ccccc4c(=O)n23)cc1,CI,0
O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccc(O)cc1,CI,0
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(Nc3ccnc4ccccc34)ccc(S(=O)(=O)O)c2c1.[NaH],CI,0
Cc1cc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c2ccccc2n1.[NaH],CI,0
O=S(=O)(O)c1cc(Nc2ccnc3ccccc23)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1.[NaH],CI,0
COc1ccc(OC)c2c(Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc(C)nc12.[NaH],CI,0
COc1cc([N+](=O)[O-])c(OC)c2c(Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc(C)nc12.[NaH],CI,0
CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)C2c2ccc(Cl)cc2)S1,CI,0
CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)C2c2cccc(Br)c2)S1,CI,0
COc1ccc(C2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc1,CI,0
CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)C2c2ccc(F)cc2)S1,CI,0
COc1cc(C2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc(OC)c1OC,CI,0
O=C1CC2(CCC(O)(c3ccccc3)C(C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1,CI,0
O=C1CC2(CCC(O)(c3ccc(Cl)cc3)C(C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1,CI,0
COc1ccc(C(=O)C2CC3(CCC2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1,CI,0
COc1cc(C(=O)C2CC3(CCC2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC,CI,0
Cc1ccc(C(=O)C2CC3(CCC2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1,CI,0
COCn1cnc2c(=O)n(-c3ccc(C)cc3)c(=S)n(-c3ccc(C)cc3)c21,CI,0
O=c1c2ncn(CCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
O=c1c2ncn(COCCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
Cc1ccccc1-n1c(=O)c2ncn(CCCl)c2n(-c2ccccc2C)c1=S,CI,0
COCn1cnc2c(=O)n(-c3ccc(OC)cc3)c(=S)n(-c3ccc(OC)cc3)c21,CI,0
CC12CC(C#N)(C#N)C(C#N)(CO1)C(=N)O2,CI,0
CCC1OC2(C)CC(C#N)(C#N)C1(C#N)C(=N)O2,CI,0
CC1C2(C)OCC(C#N)(C(=N)O2)C1(C#N)C#N,CI,0
CC1C2(C)OC(=N)C(C#N)(C(C)O2)C1(C#N)C#N,CI,0
CC(C)C1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2C,CI,0
c1ccc2c(c1)CC1=C(O2)c2ccccc2OC1,CI,0
COc1ccc2c(c1)OCC1=C2Oc2ccccc2C1,CI,0
COc1ccc2c(c1)CC1=C(O2)c2ccc(OC)cc2OC1,CI,0
Brc1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1,CI,0
O=[N+]([O-])c1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1,CI,0
Cc1c(O)nc(-n2[nH]c3c(c2=O)CCCC3)nc1O,CI,0
CCOC(=O)c1cnc(-n2[nH]c3c(c2=O)CCCC3)nc1O,CI,0
O=C(O)c1cnc(-n2[nH]c3c(c2=O)CCCC3)nc1O,CI,0
N#Cc1cnc(-n2[nH]c3c(c2=O)CCCC3)nc1O,CI,0
Cc1cc(O)nc(-n2[nH]c3c(c2=O)CCCC3)n1,CI,0
CC1(C)C(=O)NC(=N)N1C(=O)OCc1ccccc1,CI,0
CCCC1C(=O)NC(=N)N1C(=O)OCc1ccccc1,CI,0
CCC(C)C1C(=O)NC(=N)N1C(=O)OCc1ccccc1,CI,0
N=C1NC(=O)C(CCC(N)=O)N1C(=O)OCc1ccccc1,CI,0
CSCCC1C(=O)NC(=N)N1C(=O)OCc1ccccc1,CI,0
CCCCc1ccc(Nc2nc(O)c3ncn(C4CC(O)C(CN=[N+]=[N-])O4)c3n2)cc1,CI,0
CCCCc1ccc(Nc2nc(O)c3ncn(C4OC(COC(C)=O)C(OC(C)=O)C4OC(C)=O)c3n2)cc1,CI,0
OCC1OC(n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)CC1O,CI,0
CCCCc1ccc(Nc2nc(OC)c3ncn(C4CC(O)C(CO)O4)c3n2)cc1,CI,0
OCC1OC(n2cnc3c(Cl)nc(Nc4ccccc4)nc32)CC1O,CI,0
CC(=O)Nc1ccc(CNc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
CC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1,CI,0
Cn1c(=O)cc(NCc2ccc(Cl)cc2)[nH]c1=O,CI,0
COc1ccc(CNc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
CN(Cc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,CI,0
CC(=O)Nc1ccc(NNc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
Cn1c(=O)cc(NNc2ccc(Br)cc2)[nH]c1=O,CI,0
Cn1c(=O)cc(NNc2ccc(Cl)c(Cl)c2)[nH]c1=O,CI,0
Cn1c(=O)cc(NNc2ccccc2)[nH]c1=O,CI,0
Cn1c(NNc2ccccc2)cc(=O)[nH]c1=O,CI,0
Cc1cc(=O)n2nc(CCl)sc2n1,CI,0
Cc1nc2sc(CCl)nn2c(=O)c1Cl,CI,0
CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1,CI,0
CCOC(=O)C(C(=S)SC)c1nn2c(=O)cc(C)nc2s1,CI,0
CCOC(=O)C(=C(SC)SC)c1nn2c(=O)cc(C)nc2s1,CI,0
NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(NNc4ccc(C(=O)O)cc4)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(=O)(=O)NC(=N)N)cc4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(NNc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1,CI,0
Cn1c2ccccc2c(=NNc2ccc(S(N)(=O)=O)cc2)c2ccccc21,CI,0
Cn1c2ccccc2c(=NNc2ccc(C(=O)O)cc2)c2ccccc21,CI,0
Cn1c2ccccc2c(=NNc2ccccc2C(=O)O)c2ccccc21,CI,0
Cn1c2ccccc2c(=NNc2cccc(C(=O)O)c2)c2ccccc21,CI,0
Cn1c2ccccc2c(=NNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21,CI,0
O=C(O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCCC3)C(=O)O)CCCC2,CI,0
COC(=O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCCC3)C(=O)OC)CCCC2,CI,0
O=C(O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2,CI,0
COC(=O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2,CI,0
COC(=O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2,CI,0
[CH2-][Pd-2]1([CH2-])[N+](c2ccccc2)=Cc2cccc[n+]21,CI,0
[CH2-][Pd-2]1([CH2-])[N+](c2ccc(C)cc2)=Cc2cccc[n+]21,CI,0
[CH2-][Pd-2]1([CH2-])[N+](c2ccc(OC)cc2)=Cc2cccc[n+]21,CI,0
[CH2-][Pd-2]1([CH2-])[N+](c2ccc(C(F)(F)F)cc2)=Cc2cccc[n+]21,CI,0
[CH2-][Pd-2]1([CH2-])[N+](c2ccc([N+](=O)[O-])cc2)=Cc2cccc[n+]21,CI,0
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccccc1,CI,0
CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3ccccc3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(C2C(C#N)=C(S)N(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(c3ccccc3)=C2C(C)=O)cc1,CI,0
COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(c3ccccc3)=C2C(C)=O)cc1,CI,0
CC(=O)C1=C(c2ccccc2)N(C2OC(CO)C(O)C(O)C2O)C(S)=C(C#N)C1c1ccc(Cl)cc1,CI,0
Nc1nc(Cl)cc(NCC2(O)CCCC2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CCCC2)n1,CI,0
CC(O)C1(CNc2cc(Cl)nc(N)n2)CCCC1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CCC(O)C2)n1,CI,0
Nc1nc(Cl)c(N)c(NCC2(CO)CCCC2)n1,CI,0
O=c1[nH]n(Cc2ccccc2CCl)c2ccc([N+](=O)[O-])cc12,CI,0
O=c1[nH]n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12,CI,0
O=c1[nH]n(Cc2ccccc2Cl)c2ccc([N+](=O)[O-])cc12,CI,0
COc1ccccc1Cn1[nH]c(=O)c2cc([N+](=O)[O-])ccc21,CI,0
O=c1[nH]n(Cc2ccccc2Cl)c2ccccc12,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccccc1)CS3,CI,0
Cc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1,CI,0
COc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccc(Cl)cc1)CS3,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccc([N+](=O)[O-])cc1)CS3,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(C=Nn2c(Cc3ccccc3)n[nH]c2=O)cc1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1O,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1Cl,CI,0
CC(=O)c1nc2ccccc2n1CC(=O)c1ccccc1,CI,0
CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)Cn2c(C(C)=O)nc3ccccc32)cc1,CI,0
CC(=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)c1nc2ccccc2n1C(C)C(=O)c1ccccc1,CI,0
Cl.c1ccc2c(c1)CCN1CCc3ccccc3C1C2,CI,0
COc1ccc2c(c1)CCN1CCc3ccccc3CC21,CI,0
COc1cc2c(cc1OC)C1Cc3ccccc3CCN1CC2,CI,0
COc1ccc2c(c1)CCN1CCc3cc(OC)c(OC)cc3CC21,CI,0
COc1cc2c(cc1OC)CC1c3cc(OC)c(OC)cc3CCN1CC2,CI,0
O=C1Cc2c(-c3ccccc3)cc(-c3ccccc3)nc2-c2ccccc2N1,CI,0
O=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1,CI,0
O=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1,CI,0
COc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2NC(=O)C3)cc1,CI,0
COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1OC,CI,0
O=c1c2c3c(sc2nc2n1N=C(c1ccc(Br)cc1)CS2)CCCC3,CI,0
Cc1ccc(C2=Nn3c(nc4sc5c(c4c3=O)CCCC5)SC2)cc1,CI,0
COc1ccc(C2=Nn3c(nc4sc5c(c4c3=O)CCCC5)SC2)cc1,CI,0
O=c1c2c3c(sc2nc2n1N=C(c1ccc(Cl)cc1)CS2)CCCC3,CI,0
O=c1c2c3c(sc2nc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2)CCCC3,CI,0
CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F,CI,0
CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0
COc1ccc(NS(=O)(=O)c2ccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nn1,CI,0
CC(=Nc1ccc(Cl)cc1)c1ccncc1,CI,0
CC(=Nc1cc(Cl)cc(Cl)c1)c1ccncc1,CI,0
CC(=Nc1ccc(Cl)c(Cl)c1)c1ccncc1,CI,0
CC(=Nc1cccc(Cl)c1)c1ccncc1,CI,0
COc1ccc(N=C(C)c2ccncc2)cc1,CI,0
CC(Nc1ccc(Cl)cc1)c1ccncc1,CI,0
CC(Nc1cc(Cl)cc(Cl)c1)c1ccncc1,CI,0
CC(Nc1ccc(Cl)c(Cl)c1)c1ccncc1,CI,0
CC(Nc1cccc(Cl)c1)c1ccncc1,CI,0
COc1ccc(NC(C)c2ccncc2)cc1,CI,0
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1,CI,0
Cc1ccc(CC2(C(=O)O)Cc3ccc(C)cc3C2)cc1,CI,0
O=C(O)C1(Cc2ccccc2)Cc2ccccc2C1,CI,0
O=C(O)c1ccccc1CC1Cc2ccccc2C1,CI,0
COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1O,CI,0
COC(=O)c1c2c(cc3c1CCC3)CCC2,CI,0
CC(=O)c1c2c(cc3c1CCC3)CCC2,CI,0
COC(O)C(=O)c1c2c(cc3c1CCC3)CCC2,CI,0
ON=Cc1c2c(cc3c1CCC3)CCC2,CI,0
COC(=O)C1Cc2cc3c(cc2C1)CCC3,CI,0
COC(=O)c1cc(CC2Cc3cc4c(cc3C2)CCC4)cc2c1CCC2,CI,0
COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1)CCC4)CCC2,CI,0
CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3,CI,0
O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3,CI,0
CCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1,CI,0
FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1)C(F)(F)F,CI,0
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1,CI,0
CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1,CI,0
CCOC(=O)C1(C(F)(F)F)N=C(CC)OC(N2CCOCC2)=N1,CI,0
CCOP1(=O)N=C(NC#N)N(C)C1(C)C,CI,0
CN1C(NC#N)=NP(=O)(O)C1(C)C.N,CI,0
CCCN.CCOP1(=O)N=C(NC#N)N(C)C1(C)C,CI,0
CCOP1(=O)N=C(NC(=N)N(CC)CC)N(C)C1(C)C,CI,0
CCC1(C)N(C)C(NC#N)=NP1(=O)O.N,CI,0
S=C1NC2=C(CSCC2=Cc2ccccc2)C(c2ccccc2)N1,CI,0
S=C1NC2=C(CSCC2=Cc2cccc(Br)c2)C(c2cccc(Br)c2)N1,CI,0
CC(C)c1ccc(C=C2CSCC3=C2NC(=S)NC3c2ccc(C(C)C)cc2)cc1,CI,0
S=C1NC2=C(CSCC2=Cc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1,CI,0
COc1ccc(C=C2CSCC3=C2NC(=S)NC3c2ccc(OC)c(OC)c2OC)c(OC)c1OC,CI,0
CC1(C)C=C(C=NNc2ccc([N+](=O)[O-])cc2)C(C#N)=C(O)C1(C#N)C#N,CI,0
CC1(C)C=C(C=NNc2ccccc2)C(C#N)=C(O)C1(C#N)C#N,CI,0
COc1ccc(NN=CC2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1,CI,0
CC1(C)C=C(C=NNc2ccc(Br)cc2)C(C#N)=C(O)C1(C#N)C#N,CI,0
Cc1ccc(NN=CC2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1,CI,0
CC=C1CNC1C(=O)O,CI,0
CC(C)(C)OC(=O)C1C(=CCO)CN1C(=O)OC(C)(C)C,CI,0
CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C,CI,0
CC=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0
CCSC(=O)C=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0
CON=C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0
Cc1cn(C2CC(=NO)C(CO)O2)c(=O)[nH]c1=O,CM,1
CC(=O)SCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1=NO,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=NO,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC1=NO,CI,0
CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CM,1
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1,CI,0
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1,CM,1
O=C(O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O,CI,0
N#CCCC1(CCC#N)CCCCCCCCC(CCC#N)(CCC#N)C(=O)C1=O,CI,0
O=C1C(=O)C(CCCO)(CCCO)CCCCCCCCC1(CCCO)CCCO,CI,0
COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O,CI,0
CCOC(=O)CCC1(CCC(=O)OCC)CCCCCCCCC(CCC(=O)OCC)(CCC(=O)OCC)C(=O)C1=O,CI,0
CC(C)(C)C1=C(Br)C(OC(=O)C(F)(F)F)(C(C)(C)C)OP1(=O)c1ccccc1,CI,0
CC(C)(C)C1=C(Br)C(F)(C(C)(C)C)OP1(=O)c1ccccc1,CI,0
CC(C)(C)C1=C(Br)C(Br)(C(C)(C)C)OP1(=O)c1ccccc1,CI,0
CC1(C)OP(=O)(c2ccccc2)C=C1Br,CI,0
CC(C)(C)C1=C(Br)C(O)(C(C)(C)C)OP1(=O)c1ccccc1,CI,0
O=C1c2ccccc2C2C1C(c1ccccc1)C1(Cc3ccccc3C1=O)C2c1ccccc1,CI,0
COc1ccc2c(c1)C(=O)C1(C2)C(c2ccccc2)C2C(=O)c3cc(OC)ccc3C2C1c1ccccc1,CI,0
Cc1ccc2c(c1)CC1(C2=O)C(c2ccccc2)C2C(=O)c3ccc(C)cc3C2C1c1ccccc1,CI,0
COc1cc2c(cc1OC)C(=O)C1(C2)C(c2ccccc2)C2C(=O)c3cc(OC)c(OC)cc3C2C1c1ccccc1,CI,0
COc1cc(C2C3C(=O)c4ccccc4C3C(c3cc(OC)c(OC)c(OC)c3)C23Cc2ccccc2C3=O)cc(OC)c1OC,CI,0
O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2ccccc2)c1,CI,0
Nc1ccc(C2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1,CM,1
O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2ccccc2Cl)c1,CM,1
O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2ccc(Cl)cc2Cl)c1,CI,0
CN(C)c1ccc(C2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1,CI,0
CC(=O)OCC1OC(n2c(C)cc(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1
CCc1cc(-c2ccco2)c(C#N)c(=S)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1cc(-c2ccco2)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O,CI,0
CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,CI,0
CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc1,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc(OC)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1OC,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1O,CI,0
COc1cc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc(OC)c1O,CI,0
CN1CC(=Cc2ccccc2)C2=C(C1)C(c1ccccc1)NC(=S)N2.Cl,CI,0
CN1CC(=Cc2ccc(Cl)cc2)C2=C(C1)C(c1ccc(Cl)cc1)NC(=S)N2.Cl,CI,0
Cc1ccc(C=C2CN(C)CC3=C2NC(=S)NC3c2ccc(C)cc2)cc1.Cl,CI,0
CN1CC(=Cc2ccccc2Cl)C2=C(C1)C(c1ccccc1Cl)NC(=S)N2.Cl,CI,0
COc1cc(C=C2CN(C)CC3=C2NC(=S)NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl,CI,0
CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(=O)OCC,CI,0
CN1CN(c2ccccc2)C2(CCN(CCCCCCF)CC2)C1=O.Cl,CI,0
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CI,0
CN1CN(c2ccccc2)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O,CI,0
CN1CN(c2ccccc2)C2(CCNCC2)C1=O,CI,0
CCC=CC(O)(C(=O)OC1CCN(C)CC1)C1CCCC1,CI,0
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCC1,CI,0
C=CCN1CCC(OC(=O)C(O)(C=CCC)C2CCCC2)CC1,CI,0
C=CCN1CCC(OC(=O)C(O)(C#CC)C2CCCC2)CC1,CI,0
CC#CC(O)(C(=O)OC1CC(C)N(C)C(C)(C)C1)C1CCCC1,CI,0
CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1,CI,0
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1,CI,0
CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1,CI,0
CC(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCCC1,CI,0
C=C(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCCC1,CI,0
COc1cc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O,CI,0
COc1ccc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1OC,CI,0
COc1ccc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1,CI,0
COc1ccccc1C1C2=C(COC2=O)OC(C)(C)Oc2cc3c(cc21)OCO3,CI,0
Cc1cn(C2CC(C)N(CCO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(CO)N(CCO)O2)c(=O)[nH]c1=O,CI,0
CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCO[Si](C)(C)C(C)(C)C,CI,0
CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCO,CI,0
Cc1cn(C2CC(C)(CO)N(C)O2)c(=O)[nH]c1=O,CI,0
COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)C1,CI,0
COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc(C)cc2)C1,CI,0
COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc([N+](=O)[O-])cc2)C1,CI,0
Cc1nn(-c2ccccc2)c2c1N=C(C(=O)O)CC(c1ccccc1)=N2,CI,0
Cc1ccc(C2=Nc3c(c(C)nn3-c3ccccc3)N=C(C(=O)O)C2)cc1,CI,0
C#CCn1c(=O)c2ccccc2n(CC#C)c1=O,CI,0
C#CCn1c(=O)c2cc(OC)c(OC)cc2n(CC#C)c1=O,CI,0
CCCCOCn1c(=O)[nH]c(=O)c2ccccc21,CI,0
CCCCOCn1c(=O)[nH]c(=O)c2cc(Br)ccc21,CI,0
O=c1[nH]c(=O)n(COCCO)c2ccc(Br)cc12,CI,0
Cc1nc(SCC(=O)Nc2ccccc2)c2sc(=S)n(-c3ccccc3)c2n1,CM,1
CC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1,CI,0
COc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1,CI,0
Cc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1,CI,0
Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2sc(=S)n(-c3ccccc3)c2n1,CI,0
Cn1c(=O)c2nc(Nc3ccccc3)[nH]c2n(C)c1=O,CI,0
COc1ccccc1Nc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,CI,0
COc1cccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1,CI,0
COc1ccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1,CI,0
Cn1c(=O)c2nc(Nc3cccc(Cl)c3)[nH]c2n(C)c1=O,CI,0
Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(Cl)cc1Cl.[NaH],CI,0
Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(SCC(=O)O)cc1Cl,CI,0
CCCCC(Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1n[nH]c(=N)[nH]1)C(=O)OC,CI,0
COC(=O)CSc1cc(Cl)c(C)cc1S(=O)(=O)Nc1n[nH]c(=N)[nH]1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)C(=Cc2cccc(O)c2)SC1=S,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)C(=Cc2cccc(OC)c2O)SC1=S,CI,0
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1,CI,0
COc1ccc(C=C2SC(=S)N(C=C3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1OC,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S,CI,0
CC(C)=Nn1cnc2c1=NC(C)(C)NC=2C(N)=O,CI,0
CC1(C)N=c2c(ncn2CCO)=C(C(N)=O)N1,CI,0
CC1(C)N=c2c(ncn2CCCO)=C(C(N)=O)N1,CI,0
CC1(C)N=c2c(ncn2N)=C(C(N)=O)N1,CI,0
CCC1(C)N=c2c(ncn2N=C(C)C)=C(C(N)=O)N1,CI,0
N#Cc1ccc(-c2nc(C#N)c(N)o2)cc1,CM,1
N#Cc1nc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc1N,CI,0
N#Cc1nc(-c2ccccc2C(=O)O)oc1N,CI,0
COC(=O)c1ccc(-c2nc(C#N)c(N)o2)cc1,CI,0
N#Cc1nc(-c2ccccc2O)oc1N,CI,0
CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32,CI,0
COc1ccc2c(c1)C1=NCCN(CCO)c3ccc([N+](=O)[O-])c(c31)N2,CI,0
CCN(CC)CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32,CI,0
COc1ccc2c(c1)C1=NCCN(CCN(C)C)c3ccc([N+](=O)[O-])c(c31)N2,CI,0
COc1ccc2c(c1)C1=NCCN(C)c3ccc([N+](=O)[O-])c(c31)N2,CI,0
CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccccc1,CI,0
COc1ccccc1NC(=O)C(=CN1CCNC1=S)C(C)=O,CI,0
CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccc(Cl)cc1,CI,0
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH],CI,0
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc2cccnc2c1O.[NaH],CI,0
O=Cc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(C=O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH],CM,1
O=C(O)CSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCC(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH],CA,1
O=C(O)CCSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCCC(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH],CA,1
O=C1Nc2ccccc2C1=NNc1nc(-c2ccc(Br)cc2)cs1,CI,0
O=C1Nc2ccccc2C1=NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1,CI,0
O=C1Nc2ccccc2C1=NNc1nc(-c2ccccc2)cs1,CI,0
O=C1Nc2ccccc2C1=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1,CI,0
Cc1sc(NN=C2C(=O)Nc3ccccc32)nc1-c1ccccc1,CI,0
CCOc1ccccc1C=C1NC(=O)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2cccc(O)c2)C1=O,CI,0
COc1cc(C=C2NC(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)ccc1O,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2ccccc2O)C1=O,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2ccccc2Br)C1=O,CI,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N)cc1,CI,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1[N+](=O)[O-],CI,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1O,CI,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(CS)cc1,CI,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CON(C)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CI,0
COc1cc(COC(=O)N(C)C(Cc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC,CI,0
COC(=O)NC(=O)NC(Cc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CCOC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC,CI,0
CC(=O)OC1CC2(C)OC(Cc3ccccc32)O1,CI,0
CC(=O)OC1CC2OC(Cc3ccccc32)O1,CI,0
CN(C)C1COC2Cc3ccccc3C1O2,CI,0
CN(C)C1COC2Cc3ccccc3C1O2.Cl,CI,0
CN(C)CC1COC2Cc3ccccc3C1O2.Cl,CI,0
N#CNC1=NCCC(=O)N1CCc1c[nH]c2ccccc12,CM,1
O=C1CCN=C(NC(=O)C(F)(F)F)N1CCc1c[nH]c2ccccc12,CI,0
Br.NC(=O)NC1=NCCC(=O)N1CCc1c[nH]c2ccccc12,CI,0
CC(=O)NC(=O)NC1=NCCC(=O)N1CCc1c[nH]c2ccccc12,CI,0
N#CNC1=NC(C(=O)O)CC(=O)N1CCc1c[nH]c2ccccc12,CI,0
Nc1ccc(O)c(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
COc1ccc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1OC,CI,0
COc1cc(OC)c(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC,CI,0
COc1cc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC,CI,0
COc1ccccc1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccccc1,CI,0
Cc1nc2ccccc2c(=O)n1NC(=S)Nc1cccc(Cl)c1,CI,0
COc1cccc(NC(=S)Nn2c(C)nc3ccccc3c2=O)c1,CI,0
Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-],CI,0
Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1,CI,0
CC(C)C(C=Cc1ccccc1)=NNC(=O)NN=C(C=Cc1ccccc1)C(C)C,CI,0
CC(C)C(C=Cc1ccc(Cl)cc1)=NNC(=O)NN=C(C=Cc1ccc(Cl)cc1)C(C)C,CI,0
CC(C)C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(=O)NN=C(C=Cc1ccc(Cl)c(Cl)c1)C(C)C,CI,0
COc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(OC)cc2)C(C)C)C(C)C)cc1,CI,0
Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)C)C(C)C)cc1,CI,0
Cc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)cc1,CI,0
Cc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1,CI,0
CCOc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)cc1,CI,0
CCOc1ccc(NCC(=O)N2CC(=O)Nc3cc(C)c(C)cc32)cc1,CI,0
CCOc1ccc(N(CC(=O)N2CC(=O)Nc3cc(C)c(C)cc32)C(C)=O)cc1,CI,0
CN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc21,CI,0
CN(C)C(=O)OC1C(=O)N(C)c2ccc(Cl)cc2C2(c3ccccc3)N1C2(Cl)Cl,CI,0
O=C1CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F,CI,0
C#CCN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc21,CI,0
CN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,CI,0
Cc1c(C=NNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CI,0
COc1ccc(C(=O)NN=Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0
Cc1c(C=NNC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(C=NNC(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(C=NNC(=O)c2cc(Br)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C,CI,0
CN(C)CC1CCCCCC(CN(C)C)C1=O.Cl,CI,0
CC1(C)CCCCCC(C)(CCCO)C1=O,CI,0
CC1(C)CCCCCC(C)(CCCCCCCCCCCO)C1=O,CI,0
CC1(CCCO)CCCCCC(C)(CCCO)C1=O,CI,0
CCOC(=O)C1(CC=CCBr)CCCCCCC1=O,CI,0
CNC=C(C(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1,CI,0
CC(=O)NNC(=S)NC=C(C(=O)c1ccccc1)c1ccccc1,CM,1
C=CCNC(=S)NC=C(C(=O)c1ccccc1)c1ccccc1,CI,0
O=C(C(=C(Br)I)c1ccccc1)c1ccccc1,CI,0
O=C(C(=C(I)I)c1ccccc1)c1ccccc1,CI,0
COC(=O)CC(NC(=O)OCc1ccccc1)C(C(C)=O)C(=O)OCc1ccccc1,CI,0
COC(=O)CC(NC(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)C(C)(OC)OC,CI,0
COC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CC(NC(=O)C(C)(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CI,0
CC(C)(C)COC(=O)C(C)(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
c1ccc2nc3c(cc2c1)[nH]c1ccccc13,CI,0
Cn1c2ccccc2c2nc3ccccc3c(Cl)c21,CI,0
Nc1ccc2cc3[nH]c4cc(N)ccc4c3nc2c1,CI,0
CC(=O)Nc1ccc2cc3[nH]c4cc(NC(C)=O)ccc4c3nc2c1,CI,0
Clc1c2ccccc2nc2c1[nH]c1ccccc12,CI,0
COC(=O)C(=Cc1ccc(OC)cc1)C(C(=O)O)=C(C)c1ccccc1,CI,0
CN(C)c1ccc(C=CC=C(C#N)c2ccccc2)cc1,CI,0
O=[N+]([O-])C(=Cc1ccccc1)C(=Cc1ccccc1)[N+](=O)[O-],CI,0
COc1ccc(C=C(C(=Cc2ccc(OC)cc2)[N+](=O)[O-])[N+](=O)[O-])cc1,CI,0
Cc1cc(C)c(C=C(C(=Cc2c(C)cc(C)cc2C)[N+](=O)[O-])[N+](=O)[O-])c(C)c1,CI,0
COC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O,CI,0
CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O,CI,0
CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2(Cl)C(=O)O,CI,0
COC(=O)C1C(C(=O)OC)C2(OC)c3ccccc3-c3ccccc3C12,CI,0
COC(=O)C1C2c3ccccc3-c3ccccc3C2(OC(C)=O)C1(Cl)C(=O)OC,CI,0
COc1cc(C(=O)O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC,CI,0
COC(=O)c1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C=O)OCO2,CI,0
COC(=O)C=Cc1cc2c(cc1-c1c(C(=O)O)cc(OC)c(OC)c1OC)OCO2,CI,0
COc1cc(C=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC,CI,0
COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C(C)=O)OCO2)C(=O)OC,CI,0
CC(=NNC(=N)N)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NN)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=NNC(N)=O)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
CC(=O)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0
COC(=O)NN=C(C)C(CN1CCOCC1)C(c1ccccc1)c1cc2ccccc2oc1=O.Cl,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O,CI,0
CC1(C)CC2=C(Sc3ccccc3N2)C(=O)C1C(=O)C(=O)Nc1cc(Cl)ccc1Cl,CI,0
CC1(C)CC2=C(Sc3ccccc3N2)C(=O)C1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O,CI,0
Cc1ccc(C)c(NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)Nc2ccccc2S3)c1,CI,0
CCN(CC)CCCC(C)Nc1ccnc2ccc3nn(C)nc3c12.O=P(O)(O)O,CI,0
CC(C)NCCCC(C)Nc1ccnc2ccc3nn(C)nc3c12.O=P(O)(O)O,CI,0
Cn1nc2ccc3nccc(NCCNCCO)c3c2n1,CI,0
Cn1nc2ccc3nccc(N(CCO)CCO)c3c2n1,CI,0
Cn1nc2ccc3nccc(NCCNCCCl)c3c2n1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1cc(F)cc(F)c1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1ccc(F)cc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1c(F)c(F)c(F)c(F)c1F,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[KH],CA,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[Na+],CA,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)n(C)c1.[Na+],CM,1
CCOP(=O)(OCC)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(P(=O)(OCC)OCC)c7cccc(P(=O)(OCC)OCC)c7c6)n(C)c5)n(C)c4)cn3C)cn2C)cc2c(P(=O)(OCC)OCC)cccc12,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(P(=O)(O)O)c5cccc(P(=O)(O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(P(=O)(O)O)c3cccc(P(=O)(O)O)c3c2)n(C)c1.[NaH],CA,1
COc1cc2cccc(N=Cc3cccc(OC)c3OC(C)C)c2cc1OC,CI,0
COc1cc2cccc(N=Cc3c(Br)ccc(OC)c3OC(C)C)c2cc1OC,CI,0
COc1cc(Br)c(C=Nc2cccc3cc(OC)c(OC)cc23)cc1OC,CI,0
COc1cc2cccc(N=Cc3ccccc3Cl)c2cc1OC,CI,0
COc1ccc(Br)c(C=Nc2cccc3cc(OC)c(OC)cc23)c1,CI,0
O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21,CI,0
Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21,CI,0
N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21,CI,0
Cc1ccc(Cl)c(NC(=O)C(=O)C(C(=O)c2ccncc2)C2OC(=O)c3ccccc32)c1,CI,0
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21,CI,0
CC(=O)c1ccc(NC(=O)C(=O)C(C(=O)C=Cc2ccccc2)C2OC(=O)c3ccccc32)cc1,CI,0
Cc1ccc(NC(=O)C(=O)C(C(=O)C=Cc2ccccc2)C2OC(=O)c3ccccc32)c(C)c1,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21,CI,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21,CI,0
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21,CI,0
COc1cc(C=NNC(=O)CC(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)ccc1O,CI,0
CC(=NNC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(C)=NNC(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1,CI,0
Cc1ccc(N(C(=O)CC(=O)NN=Cc2ccccc2O)C(=O)c2ccccc2)cc1,CI,0
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)NN=Cc1ccccc1O,CI,0
CCSC1=C(C)N(C=NC(C)(C)C)CC1,CI,0
C=CCN1C(N)=C(C#N)C(C#N)(C#N)C1CCC,CI,0
CCC=NN1C(N)=C(C#N)C(C#N)(C#N)C1CC,CI,0
CC(C)C=NN1C(N)=C(C#N)C(C#N)(C#N)C1C(C)C,CI,0
COC(=O)C1CC(C=[N+](C)C)=C(SC)N1.[I-],CI,0
CN1c2ccccc2N(C(=O)c2ccccc2)C(CC(=O)O)c2cccn21,CI,0
Cc1ccc(C(=O)N2c3ccccc3N(C)n3cccc3C2CC(=O)O)cc1,CI,0
COc1ccc(C(=O)N2c3ccccc3N(C)n3cccc3C2CC(=O)O)cc1,CI,0
CN1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C(CC(=O)O)c2cccn21,CI,0
CN1c2ccccc2N(C(=O)c2ccc(Cl)cc2)C(CC(=O)O)c2cccn21,CI,0
O=C1c2ccccc2C(=O)c2nc3c(O)cccc3cc21,CI,0
O=C1c2ccccc2C(=O)c2nc3ccc(Cl)cc3cc21,CI,0
O=CCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O,CI,0
CN(C)CCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O,CI,0
CN(C)C=Cc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O,CI,0
CC[N+]1(C)CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1.[Br-],CI,0
CC[N+]1(C)CCC(O)(c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C1.[Br-],CI,0
CC[N+]1(C)CCC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1.[Br-],CI,0
CC[N+]1(C)CCC(O)(c2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)C1.[Br-],CI,0
CC[N+]1(C)CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1.[Br-],CI,0
Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2cc(O)ccc2c1=NNC(N)=S,CI,0
O=C(Nc1ccc(Cl)cc1Cl)c1cc(=NO)c2ccc(O)cc2o1,CI,0
COC(=O)NN=c1cc(C(=O)Nc2ccc(C)c(C)c2)oc2cc(O)ccc12,CI,0
C[N+](C)(C)CC(=O)NN=c1cc(C(=O)Nc2ccc(N=O)cc2C#N)oc2cc(O)ccc12.[Cl-],CI,0
NC(=S)NN=c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc2ccccc12,CI,0
NNC(=S)NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C1C(=O)Nc2ccccc2S1=O,CI,0
CC(C)(C)NN=C(C(=O)Nc1cccc(Cl)c1)C1C(=O)Nc2ccccc2S1=O,CI,0
CC(=O)c1cccc(NC(=O)C(=NNC(=S)NN)C2C(=O)Nc3ccccc3S2=O)c1,CI,0
CCOc1ccccc1NC(=O)C(=NNC(C)(C)C)C1C(=O)Nc2ccccc2S1=O,CI,0
CCOc1ccc(NC(=O)C(=NNC(C)(C)C)C2C(=O)Nc3ccccc3S2=O)cc1,CI,0
CCCCN(CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNC(=O)c1ccncc1,CI,0
CCCCN(CCCC)CC(C(=O)Nc1ccccc1)C(C)=NNC(=O)c1ccncc1,CI,0
CCN(CC)CC(C(=O)Nc1c(C)cccc1C)C(C)=NNC(=O)c1ccncc1,CI,0
CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)c1ccncc1,CI,0
CC(CC(=O)Nc1cc(C)ccc1C)=NNC(=O)c1ccncc1,CI,0
NNC(=S)NN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
NC(=S)NN=C(C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COC(=O)NN=C(C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
Cc1ccc(NC(=O)C(=NNC(=O)C[N+](C)(C)C)c2nc3ccccc3nc2O)cc1.[Cl-],CI,0
CC(C)(C)NN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
COc1ccc(NC(=O)C(Cc2cc(=O)oc3cc(O)ccc23)=NNC(C)(C)C)c(OC)c1,CI,0
C[N+](C)(C)CC(=O)NN=C(Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccc(Cl)cc1.[Cl-],CI,0
Cc1ccc(NC(=O)C(Cc2cc(=O)oc3cc(O)ccc23)=NNC(C)(C)C)cc1C,CI,0
Cc1ccc(NC(=O)C(Cc2cc(=O)oc3cc(O)ccc23)=NNC(=O)C[N+](C)(C)C)cc1C.[Cl-],CI,0
NC(=O)NN=C(Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccccc1C(N)=O,CI,0
COC(=O)C(Cc1nc2ccccc2nc1O)C(=NNC(C)(C)C)C(=O)Nc1c(C)cc(Br)cc1C,CI,0
COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=NN)C(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)O,CI,0
COC(=O)C(Cc1nc2ccccc2nc1C)C(=NNC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1,CI,0
COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=NO)C(=O)Nc1cccc(Cl)c1C,CI,0
COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=NNC(N)=O)C(=O)Nc1ccc(Cl)cc1,CI,0
CCOc1ccc(NC(=O)C(=O)CC(=O)c2sc(NNC(C)=O)nc2C)cc1,CI,0
Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0
Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1ccccc1[N+](=O)[O-],CI,0
Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1ccc(Br)cc1,CI,0
Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C,CI,0
CCN=C(NC(=O)c1ccccc1Cl)SCSC(=NC(=O)c1ccccc1Cl)NCC,CI,0
CCN=C(NC(=O)c1ccccc1F)SCSC(=NC(=O)c1ccccc1F)NCC,CI,0
CCN=C(NC(=O)c1ccc(Cl)cc1)SCSC(=NC(=O)c1ccc(Cl)cc1)NCC,CI,0
CCN=C(NC(=O)c1ccc(F)cc1)SCSC(=NC(=O)c1ccc(F)cc1)NCC,CI,0
CCN=C(NC(=O)c1c(Cl)cccc1Cl)SCSC(=NC(=O)c1c(Cl)cccc1Cl)NCC,CI,0
O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccccc1Cl)c1ccccc1Cl,CI,0
O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccccc1F)c1ccccc1F,CI,0
O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccc(F)cc1)c1ccc(F)cc1,CI,0
O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl,CI,0
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C1NC(=S)NC1=O,CI,0
N#Cc1ccccc1NC(=O)C(=O)C1NC(=S)NC1=O,CI,0
COc1ccc(NC(=O)C(=O)C2NC(=S)NC2=O)c(OC)c1,CI,0
Cc1ccc(NC(=O)C(=O)C2NC(=S)NC2=O)c([N+](=O)[O-])c1,CI,0
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C1NC(=S)NC1=O,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(N)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1,CM,1
N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1O,CI,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(O)n2)cc1,CI,0
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(O)n2)cc1,CI,0
N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)nc1O,CI,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(S)n2)cc1,CI,0
CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(N)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(N)=O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O,CI,0
NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F,CI,0
CCC(C)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CN)C(C)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O)C(C)O)C(C)C)C(C)C,CI,0
CC12CCC(=O)N1c1ccccc1N2,CI,0
CC12CCC(=O)N1c1ccc([N+](=O)[O-])cc1N2,CI,0
CC12CCC(=O)N1c1cc([N+](=O)[O-])ccc1N2,CI,0
CC12CCC(=O)N1c1ccc(Cl)cc1N2,CI,0
CC12CCC(=O)N1c1cc(Cl)ccc1N2,CI,0
CN(C)CCCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,CI,0
CN(C)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,CI,0
CCN(CC)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,CI,0
CC(C)N(CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)C(C)C.Cl,CI,0
CC(Cn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)N(C)C,CI,0
Nc1cc(N)c(N=Nc2ccc(CCc3ccc(N=Nc4c(N)cc(N)cc4C(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(C(=O)O)c1.[NaH],CI,0
O=C(O)c1ccc(N=Nc2ccc(CCc3ccc(N=Nc4ccc(C(=O)O)cc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c1.[NaH],CA,1
O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(CCc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1
O=C(O)c1cc(N=Nc2ccc(CCc3ccc(N=Nc4cc(C(=O)O)c(O)cc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)cc1O.[NaH],CA,1
O=C(O)c1c(O)ccc(N=Nc2ccc(CCc3ccc(N=Nc4ccc(O)c(C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[NaH],CM,1
O=C(COc1ccccc1Cl)N1N=C(c2ccccc2)CC1(O)c1ccccc1,CI,0
Cc1ccc(OCC(=O)N2N=C(c3ccccc3)CC2(O)c2ccccc2)cc1,CI,0
O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1,CI,0
O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1,CI,0
COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)C(O)(c3ccc(Cl)cc3)C2)cc1,CI,0
O=C(Nc1nc(O)c2c(ncn2CCO)n1)c1ccccc1,CI,0
CS(=O)(=O)OCCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21,CI,0
O=C(Nc1nc(S)c2c(ncn2CCO)n1)c1ccccc1,CI,0
O=C(Nc1nc(O)c2c(ncn2CCI)n1)c1ccccc1,CI,0
NCCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21,CI,0
COC(=O)NC(=O)c1cn(C2CCCCC2)c(=O)[nH]c1=O,CI,0
CCOC(=O)NC(=O)c1cn(C2CCCCC2)c(=O)n(C)c1=O,CI,0
C=CCn1c(=O)c(C(=O)NC(=O)OCC)cn(C2CCCCC2)c1=O,CI,0
Cc1cn(C2CCC(CO)(CO)CC2O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CCCCC2O)c(=O)[nH]c1=O,CI,0
COC(=O)C1CC(F)(F)C1n1cnc2c(N)ncnc21,CI,0
Nc1ncnc2c1ncn2C1C(CO)CC1(F)F,CI,0
CC1(C)C(CO)C(CO)C1n1cnc2c(N)ncnc21,CI,0
Nc1ncnc2c1ncn2C1C(O)C(CO)C1CO,CI,0
Nc1ncnc2c1ncn2C1C(CO)C(CO)C1(F)F,CI,0
COC(=O)C1C(CO)C(n2cc(C)c(=O)[nH]c2=O)C1(C)C,CI,0
Cc1cn(C2C(CO)C(CO)C2(C)C)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(CO)C2O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2C(O)CC2CO)c(=O)[nH]c1=O,CI,0
Cc1cn(C2C(CO)C(CO)C2(F)F)c(=O)[nH]c1=O,CI,0
CCN(CC)c1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1.[I-],CI,0
COc1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1.[I-],CI,0
CSc1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(SC)cc3)C2=O)cc1.[I-],CI,0
C[N+]1(C)CC(=Cc2ccc(F)cc2)C(=O)C(=Cc2ccc(F)cc2)C1.[I-],CI,0
C[N+]1(C)CC(=Cc2ccc(O)cc2)C(=O)C(=Cc2ccc(O)cc2)C1.[IH2+],CI,0
CNC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
CN(N=O)C(=O)N(N)CCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
C#CCNC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
C#CCN(N=O)C(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
COS(=O)(=O)OCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
CC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)CC1C,CA,1
CC(C)=CCCC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)CC1C,CI,0
CC(C)=CCN1Cc2c(Cl)ccc3[nH]c(=S)n(c23)CC1C,CA,1
CC(C)=CCN1Cc2cc(Cl)cc3[nH]c(=S)n(c23)CC1C,CA,1
CC(C)=CCN1Cc2c(F)ccc3[nH]c(=S)n(c23)CC1C,CA,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)ccc(Cl)c34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)n1,CI,0
CN1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1.Cl,CM,1
CC(=O)N(CC1CCCN(C)C1)C12CC3CC(CC(C3)C1)C2,CI,0
CN1CCCC(CNC23CC4CC(CC(C4)C2)C3)C1,CI,0
OC1CCNCC1CNC12CC3CC(CC(C3)C1)C2,CI,0
CN1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1,CI,0
O=c1cnn2c(n1)sc1ccc3ccccc3c12,CI,0
Cc1nn2c(nc1=O)sc1ccc3ccccc3c12,CI,0
CCOC(=O)c1nn2c(nc1=O)sc1ccc3ccccc3c12,CI,0
COC(=O)Cc1nn2c(nc1=O)sc1ccc3ccccc3c12,CI,0
O=C(O)CCc1nn2c(nc1=O)sc1ccc3ccccc3c12,CI,0
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCC(=O)O)[SH+][Ni-2]23[SH+]1,CI,0
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(C)C(=O)O)[SH+][Ni-2]23[SH+]1,CI,0
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(CC(C)C)C(=O)O)[SH+][Ni-2]23[SH+]1,CI,0
CSCCC(NC1=N[N+]2=C(c3ccccc3)C=[N+]3N=C(SC)[SH+][Ni-2]32[SH+]1)C(=O)O,CI,0
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCCC(=O)O)[SH+][Ni-2]23[SH+]1,CI,0
O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12,CI,0
O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Cl)cc12,CI,0
O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Br)cc12,CI,0
O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,CI,0
COc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1,CI,0
CCCC(=O)[OH+][Co-4]12([OH+]C(=O)CCC)(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])[OH2+],CI,0
O=C(CCl)[OH+][Co-4]12([OH+]C(=O)CCl)(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])[OH2+],CI,0
O=C[OH+][Co-4]12([OH+]C=O)(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])O,CI,0
[BrH+][Co-4]12([BrH+])(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])[OH2+],CI,0
N#C[S-].N#C[SH+][Co-4]12([SH+]C#N)(NCCN1)NCCN2,CI,0
O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccccc2)CC1=Cc1ccccc1,CI,0
COc1ccc(OC(=O)N2CC(=Cc3ccccc3)C(=O)C(=Cc3ccccc3)C2)cc1,CI,0
Cc1ccc(OC(=O)N2CC(=Cc3ccccc3)C(=O)C(=Cc3ccccc3)C2)cc1,CI,0
O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)CC1=Cc1ccccc1,CI,0
O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=Cc1ccccc1,CI,0
COC(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
CCc1cccc(C(C)CC)c1NC(=O)C(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC,CI,0
COC(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC,CI,0
COC(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1C(C)C,CI,0
COc1ccc(OC)c(NC(=O)CCCC(CC(=O)c2ccc(O)c(OC)c2)=NNC(=O)C[N+](C)(C)C)c1.[Cl-],CI,0
NNC(=O)C(=O)NN=C(CCCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc(F)cc1,CI,0
Cc1ccc(NC(=O)CCCC(CC(=O)c2ccc(Br)cc2)=NNC(=O)CC#N)cc1,CI,0
O=C(CCCC(CC(=O)c1ccc(Br)cc1)=NO)Nc1ccccc1,CI,0
Cc1cccc(C)c1NC(=O)CCCC(CC(=O)c1ccc(F)cc1)=NNC(=O)C(=O)NN,CI,0
O=S(=O)(O)OCC1OC2OC3C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC6C(COS(=O)(=O)O)OC(OC7C(COS(=O)(=O)O)OC(OC8C(COS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O.[NaH],CM,1
O=S(=O)(O)OCC1OC2OC3C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC6C(COS(=O)(=O)O)OC(OC7C(COS(=O)(=O)O)OC(OC8C(COS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O,CI,0
CCSCC1OC2OC3C(CSCC)OC(OC4C(CSCC)OC(OC5C(CSCC)OC(OC6C(CSCC)OC(OC7C(CSCC)OC(OC8C(CSCC)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O,CA,1
CCCCCCCCSCC1OC2OC3C(CSCCCCCCCC)OC(OC4C(CSCCCCCCCC)OC(OC5C(CSCCCCCCCC)OC(OC6C(CSCCCCCCCC)OC(OC7C(CSCCCCCCCC)OC(OC8C(CSCCCCCCCC)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O,CA,1
O=S(=O)(O)NCC1OC2OC3C(CNS(=O)(=O)O)OC(OC4C(CNS(=O)(=O)O)OC(OC5C(CNS(=O)(=O)O)OC(OC6C(CNS(=O)(=O)O)OC(OC7C(CNS(=O)(=O)O)OC(OC8C(CNS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O,CI,0
O=C1C(=Cc2ccccc2)CCC1=Cc1ccccc1,CI,0
O=C1C(=Cc2ccc(O)cc2)CCC1=Cc1ccc(O)cc1,CI,0
O=C1C(=Cc2ccc(O)c(O)c2)CCC1=Cc1ccc(O)c(O)c1,CI,0
COc1cc(C=C2CCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O,CI,0
COc1cc(C=C2CCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0
N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccccc1,CI,0
COc1ccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)cc1OC,CI,0
COc1ccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
COc1cccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)c1,CI,0
N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F,CI,0
Cc1ccc2c(n1)C(N1CCCCC1)=CC(=O)C2=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N1CCCCC1,CI,0
CC1CCN(C2=CC(=O)C(=O)c3cccnc32)CC1,CI,0
Cc1ccc2c(n1)C(N1CCC(C)CC1)=CC(=O)C2=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N1CCC(C)CC1,CI,0
NC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1[N+](=O)[O-])C(=O)O,CI,0
CC(C)N(CC(OC(=O)OC(C)(C)C)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C,CI,0
CC(C)NCC(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1NC(=O)CCC(=O)O.Cl,CI,0
Nc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C=O,CI,0
OCCCNCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1,CI,0
O=Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CI,0
Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1,CI,0
COC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1,CI,0
O=S(=O)(c1ccccc1)n1ccc2ccccc21,CM,1
C=C(C(=O)OC)c1cc2ccccc2n1S(=O)(=O)c1ccccc1,CI,0
Clc1cc2n[se]nc2cc1Cl,CI,0
Clc1cc(Cl)c2n[se]nc2c1,CI,0
COC(=O)c1ccc2n[se]nc2c1,CI,0
Nc1ccc2n[se]nc2c1,CI,0
O=[N+]([O-])c1cc(C(F)(F)F)cc2n[se]nc12,CI,0
CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2ccccc2Br)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C1N=Nc1ccccc1C(=O)O,CI,0
C1CN2CCO[SiH](O1)OCC2,CI,0
ClC[Si]12OCCN(CCO1)CCO2,CI,0
ClC(Cl)[Si]12OCCN(CCO1)CCO2,CI,0
ClCCC[Si]12OCCN(CCO1)CCO2,CI,0
N#CCCC[Si]12OCCN(CCO1)CCO2,CI,0
O=C(CCc1n[nH]c(=S)[nH]1)Nc1cc(Cl)ccc1Cl,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)CCc1n[nH]c(=S)[nH]1,CI,0
N#CCCn1c(CCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]c1=S,CI,0
CCc1ccccc1NC(=O)CCc1n[nH]c(=S)[nH]1,CI,0
O=C(CCc1n[nH]c(=S)[nH]1)Nc1cccc(C(F)(F)F)c1,CI,0
O=C(O)CSc1nnc(-c2ccc(O)cc2)[nH]1,CI,0
O=C(O)CSc1nnc(-c2ccccc2)[nH]1,CI,0
COC(=O)CSc1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1,CI,0
O=C(O)CSc1nnc(-c2ccccc2O)[nH]1,CI,0
CCOC(=O)Nn1c(C)nnc1-c1ccccc1,CI,0
O=C(O)C1=Cc2cccc3cccc(c23)C1=O,CI,0
NC1=C(O)c2cccc3cccc(c23)C1=O,CI,0
[N-]=[N+]=NC1=CC(=O)c2cccc3cccc1c23,CI,0
[N-]=[N+]=NC1=C(N=[N+]=[N-])c2cccc3cccc(c23)C1=O,CI,0
CC(=O)C1=C(N=[N+]=[N-])c2cccc3cccc(c23)C1=O,CI,0
CC(=O)Oc1cccc2c1C(=O)C(Br)(Br)CCC2,CI,0
CN(C)CC1CCCc2ccccc2C1=O.Cl,CI,0
C[N+](C)(C)CC1CCCc2ccccc2C1=O.[I-],CI,0
O=C1CCCCc2cccc(O)c21,CI,0
CC(=O)Oc1cccc2c1C(=O)CCCC2,CI,0
Cl.O=C(O)C1Cc2c([nH]c3ccccc23)C=N1,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)C=N1.Cl,CI,0
CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21,CI,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)=NCC3,CI,0
CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl,CI,0
CCOc1ccccc1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
Cc1cccc(C)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
CCc1cccc(CC)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
Cc1cccc(C(C)(C)C)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
N#CC(C(=O)Nc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O,CI,0
CCOC(=O)C(=O)Nc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
C=CCNc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
N#CCc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
CCOC(=O)C(=O)NNc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ncsc1C2=O,CI,0
CN(C)C1(C#N)CCC2(CC1)OCCO2,CI,0
CN(C)C1CCC2(CC1)OCCO2,CI,0
COC(=O)C1CCCC2(C1)OCCO2,CI,0
ON=CC1COC2(CCCCC2)O1,CI,0
CC(C)(C)C1CCC2(OCCO2)C(O)(CCCO)C1,CI,0
COC1C=CC(O)C(CO)O1,CI,0
C=CCCCCOC1C=CC(OC(C)=O)C(COC(C)=O)O1,CI,0
C=CCCCCCCCCCOC1C=CC(OC(C)=O)C(COC(C)=O)O1,CI,0
C=CCCCCOC1C=CC(O)C(CO)O1,CI,0
C=CCCCCCCCCCOC1C=CC(O)C(CO)O1,CI,0
O=C1CCN2CCC(=O)c3cccc1c32,CI,0
CCOC(=O)c1cc2c3c(c1)C(=O)C(C)CN3CC(C)C2=O,CI,0
Cc1cc2c3c(c1)C(=O)CCN3CCC2=O,CI,0
CC(=O)c1cc2c3c(c1)C(=O)CCN3CCC2=O,CI,0
CCOC(=O)c1cc2c3c(c1)C(=O)CCN3CCC2=O,CI,0
CCOC(=O)C1=C(NC(C)(C)C)OCC1=O,CI,0
CCOC(=O)C1=C(NC)OCC1=O,CI,0
CCCCNC1=C(C(=O)OCC)C(=O)CO1,CI,0
C=CCNC1=C(C(=O)OCC)C(=O)CO1,CI,0
CCCNC1=C(C(=O)OCC)C(=O)CO1,CI,0
N#CC(C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1,CI,0
Cc1cccc(C)c1NC(=O)CCCC(=O)C(C#N)c1ccccc1,CI,0
N#CC(C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1,CI,0
Cc1cccc(C)c1NC(=O)CCCC(=O)C(C#N)c1ccc(Cl)cc1,CI,0
N#CC(C(=O)CCCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl,CI,0
O=C(CCC(=O)C(C(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1,CI,0
COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2cccc(Cl)c2)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1,CI,0
COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1,CI,0
Cc1ccc(-c2c(N)nc(NC#N)nc2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1,CI,0
Cc1ccc(NC(=O)CCc2nc(N)nc(N)c2-c2ccccc2)cc1C,CI,0
Cc1nc(N)nc(CCC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccc(Cl)cc1,CI,0
Nc1nc(N)c(-c2ccccc2)c(CCC(=O)Nc2ccc(Cl)cc2)n1,CI,0
Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1,CI,0
CCCCCCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nc(N)n1,CI,0
CCCCCCc1cc(C(=O)Nc2ccc(Cl)cc2)nc(S)n1,CI,0
CCCc1nc(NC#N)nc(C(=O)Nc2ccccc2)c1CC,CI,0
CC(C)=Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N)n1,CI,0
CCCc1nc(N)nc(C(=O)Nc2cccc(C(F)(F)F)c2)c1CC,CI,0
CC1CCCC(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O,CI,0
CC1CCC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1,CI,0
CC1CC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C(C)C1,CI,0
CC(C)(C)C1CCC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1,CI,0
O=C1CCCCC1C(O)CC1CC(=O)N(c2ccccc2)C(=O)C1,CI,0
Cc1cc2nc(N)n[n+]([O-])c2cc1C,CI,0
Cc1ccc2c(c1)nc(N)n[n+]2[O-],CI,0
CC(=O)Nc1ccc2nc(N)n[n+]([O-])c2c1,CI,0
Nc1ccc2nc(N)n[n+]([O-])c2c1,CI,0
O=C(Nc1ccc2nc(O)n[n+]([O-])c2c1)C(F)(F)F,CI,0
CCCN1CCC=C([Si](C)(C)C)C1,CI,0
CCCCCCC1C=CCCN1,CI,0
CN1CC=C(C#CC(C)(C)O)CC1.O=C(O)C(=O)O,CI,0
CCP(=O)(OC)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1,CI,0
COP(C)(=O)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1,CI,0
O=C1c2ccccc2SCC2CCCN12,CI,0
O=C1c2ccccc2SC(O)C2CCCN12,CI,0
COc1cc2c(cc1OC)C(=O)N1CCCC1CS2,CI,0
COC1Sc2ccccc2C(=O)N2CCCC12,CI,0
CC(=O)OC1Sc2ccccc2C(=O)N2CCCC12,CI,0
CSc1nc(NC(=O)c2ccccc2Cl)n[nH]1,CI,0
CSc1nc(NC(=O)c2ccccc2Br)n[nH]1,CI,0
CSc1nc(NC(=O)c2ccc(Cl)cc2)n[nH]1,CI,0
CSc1nc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1,CI,0
CSc1nc(NC(=O)c2ccccc2CS)n[nH]1,CI,0
O=C(CCl)N1CCN(c2ccccc2)CC1,CI,0
CNC(=O)OC(COC)CN1CCN(c2ccccc2C)CC1,CI,0
S=C(S)N1CCN(c2ccccc2)CC1.[NaH],CI,0
S=C(S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.[NaH],CI,0
S=C(S)N1CCN(c2cccc(Cl)c2)CC1.[NaH],CI,0
O=C(C=Cc1ccc(Cl)cc1)NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O,CI,0
O=C(C=Cc1ccccc1)NC1C=Nc2ccccc2NC1=O,CM,1
O=C(C=Cc1ccccc1)NC1C=Nc2ccc(Cl)cc2NC1=O,CI,0
O=C(C=Cc1ccccc1)NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O,CI,0
Cc1cc2c(cc1C)NC(=O)C(NC(=O)C=Cc1ccccc1)C=N2,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CCNCCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
CN(CCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCNCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CN(CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,CI,0
CN(CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O.Cl,CI,0
COc1nc2nc(OC)nc3c(Br)cc(Br)c(n1)-n-2-3,CI,0
CCCOc1nc2nc(OCCC)nc3c(Br)cc(Br)c(n1)-n-2-3,CI,0
CNc1nc2cccc3nc(C)nc(n1)-n-3-2,CI,0
Cc1nc2cccc3nc(N)nc(n1)-n-2-3,CI,0
Cc1nc2cccc3nc(NCCCN(C)C)nc(n1)-n-2-3,CI,0
COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccccn1)C(=S)N2c1ccccc1C,CI,0
Cc1ccc(N=NC2=C3Nc4ccccc4N=C2N(c2ccccn2)C(=S)N3c2ccccc2C)cc1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3)C(=Nc3ccccc3N2)N1c1ccccn1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccc(Br)cc3)C(=Nc3ccccc3N2)N1c1ccccn1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=Nc3ccccc3N2)N1c1ccccn1,CI,0
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O,CI,0
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CCC(=O)O)c1=O,CI,0
N#Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nn(CCO)c1=O,CI,0
N#Cc1c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)c(Cl)c2)nn(CCO)c1=O,CI,0
N#Cc1c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)c(Cl)c2)nn(CC(=O)O)c1=O,CI,0
CCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21,CI,0
CCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21,CI,0
CCCCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21,CI,0
CCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21,CI,0
COC(=O)NC1=Nc2ccc(Cl)cc2NS1,CI,0
O=C1CN(Cc2ccccc2)CC(=O)N2Cc3ccccc3CN12,CI,0
Cc1ccc(CN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)cc1,CI,0
COc1ccc(CN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)cc1,CI,0
O=C1CN(Cc2ccc(Cl)cc2)CC(=O)N2Cc3ccccc3CN12,CI,0
O=C1CN(Cc2cccc(Cl)c2)CC(=O)N2Cc3ccccc3CN12,CI,0
COc1ccccc1C1=NC(C)(C)CO1,CI,0
COc1cccc(C2=NC(C(C)C)CO2)c1OC,CI,0
COc1cccc(C2=NC(C(C)C)CO2)c1,CI,0
COc1cc(C2=NC(C(C)C)CO2)c(OC)c(OC)c1OC,CI,0
CC1(C)COC(c2ccccc2Br)=N1.Cl,CI,0
CCOC(=O)Nc1nc2cc(C(=O)OC)n(C)c2s1,CI,0
COC(=O)c1cc2nc(NC(C)=O)sc2n1C,CI,0
CCOC(=O)Nc1nc2cc(C(=O)OCC)n(C)c2s1,CI,0
CCOC(=O)Nc1nc2ccn(C)c2s1,CI,0
CCOC(=O)Nc1nc2c([N+](=O)[O-])c(Br)n(C)c2s1,CI,0
CCN(CC)CC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CN(CC)CC)cc(C)nc21,CI,0
CCN(CC)CCCC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CCCN(CC)CC)cc(C)nc21,CI,0
Cc1cc(O)c2ccc3c(ccc4c(O)cc(C)nc43)c2n1,CI,0
Cc1nc2c(ccc3c2ccc2c(O)c(C)c(C)nc23)c(O)c1C,CI,0
Cc1nc2c(ccc3c2ccc2c(O)c(Cl)c(C)nc23)c(O)c1Cl,CI,0
O=C(O)Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12,CI,0
CCOC(=O)Cc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12,CI,0
CCOC(=O)Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1,CI,0
O=C(O)Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1,CI,0
COc1ccc(OC)c(-c2cn3c(n2)sc2ccccc23)c1,CI,0
Cc1c2ccnc(C#N)c2c(C)c2c1[nH]c1ccccc12,CI,0
Cc1c2ccnc(C(N)=O)c2c(C)c2c1[nH]c1ccccc12,CI,0
COc1ccc2c(c1)[nH]c1c(C)c3ccncc3c(C)c12,CI,0
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(F)cc12,CI,0
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1.Cl,CI,0
Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1Cl,CI,0
Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,CI,0
c1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,CI,0
COc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,CI,0
Clc1ccccc1CN1COc2c(ccc3ccccc23)C1,CI,0
Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,CI,0
O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3,CI,0
CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3,CI,0
N#Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3,CI,0
CC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3,CI,0
C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(O)C2=O)c2ccccc21,CI,0
COC1=C(c2c[nH]c3ccc(CC=C(C)C)cc23)C(=O)C(OC)=C(c2c[nH]c3ccc(CC=C(C)C)cc23)C1=O,CI,0
C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC(C)=O)C2=O)c2ccccc21,CI,0
C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3c(CC=C(C)C)[nH]c4ccccc34)=C(O)C2=O)c2ccccc21,CI,0
CC(C)=CCc1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c(CC=C(C)C)[nH]c3ccccc23)=C(O)C1=O,CI,0
COc1cc(Cc2nnc(SC)nc2C)cc(OC)c1OC,CI,0
Nc1nnc(Cc2ccccc2[N+](=O)[O-])c(O)n1,CI,0
COc1cc(Cc2nnc(N)nc2N)cc(OC)c1OC,CI,0
COc1cc(Cc2nnc(N)nc2O)cc(OC)c1OC,CI,0
Sc1nnc(Cc2ccccc2)c(S)n1,CI,0
CC1(CO)C(O)CCC2(C)C1CCC1CC3CC12CCC3(O)CO,CI,0
CC1(CO)C(O)CCC2(C)C1CCC1CC3CC12CCC3(O)COC(=O)CN,CI,0
CC1(CO)C(O)CCC2(C)C1C(O)CC1CC3CC12CCC3(O)CO,CI,0
CC1(O)CCC23CC1CC2CCC1C(C)(CO)CCCC13C,CI,0
CC(=O)OCC1(O)CCC23CC1CC2CCC1C(C)(C)CCCC13C,CI,0
COc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)c(O)c1,CI,0
O=C(C=Cc1ccc2c(c1)OCO2)c1ccccc1,CI,0
Cc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)cc1,CI,0
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1,CI,0
O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(O)cc1,CI,0
O=C(c1ccccc1[N+](=O)[O-])C(Br)C(Br)c1ccc(Cl)c(Cl)c1,CI,0
COc1cccc(C(=O)CC(c2ccccc2)C(C)(C)[N+](=O)[O-])c1,CI,0
N#CC(C(N)=O)C(CC(=O)c1ccccc1)c1ccccc1,CI,0
Nc1ccccc1C(=O)CCc1ccccc1C(=O)O,CI,0
CONC(CC(=O)c1ccccc1)c1ccccc1,CI,0
O=C(O)C1SCCCS1,CI,0
CCCCC1(C(=O)OCC)SCCCS1,CI,0
CCC(=O)OC(C)CC1SCCCS1,CI,0
[N-]=[N+]=CC(=O)OCC1SCCCS1,CI,0
OCC(O)C(O)C(O)C(O)C1SCCCS1,CI,0
CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1ccccc1,CI,0
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1,CI,0
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc([N+](=O)[O-])cc1,CI,0
CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1,CI,0
Cc1ccc(C2NC(=S)N3C(c4ccc(C)cc4)NC(=S)N23)cc1,CI,0
Cc1cccc(C2NC(=S)N3C(c4cccc(C)c4)NC(=S)N23)c1,CI,0
S=C1NC(c2ccc(Cl)cc2)N2C(=S)NC(c3ccc(Cl)cc3)N12,CI,0
COc1cccc(C2NC(=S)N3C(c4cccc(OC)c4)NC(=S)N23)c1,CI,0
COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC,CI,0
CN(C)c1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,CI,0
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,CI,0
O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,CI,0
CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,CI,0
CCOC(=O)N(C)C1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl,CI,0
OCC1=CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
CC(O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
O=CC1=CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
COC(=O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
CC(=O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
O=C1CCC2c3[nH]c4ccccc4c3CCN12,CI,0
COC(=O)CC1CC2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O,CI,0
Cn1c2c(c3ccccc31)CCN1C(=O)CCC21,CI,0
C=C(CC)CC1CC2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O,CI,0
COC(=O)C12CCC(=O)N1C(C(=O)O)Cc1c2[nH]c2ccccc12,CI,0
COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC.O=C(O)CS(=O)(=O)O,CI,0
CC(C(=O)O)S(=O)(=O)O.CCc1c2cc(OC)c(OC)cc2cc2c3cc(OC)c(OC)cc3cc[n+]12,CI,0
COc1cc2cc3c4cc(OC)c(OC)cc4cc(C)[n+]3cc2cc1OC,CI,0
COc1cc2c[n+]3ccc4cc(OC)c(OC)cc4c3cc2cc1O,CI,0
COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4c([O-])c3c2cc1OC,CI,0
CCNC(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)NCC)c1ccc(Cl)cc1,CI,0
CCCCCCCNC(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)NCCCCCCC)c1ccc(Cl)cc1,CI,0
CCCCNCCC(SSSC(CCNCCCC)c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(=O)O,CI,0
CNC(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)NC)c1ccc(Cl)cc1,CI,0
O=S(O)Cc1ccccc1CSSSCc1ccccc1CS(=O)O,CI,0
O=C1c2ccccc2CCC1(Br)Cc1ccccc1,CI,0
CC1(C)CC(Br)(Cc2ccccc2)C(=O)c2ccccc21,CI,0
O=C1c2ccccc2CCC1(Br)C(Br)c1ccccc1,CI,0
Cc1ccccc1CC1(Br)CC(C)(C)c2ccccc2C1=O,CI,0
CC1(C)CC(Br)(C(Br)c2ccccc2)C(=O)c2ccccc21,CI,0
C=C1C(=O)OC2C=C(C)CC(O)C=C(C)CC(OC(=O)C(=CC)COC(C)=O)C12,CI,0
C=C(C)C(=O)OC1CC(CO)=CC(O)CC(C)=CC2OC(=O)C(=C)C21,CI,0
C=C1C(=O)OC2C=C(C)CC(O)C=C(CO)CC(OC(=O)C(C)=CC)C12,CI,0
C=C1C(=O)OC2C=C(C=O)CCC=C(C)C(O)CC12,CI,0
C=C1C(=O)OC2C=C(C)CCC=C(C)CC(OC(=O)C(=CCO)CO)C12,CI,0
COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O,CI,0
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,CI,0
COC1C=CC=C(C)C(=O)NC2=CC(=O)C=C(C2=O)C(OC)C(C)CC(OC)C(OC)C(C)C=C(C)C1OC(N)=O,CI,0
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCCl)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,CI,0
COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC)C2=O,CI,0
CC1(CCC#N)CCC(=N)C=C1O,CI,0
CC(=O)NC(C)(C)C1CC=C(C)C(=NO)C1,CI,0
CC1=CC(=NO)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
CC1=CC(=NNC(N)=S)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
CC1=CC(=NN(C)C)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1,CI,0
CCOC(=O)C(C)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CI,0
CCOC(=O)C(C)(c1c(C)n(C)c2ccccc12)c1c(C)n(C)c2ccccc12,CI,0
CCOC(=O)C(C)(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12,CI,0
CCOC(=O)C(C)(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12,CI,0
CCCOc1ccc2[nH]cc(C(COC)c3c[nH]c4ccc(OCCC)cc34)c2c1,CI,0
O=c1[nH]c2ncccc2c(=O)n1O,CI,0
COC(=O)c1cc(O)nc2c1c(=O)n(C)c(=O)n2C,CI,0
COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2nc1O,CI,0
Cn1c(=O)c2cc(O)cnc2n(C)c1=O,CI,0
Cc1nc2c(cc1C(=O)NN)c(=O)n(C)c(=O)n2C,CI,0
CCC(O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[NaH],CI,0
CCOC(=O)c1c(OC)cc2n(c1=O)Cc1cc3ccccc3nc1-2,CI,0
Cc1c(C(=O)O)cc2n(c1=O)Cc1cc3ccccc3nc1-2,CI,0
CCOC(=O)c1c(C(CC)C(=O)OC(C)C)cc2n(c1=O)Cc1c-2nc2ccccc2c1Cl,CI,0
COc1c2c(nc3ccccc13)-c1cc(C(CC(=O)OC(C)(C)C)C(=O)OC(C)C)c(CO)c(=O)n1C2,CI,0
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12,CI,0
COc1cc2c(cc1-c1coc3cc(OCC=C(C)C)ccc3c1=O)OCO2,CI,0
COc1cc2c(cc1-c1coc3cc(O)ccc3c1=O)OCO2,CI,0
COc1ccc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2c1,CI,0
COc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2c1,CI,0
CCOC(=O)c1c(N)sc2c1CCCC2,CI,0
CCOC(=O)c1c(N)sc2c1C(C(=O)OCC)CCC2,CI,0
CCOC(=O)C1CCCc2sc(N)c(C#N)c21,CI,0
CCOC(=O)C1(C)CCCc2sc(N)c(C#N)c21,CI,0
CCOC(=O)Nc1sc2c(c1C#N)CCCC2,CM,1
O=[N+]([O-])c1cccnc1SSc1ncccc1[N+](=O)[O-],CI,0
Clc1ccc(SSc2ccc(Cl)cn2)nc1,CI,0
O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1,CI,0
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1,CI,0
c1ccc(SSc2ccccn2)nc1,CI,0
CC(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O,CI,0
CCC(C)C(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O,CI,0
CCOC(=O)C(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O,CI,0
CC=CC(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O,CI,0
CC(C1=CC(=O)c2c(O)ccc(O)c2C1=O)C1=CC(=O)c2c(O)ccc(O)c2C1=O,CI,0
Nc1nc(N)c(CCCCc2ccccc2)c(N)n1,CI,0
Cc1nc(N)nc(N)c1CCCCc1ccccc1,CI,0
Cc1nc(N)nc(N)c1CCCCc1ccc(N)cc1.O=S(=O)(O)O,CI,0
Nc1nc(N)c(CCCCc2ccccc2)c(C=O)n1,CI,0
Nc1nc(N)c(CCCCc2ccc([N+](=O)[O-])cc2)c(N)n1,CI,0
N#CC1(C#N)C(C#N)(C#N)C12CCCCC2,CI,0
N#CC1(C#N)C(C#N)(C#N)C12CCCCC2Cl,CI,0
CCOC(=O)C(Br)C#N.CCOC(=O)C1(C#N)C(C#N)(C#N)C12CCCCC2,CI,0
CC1CCCCC12C(C#N)(C#N)C2(C#N)C#N,CI,0
CCOC(=O)C1(C)CC12CCCCC2,CI,0
COc1cc(OC)c2nc3occc3c(OC)c2c1,CI,0
COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,CI,0
Clc1cc2cc3c(Br)coc3nc2cc1Cl,CI,0
Clc1ccc2nc3occ(Br)c3cc2c1,CI,0
COc1ccc2c(OC)c3ccoc3nc2c1O,CI,0
CN(C)CCCCC1c2ccccc2Sc2ccccc21.O=C(O)C(=O)O,CI,0
CCN(CC)CC(=O)NC1c2ccccc2Sc2c(C)cccc21,CI,0
CCN(CC)CCC(=O)NC1c2ccccc2Sc2c(C)cccc21,CI,0
Cc1cccc2c1Sc1ccccc1C2NC(=O)CCN(C)C,CI,0
Cc1cccc2c1Sc1ccccc1C2NC(=O)CN(C)C,CI,0
CC1=NC(C)(CO)CO1,CI,0
COC(=O)CCC1=NCC(C)(C)O1,CI,0
COC(=O)C1(C)OC(C)=NC1(C(=O)OC)C(=O)OC,CI,0
CCOC(=O)C1(C(=O)OCC)OC(C)=NC1(C(=O)OC)C(=O)OC,CI,0
COC(=O)C1(C(=O)OC)N=C(C)OC1C(C)C,CI,0
CC(=O)OC1CC2OC3C=C(C)CCC3(C)C1(C)C21CO1,CI,0
CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2,CI,0
CC1=CC2OC3C(O)C(O)C(C)(C2(COC(=O)CCl)CC1)C31CO1,CI,0
CC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(C(=O)O)CC1,CI,0
CC(=O)OCC12CC(OC(C)=O)C(C)=CC1OC1C(O)C(O)C2(C)C12CO2,CI,0
CCC1CN2CCc3c([nH]c4ccccc34)C2CC1C(=COC)C(=O)OC,CI,0
CC1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C,CI,0
CCC1CN2CCc3c([nH]c4ccccc34)C2CC1CCO,CI,0
CCC1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C,CI,0
CC(Br)C1CCC2c3[nH]c4ccccc4c3CCN2C1,CI,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,CI,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,CI,0
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CI,0
NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1,CI,0
COc1ccc(N(C)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Clc1ccccc1CSc1ccc2nncc(SCc3ccccc3Cl)c2c1,CI,0
Clc1ccc(CSc2ccc3nncc(SCc4ccc(Cl)cc4)c3c2)cc1,CI,0
Clc1ccc(CSc2ccc3nncc(SCc4ccc(Cl)cc4Cl)c3c2)c(Cl)c1,CI,0
Clc1ccc(CSc2ccc3nncc(SCc4ccc(Cl)c(Cl)c4)c3c2)cc1Cl,CI,0
c1ccc(CSc2ccc3nncc(SCc4ccccc4)c3c2)cc1,CI,0
Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1,CA,1
CCOc1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1C(=O)Nc1ccc(C2=NCCN2)cc1,CM,1
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(F)c(C(=O)Nc2ccc(C3=NCCN3)cc2)c1,CI,0
O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1Cl,CM,1
Nc1c(C(=O)Nc2ccc(C3=NCCN3)cc2)cccc1C(=O)Nc1ccc(C2=NCCN2)cc1,CI,0
CC1(c2ccc(Cl)cc2)OCC(CCl)O1,CI,0
COC(=O)C(CCCC1(c2ccccc2)OCCO1)C(C)=O,CI,0
C=CC1(c2ccc(Cl)c(Cl)c2)OCCO1,CI,0
CCOC(=O)C1OC(c2ccccc2)OC1C(=O)OCC,CI,0
COC(=O)C1OC(C)(c2ccccc2)OC1C(=O)OC,CI,0
COCC12CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2,CI,0
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14,CI,0
COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,CI,0
COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,CI,0
COCC12CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C=O)C2,CI,0
COc1ccccc1OS(=O)(=O)c1ccc(C)cc1,CI,0
Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CM,1
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(Cl)cc1,CM,1
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccccc1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1,CM,1
COc1c2c(cc3ccc(=O)oc13)C(Cl)C(Cl)O2,CI,0
COc1c2c(c(Cl)c3ccc(=O)oc13)CCO2,CI,0
COc1c2c(cc3ccc(=O)oc13)CCO2,CI,0
COc1c2c(c(N)c3ccc(=O)oc13)CCO2,CI,0
Cc1c(C)c2cc3c(cc2oc1=O)OCC3,CI,0
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)nc4ccccc4c3O)cc2)cc1,CI,0
COc1cc(N=Nc2ccc(C(=O)N(C)C)cc2)c(C)cc1N=Nc1c(O)nc2ccccc2c1O,CI,0
COc1ccc(N=Nc2cc(OC)c(N=Nc3c(O)nc4ccccc4c3O)cc2OC)cc1,CI,0
Cc1cc(N=Nc2c(O)nc3ccccc3c2O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1,CI,0
COc1cc(N=Nc2c(O)nc3ccccc3c2O)c(OC)cc1N=Nc1ccccc1,CI,0
Nc1cccc2cn[nH]c12,CI,0
Cc1cc2c(C=O)n[nH]c2c(C#N)c1C,CI,0
Cc1cc2c(CC(=O)O)n[nH]c2c(C(=O)O)c1C,CI,0
Clc1cccc2[nH]ncc12,CI,0
O=[N+]([O-])c1ccc2[nH]ncc2c1Cl,CI,0
COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2,CI,0
COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)NCC2,CI,0
COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2,CI,0
COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2,CI,0
COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1,CI,0
CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)c([N+](=O)[O-])c1,CI,0
Cc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1,CI,0
CCN(CC)CCOc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1,CI,0
O=C1OC(C(O)CO)C(O)=C1O,CI,0
CC1OC(=O)C(O)=C1O,CI,0
COC(CC1(OC)OC(=O)C=C1N)OC,CI,0
CCCCC(C)CCCC1=C(O)C(CC(=O)O)OC1=O,CI,0
O=C(O)CC1OC(=O)C(Br)=C1O,CI,0
Nc1ccc(-c2nc3sc(-c4ccc(N)cc4)nc3s2)cc1,CI,0
COc1cc(-c2nc3sc(-c4ccc(O)c(OC)c4)nc3s2)ccc1O,CI,0
COc1ccc(-c2nc3sc(-c4ccc(OC)c(OC)c4)nc3s2)cc1OC,CI,0
c1ccc(-c2nc3sc(-c4ccccc4)nc3s2)cc1,CI,0
Oc1ccccc1-c1nc2sc(-c3ccccc3O)nc2s1,CI,0
Cc1cc(NCCCCCCNc2cc(C)nc3ccc(Cl)cc23)c2cc(Cl)ccc2n1,CI,0
Cc1cc(NCCCCCCNc2cc(C)nc3ccc(N)cc23)c2cc(N)ccc2n1,CI,0
CC(=O)O.Cc1cc(NCCCCCCNc2cc(C)nc3ccc(N)cc23)c2cc(N)ccc2n1,CI,0
Cc1cc(NCCCCCCNc2cc(C)nc3cc(N(C)C)ccc23)c2ccc(N(C)C)cc2n1,CI,0
Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1,CI,0
O=C(O)C1CSCN1,CI,0
CCOC(=O)CC1(C)SCCN1C(=O)OCC,CI,0
O=C(O)C1CSC(C(O)C(O)C(O)CO)N1,CI,0
O=C(O)C1CSC(C(O)CO)N1,CI,0
O=C(O)C1CSC(C(O)C(O)C(O)C(O)CO)N1,CI,0
Cc1ccc(NC(=S)Nc2ccc(C)cn2)nc1,CI,0
Cc1ccnc(NC(=S)Nc2cc(C)ccn2)c1,CI,0
Cc1cccc(NC(=S)Nc2cccc(C)n2)n1,CI,0
Cc1cccnc1NC(=S)Nc1ncccc1C,CI,0
S=C(Nc1ccccn1)Nc1ccccn1,CI,0
CCCC1OP(N)(=O)OCC1CC,CI,0
CCC1([N+](=O)[O-])COP(N)(=O)OC1,CI,0
CCOP1(=O)OCC(C(C)(C)C)CO1,CI,0
COP1(=O)OCC(C)(C)CO1,CI,0
COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1,CI,0
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,CI,0
Cn1c2c(c3ccccc31)CCN1CC3CCCCC3CC21,CI,0
NNC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,CI,0
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC)C1OC,CI,0
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5cccc(OC)c45)C3CC21,CI,0
Oc1ncnc2sc(Nc3ccccc3)nc12,CI,0
Nc1ncnc2sc(Nc3ccccc3)nc12,CM,1
Cc1nc(N)c2nc(Nc3ccccc3)sc2n1,CI,0
Sc1nc(S)c2nc(Nc3ccccc3)sc2n1,CI,0
CSc1nc(SC)c2nc(Nc3ccccc3)sc2n1,CI,0
Nc1c(O)nc2c(c1N)CCC2,CI,0
CC(=O)Nc1cc(O)nc2c1CCC2,CI,0
Nc1c2c(nc(O)c1N=O)CCC2,CI,0
COC(=O)c1c(C#N)c(N)nc2c1CCC2,CI,0
CCc1c(C#N)c(S)nc2c1CCC2,CM,1
CC1OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C(OC2OC(CO)C(O)C(O)C2N(C)C=N)C1(O)CO.O=S(=O)(O)O,CI,0
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=NNC(N)=S)OC(CO)C(O)C1O.O=S(=O)(O)O,CI,0
CC1OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C(OC2OC(CO)C(O)C(O)C2N(C)N=O)C1(O)C=O,CI,0
CNC1C(OC2C(OC3C(O)C(O)C(O)C(O)C3O)OC(C)C2(O)CO)OC(CO)C(O)C1O.N=C(N)N.NC(=O)O.O=S(=O)(O)O,CI,0
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CO)OC(CO)C(O)C1O.O=S(=O)(O)O,CI,0
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,CI,0
COc1ccc2c(c1[N+](=O)[O-])CCC1C2CCC2(C)C(=O)CCC12,CI,0
CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CC(Br)C2=O,CI,0
CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2=O,CI,0
CC12CCC3c4ccc(OS(N)(=O)=O)cc4CCC3C1CCC2=O,CI,0
CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)c(C)c3CC,CI,0
CCCCCc1c2ccc(n2)c(CCCCC)c2ccc([nH]2)c(CCCCC)c2ccc(n2)c(CCCCC)c2ccc1[nH]2,CI,0
CCCCCCCCCCc1c2ccc(n2)c(CCCCCCCCCC)c2ccc([nH]2)c(CCCCCCCCCC)c2ccc(n2)c(CCCCCCCCCC)c2ccc1[nH]2,CI,0
ClCCCCCc1c2ccc(n2)c(CCCCCCl)c2ccc([nH]2)c(CCCCCCl)c2ccc(n2)c(CCCCCCl)c2ccc1[nH]2,CI,0
C[N+](C)(C)CCCCCc1c2ccc(n2)c(CCCCC[N+](C)(C)C)c2ccc([nH]2)c(CCCCC[N+](C)(C)C)c2ccc(n2)c(CCCCC[N+](C)(C)C)c2ccc1[nH]2.[Cl-],CI,0
O=C1NC(=O)C(CCCCO)N1,CI,0
CC1(C)NC(=O)N(C(C)(C)C(=O)O)C1=O,CI,0
CC1(CC(O)(C(F)(F)F)C(F)(F)F)NC(=O)NC1=O,CI,0
COC(=O)C(C)N1C(=O)NC(C(C)C)C1=O,CI,0
COC(=O)C(C)NC(=O)C(CSC)N1C(=O)NC(C(C)C)C1=O,CI,0
CCCCN(CCCC)CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.O=P(O)(O)O,CI,0
COc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3,CI,0
O=C(O)c1c2c(nc3ccccc13)CCCC2,CI,0
Nc1c2c(nc3ccccc13)CCCC2.O=C(O)CCC(=O)C(=O)O,CI,0
CN(C)C=Nc1c2c(nc3ccccc13)CCCC2,CI,0
COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CCN,CI,0
NCC(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1,CI,0
O=S(=O)(O)c1ccc(Nc2ccnc3ccccc23)cc1,CI,0
O=S(=O)(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1,CI,0
Cc1cc(Nc2ccc(S(=O)(=O)O)cc2)c2ccccc2n1,CI,0
C=C(C)C1CCC2(C)OC2C1,CI,0
C=C(C)COC(=O)C1CC2OC2CC1C(=O)OCC(=C)C,CI,0
C=CCOC(=O)C1CC2OC2CC1C(=O)OCC=C,CI,0
CCOC(=O)C1CC2OC2CC1C(=O)OCC,CI,0
CCOC(=O)C1CC2OC2CC1C,CI,0
Cc1ccc(C=C2CCOC2=O)cc1,CI,0
COc1ccc(C=C2CCOC2=O)cc1OC,CI,0
CN(C)c1ccc(C=C2CCOC2=O)cc1,CI,0
O=C1OCCC1=Cc1ccc(O)cc1,CI,0
Nc1ccccc1C(O)=C1CCOC1=O,CI,0
N#CC1(c2ccccc2)CCOCC1,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)C(C(=O)OCC)C(O)(C(F)(F)F)OC1(O)C(F)(F)F,CI,0
CCOC(=O)C1C(c2ccc(F)cc2)C(C(=O)OCC)C(O)(C(F)(F)F)OC1(O)C(F)(F)F,CI,0
CCOC(=O)C1C(c2ccccc2)C(C(=O)OCC)C(O)(C(F)(F)F)OC1(O)C(F)(F)F,CI,0
COC1CC(N)(c2ccccc2)C(O)C(C)O1,CI,0
CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,CI,0
CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,CI,0
COc1cc2oc(-c3ccc(O)cc3)c(OC3OC(C)C(O)C(O)C3O)c(=O)c2c(O)c1OC,CI,0
CC1OC(Oc2c(-c3ccc(O)c(O)c3O)oc3cc(O)ccc3c2=O)C(O)C(O)C1O,CI,0
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
N=C(N)Nc1nnn[nH]1,CI,0
OCC(O)C(O)C(O)C(O)c1nnn[nH]1,CI,0
OCC(O)C(O)C(O)c1nnn[nH]1,CI,0
CCCCCC(=O)NC(=S)Nc1nnn[nH]1,CI,0
CN(C)C=Nc1nnn[nH]1,CI,0
CN(C)c1ccc(C=Cc2ccc3ccccc3[n+]2C)cc1,CI,0
COc1ccc(C=Cc2ccc3ccccc3[n+]2C)cc1OC,CI,0
COc1cc(OC)c(C=Cc2ccc3ccccc3[n+]2[O-])c(OC)c1,CI,0
CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(I)ccc21.[I-],CI,0
CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(Br)ccc21.[I-],CI,0
COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12,CI,0
C=C(C)c1ccc2c(c1)C(=O)CC1C(C)(C#N)CCCC21C,CI,0
CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)CC1C(C)(C#N)CCCC21C,CI,0
COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)C(Br)C12,CI,0
COC(=O)C1(C)CCCC2(C)c3cc(OC)ccc3C(=O)C(Cl)C12,CI,0
COC(=O)C(CNC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1,CI,0
COC(=O)C(CNC(=O)C=Cc1ccc(OC)c(OC)c1)NC(=O)C=Cc1ccc(OC)c(OC)c1,CI,0
COc1ccc(C=CC(=O)NCC(NC(=O)C=Cc2ccc(OC)c(OC)c2)C(=O)O)cc1OC,CI,0
CC(=O)Oc1ccc(C=CC(=O)NCC(NC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O,CI,0
c1ccc2c(-c3csc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1,CI,0
Brc1ccc2c(-c3csc(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1,CI,0
Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)cs3)c[nH]c2c1,CI,0
Brc1ccc2c(-c3csc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1,CI,0
O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc(Br)cc1,CM,1
O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1,CM,1
CCCCc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1,CM,1
Clc1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5Cl)nn34)nnc2s1,CI,0
Clc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(Cl)cc6)nn45)nnc3s2)cc1,CI,0
Oc1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5O)nn34)nnc2s1,CI,0
Oc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(O)cc6)nn45)nnc3s2)cc1,CM,1
CCC(C(=O)C(=O)OC)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CCC(C=O)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CCC(=COC)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CCP1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
O=c1[nH]c(=O)n(CCOc2ccccc2)cc1Nc1ccccc1,CI,0
Cc1cccc(Nc2cn(CCOc3ccccc3)c(=O)[nH]c2=O)c1,CI,0
O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Nc1ccccc1,CI,0
Cc1ccc(OCCn2cc(Nc3ccccc3)c(=O)[nH]c2=O)cc1,CI,0
Cc1ccccc1Nc1cn(COCc2ccccc2)c(=O)[nH]c1=O,CI,0
Cc1cccc(Nc2cn(COCc3ccccc3)c(=O)[nH]c2=O)c1,CI,0
Cc1ccc(Nc2cn(COCc3ccccc3)c(=O)[nH]c2=O)cc1,CI,0
O=c1[nH]c(=O)n(COCc2ccccc2)cc1Nc1ccc(Br)cc1,CI,0
Cc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,CI,0
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2C(=O)O)s1,CI,0
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1,CI,0
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(F)cc2)s1,CI,0
O=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
O=S(=O)(c1ccc(Br)cc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
Cc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1,CI,0
C=C(C)C1(O[Si](C)(C)C)CCCCC1CC(Sc1ccccc1)Sc1ccccc1,CI,0
C=C(C)C1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1,CI,0
C=CC1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1,CI,0
CC(C)(C)[Si](C)(C)OCC#CC1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1,CI,0
Cc1cn(C2CC(CCN(O)CC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CCN(O)CC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
O=c1ccn(C2OC(CN(O)CCC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3O)C(O)C2O)c(=O)[nH]1,CI,0
Cc1cn(C2CC(O)C(CN(O)CCC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)[nH]c1=O,CI,0
c1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccccc4)o3)o2)cc1,CI,0
Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1,CI,0
O=[N+]([O-])c1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc([N+](=O)[O-])cc4)o3)o2)cc1,CI,0
Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)o3)o2)c(Cl)c1,CI,0
Cc1cc(S(=O)(=O)n2ccnc2Oc2ccc(N)cc2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccc(N)cc2)cc1Cl,CI,0
Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2N)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2N)cc1Cl,CI,0
Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2)cc1Cl,CI,0
Cc1cc(S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)cc1Cl,CI,0
N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0
Cc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)c(C#N)c3n2CCC3)cc1,CI,0
COc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)c(C#N)c3n2CCC3)cc1,CI,0
N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2,CI,0
OC(c1ccccc1)C(F)(F)c1nc2ccccc2o1,CI,0
OC(c1ccc(F)cc1)C(F)(F)c1nc2ccccc2o1,CI,0
OC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc2ccccc2o1,CI,0
N#Cc1ccc(C(O)C(F)(F)c2nc3ccccc3o2)cc1,CI,0
COc1ncc(C#CC(=O)c2ccccc2)c(OC)n1,CI,0
COc1ccc(C(=O)C#Cc2cnc(OC)nc2OC)cc1,CI,0
COc1cccc(C(=O)C#Cc2cnc(OC)nc2OC)c1,CI,0
COc1ncc(C#CC(=O)c2ccccc2OC)c(OC)n1,CI,0
Nc1ncnc2c1ncn2C1COC(CO)C1CO,CI,0
COC(OC)C1OCC(n2cnc3c(N)ncnc32)C1O,CI,0
COC(OC)C1OCC(O)C1n1cnc2c(N)ncnc21,CI,0
OCC1OCC(n2cnc3c(O)ncnc32)C1O,CI,0
Nc1ncnc2ccc(Sc3ccc4ncnc(N)c4c3)cc12,CI,0
Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1,CI,0
Sc1nc(S)c2cc(Sc3ccc4nc(S)nc(S)c4c3)ccc2n1,CI,0
Nc1nc(O)c2cc(Sc3ccc4nc(N)nc(O)c4c3)ccc2n1,CI,0
COc1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1,CI,0
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1,CI,0
COc1ccc(C=CC(=O)c2nc3ccccc3n2C)cc1,CI,0
Cn1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc21,CI,0
CN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I,CI,0
COCCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I,CI,0
CN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1OS(=O)(=O)C(F)(F)F,CI,0
C[Si](C)(C)CCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I,CI,0
CCOC(=O)C1=C(C#N)S(=O)(=O)c2c(oc(C)c2C)N1,CI,0
Cc1oc2c(c1C)S(=O)(=O)C(C#N)=CN2,CI,0
CC1=C(C#N)S(=O)(=O)c2c(oc(C)c2C)N1,CI,0
Cc1oc2c(c1C)S(=O)(=O)C(C#N)=C(N(C)C)N2,CI,0
Cc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0
Cc1c(NC(=S)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C,CI,0
COc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0
CSC1=C(C(=O)Nc2ccccc2)C(=N)NC1=O,CI,0
CSC1=C(C(=O)Nc2ccc(Cl)cc2)C(=N)NC1=O,CI,0
CSC1=C(C(=O)Nc2ccc(C)cc2)C(=N)NC1=O,CI,0
COc1ccc(NC(=O)C2=C(SC)C(=O)NC2=N)cc1,CI,0
N#Cc1c(O)n(-c2ccccc2)c(=O)c2c(=N)[nH][nH]c12,CI,0
Cc1ccc(-n2c(O)c(C#N)c3[nH][nH]c(=N)c3c2=O)cc1,CM,1
CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2c(=N)[nH][nH]c12,CM,1
Cc1ccc(-n2c(N)c(C#N)c3[nH][nH]c(=N)c3c2=O)cc1,CI,0
Fc1ccccc1C=[N+]1N=C(c2ccncc2)[OH+][Ni-2]12[OH+]C(c1ccncc1)=N[N+]2=Cc1ccccc1F,CI,0
Fc1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(F)c2)c1,CI,0
FC(F)(F)c1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(C(F)(F)F)c2)c1,CI,0
FC(F)(F)c1ccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2ccc(C(F)(F)F)cc2)cc1,CI,0
Fc1ccccc1C=[N+]1N=C(c2ccncc2)[OH+][Cu-3]12[OH+]C(c1ccncc1)=N[N+]2=Cc1ccccc1F,CI,0
Fc1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(F)c2)c1,CI,0
FC(F)(F)c1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(C(F)(F)F)c2)c1,CI,0
COc1ccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2ccc(OC)c(F)c2)cc1F,CI,0
CCn1c(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2)nc2ccccc2c1=O,CI,0
CCn1c(SCC(=O)NNC(=S)Nc2ccc(F)cc2)nc2ccccc2c1=O,CI,0
CCn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2)nc2ccccc2c1=O,CI,0
CCn1c(SCC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O,CI,0
FC(F)(Sc1ncccn1)c1nc2ccccc2o1,CA,1
c1cnc(SCc2nc3ccccc3o2)nc1,CM,1
Cc1cc(C)nc(SC(F)(F)c2nc3ccccc3o2)n1,CA,1
Cc1ccnc(SC(F)(F)c2nc3ccccc3o2)n1,CA,1
COc1cc(C=C2CCC(C)C3=C2N=c2sc(=Cc4ccc(Cl)cc4)c(=O)n2C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)n1c(sc(=Cc3ccc(Cl)cc3)c1=O)=N2,CI,0
CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)n1c(sc(=Cc3cccc(Br)c3)c1=O)=N2,CI,0
COc1ccc(C=C2CCC(C)C3=C2N=c2sc(=Cc4cccc(Br)c4)c(=O)n2C3c2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1cc(C=C2CCC(C)C3=C2NC(=S)NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)NC(=S)N2,CI,0
COc1ccc(C=C2CCC(C)C3=C2NC(=S)NC3c2ccc(OC)c(OC)c2)cc1OC,CI,0
CC1CCC(=Cc2ccc(N(C)C)cc2)C2=C1C(c1ccc(N(C)C)cc1)NC(=S)N2,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)-c1ccccc1CC3,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)-c1ccccc1CC3,CI,0
Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2CC4)cc1,CI,0
COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2CC4)cc1,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCCCC3,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCCCC3,CI,0
Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCCC4)cc1,CI,0
COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCCC4)cc1,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCC3,CI,0
Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCC4)cc1,CI,0
COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCC4)cc1,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCC3,CI,0
CCOC(=O)c1nc2c(Cl)c3ncccc3cc2nc1O,CI,0
CCOC(=O)C(C)c1nc2c(Cl)c3ncccc3cc2nc1O,CI,0
CC(C)c1nc2c(Cl)c3ncccc3cc2nc1O,CI,0
CCOC(=O)C(C)c1nc2cc3cccnc3c(Cl)c2nc1O,CI,0
CCOC(=O)C(C)c1nc2cc(N3CCOCC3)c(F)cc2nc1O,CI,0
CCOC(=O)C(C)c1nc2cc(F)c(N3CCOCC3)cc2nc1O,CI,0
CCOC(=O)c1nc2cc(N3CCOCC3)c(F)cc2nc1O,CI,0
CCOC(=O)c1nc2cc(F)c(N3CCOCC3)cc2nc1O,CI,0
CSC1=NC(=Cc2ccccc2)C(=O)N1CN1CCCCC1,CI,0
COc1ccc(C=C2N=C(SC)N(CN3CCCCC3)C2=O)cc1,CI,0
CSC1=NC(=Cc2ccc(C)cc2)C(=O)N1CN1CCCCC1,CI,0
CSC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1CN1CCCCC1,CI,0
CSC1=NC(=Cc2ccccc2)C(=O)N1CN1CCOCC1,CI,0
COc1ccc(C=C2N=C(SC)N(CN3CCOCC3)C2=O)cc1,CI,0
CSC1=NC(=Cc2ccc(C)cc2)C(=O)N1CN1CCOCC1,CI,0
CSC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1CN1CCOCC1,CI,0
O=C1C(=Cc2ccccc2)NC(=S)N1CN1CCOCC1,CI,0
COc1ccc(C=C2NC(=S)N(CN3CCOCC3)C2=O)cc1,CI,0
Cc1ccc(C=C2NC(=S)N(CN3CCOCC3)C2=O)cc1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1CN1CCOCC1,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccccc1)C3,CI,0
COc1ccc(N2C=Nn3c(nc4sc(C)c(C)c4c3=O)C2)cc1,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(Cl)cc1)C3,CI,0
Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(F)cc1)C3,CI,0
COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)OC)n1,CI,0
COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)OC)n1.[Zn],CI,0
CN(C)c1cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)nc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)c1.[Zn],CI,0
CN(C)c1cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)nc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)c1,CI,0
CCSc1nc(C)nc2c1sc1nc3ccccc3n12,CI,0
Nc1ncnc2c1sc1nc3ccccc3n12,CI,0
Oc1ncnc2c1sc1nc3ccccc3n12,CI,0
Cc1nc(O)c2sc3nc4ccccc4n3c2n1,CI,0
O=C1CC(=O)NC(NN2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)=N1,CI,0
O=C1CC(=O)NC(NN2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)=N1,CI,0
O=C1CC(=O)NC(NN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)=N1,CI,0
COc1ccc(C=C2N=C(c3ccccc3)N(NC3=NC(=O)CC(=O)N3)C2=O)cc1,CI,0
O=C1CC(=O)NC(NN2C(=O)CSC2c2ccccc2)=N1,CI,0
O=C1CC(=O)NC(NN2C(=O)CSC2c2ccc(Cl)cc2)=N1,CI,0
O=C1CC(=O)NC(NN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)=N1,CI,0
COc1ccc(C2SCC(=O)N2NC2=NC(=O)CC(=O)N2)cc1,CI,0
COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2)cc1OC,CI,0
Oc1ccc2ccccc2c1C1=NNC(c2ccc(Cl)cc2)C1,CI,0
COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2C(C)=O)cc1OC,CI,0
CC(=O)N1N=C(c2c(O)ccc3ccccc23)CC1c1ccc(Cl)cc1,CI,0
COc1cccc(NC(=O)c2c(SC)c(C#N)c(=O)n(N)c2N)c1,CI,0
CSc1c(C(=O)Nc2ccc(Cl)cc2)c(N)n(N)c(=O)c1C#N,CI,0
CSc1c(C(=O)Nc2ccc(C)cc2)c(N)n(N)c(=O)c1C#N,CI,0
CSc1c(C(=O)Nc2ccccc2)c(N)n(N)c(=O)c1C#N,CI,0
COc1cccc(NC(=O)c2c(SC)[nH][nH]c2=N)c1,CI,0
CSc1[nH][nH]c(=N)c1C(=O)Nc1ccc(C)cc1,CI,0
CSc1[nH][nH]c(=N)c1C(=O)Nc1ccc(Cl)cc1,CI,0
CSc1[nH][nH]c(=N)c1C(=O)Nc1ccccc1,CI,0
O=C1C(=Cc2ccc(Cl)cc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1,CI,0
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1,CI,0
Cc1ccc(C=C2CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1,CI,0
COc1ccc(C=C2CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1,CI,0
Cc1cc(S(=O)(=O)Nc2nnc3ccc4ccccc4n23)c(S)cc1Cl,CI,0
O=S(=O)(Nc1nnc2ccc3ccccc3n12)c1ccc(Cl)cc1S,CI,0
O=S(=O)(Nc1nnc2ccc3ccccc3n12)c1ccc(F)cc1S,CI,0
Cc1cc(Cl)cc(S)c1S(=O)(=O)Nc1nnc2ccc3ccccc3n12,CI,0
O=C(O)CC1NC(C(=Cc2ccccc2O)NC(=O)c2ccccc2)OC1=O,CI,0
O=C(O)CC1NC(C(=Cc2ccccc2)NC(=O)c2ccccc2)OC1=O,CI,0
O=C(O)CCC1NC(C(=Cc2ccccc2O)NC(=O)c2ccccc2)OC1=O,CI,0
CC1NC(C(=Cc2ccccc2O)NC(=O)c2ccccc2)OC1=O,CI,0
[N-]=[N+]=N[IH2]1OC(=O)c2ccccc21,CM,1
N#C[IH2]1OC(=O)c2ccccc21,CI,0
CCC(=O)N[IH2]1OC(=O)c2ccccc21,CI,0
CC(C)(C)C#C[IH2]1OC(=O)c2ccccc21,CI,0
O=C1CC(c2cccc(Cl)c2)n2cccc21,CI,0
O=C1CC(c2cccc(Br)c2)n2cccc21,CI,0
COc1cccc(C2CC(=O)c3cccn32)c1,CI,0
O=C1CC(c2ccccc2)n2cccc21,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(N3c4ccccc4Sc4ccccc43)CC2c2ccccc2)cc1,CI,0
Cc1cccc(NC(=O)CC(=O)N2N=C(N3c4ccccc4Sc4ccccc43)CC2c2ccccc2)c1,CI,0
COc1ccccc1NC(=O)CC(=O)N1N=C(N2c3ccccc3Sc3ccccc32)CC1c1ccccc1,CI,0
O=C(CC(=O)N1N=C(N2c3ccccc3Sc3ccccc32)CC1c1ccccc1)Nc1ccccc1Cl,CI,0
N#Cc1c(-c2ccccc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=O,CI,0
COc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1,CI,0
Cc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1,CI,0
N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=O,CI,0
CC(=O)OCC1OC(Sc2nc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2nc(SC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1,CI,0
CC(=O)OCC1OC(Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1CCn2c1nc1cc([N+](=O)[O-])c(C)cc12,CI,0
CC(=O)Nc1cc2nc3n(c2cc1C)CCC3OC(C)=O,CI,0
CC(=O)Nc1c(C)cc2c(nc3n2CCC3OC(C)=O)c1[N+](=O)[O-],CI,0
CC(=O)Nc1c(C)cc2c(nc3n2CCC3O)c1[N+](=O)[O-],CI,0
CC(C)CC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-],CI,0
CC=CC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-],CI,0
CCCCCCCCCCCCCCCC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-],CI,0
CC(C)(C)C(=O)OCC1CCC[N+]2(C)CCCCC12.[I-],CI,0
CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1,CI,0
COc1ccc2oc(=N)c(C(=O)Nc3ccccc3)cc2c1,CI,0
N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1,CI,0
COc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12,CI,0
N#CC(=Cc1ccc(F)cc1)c1nc(O)c2ccccc2n1,CI,0
N#CC(=Cc1cccc(Br)c1)c1nc(O)c2ccccc2n1,CI,0
COc1ccc(C=C(C#N)c2nc(O)c3ccccc3n2)cc1,CM,1
N#CC(=Cc1ccc(Cl)cc1)c1nc(O)c2ccccc2n1,CI,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(C)=O)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O,CI,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(C)=O)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O,CI,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=C(C)C(C)C)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O,CI,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O,CI,0
C[N+]12C=CC=C1C(N1CCCC1)c1scc(-c3ccccc3)c12.[I-],CI,0
C[N+]12C=CC=C1C(N1CCCC1)c1scc(-c3ccc(F)cc3)c12.[I-],CI,0
C[N+]12C=CC=C1C(N1CCCC1)c1scc(-c3ccc(Br)cc3)c12.[I-],CI,0
COc1ccc(-c2csc3c2[N+]2(C)C=CC=C2C3N2CCCC2)cc1.[I-],CI,0
CNC1=Nc2ccccc2C(=O)N2CSCC12,CI,0
CN(C)CCNC1=Nc2ccccc2C(=O)N2CSCC12,CI,0
CCOC(=O)CNC1=Nc2ccccc2C(=O)N2CSCC12.Cl,CI,0
O=C1c2cc(Cl)ccc2N=C(NCCCl)C2CSCN12,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2ccccc21,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2cc(O)ccc21,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2ccc(O)cc21,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2cc(O)cc(O)c21,CI,0
CCC1(CC)C(=O)N(C(=O)c2ccc(C)cc2)N(C(=O)c2ccc(C)cc2)C1=O,CI,0
CCC1(CC)C(=O)N(C(=O)c2cc(OC)c(OC)c(OC)c2)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O,CI,0
CCC1(CC)C(=O)N(C(=O)c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1=O,CI,0
CCC1(CC)C(=O)N(C(=O)c2ccc(Cl)cc2)N(C(=O)c2ccccc2Cl)C1=O,CI,0
c1ccc2nn(C3CCCO3)nc2c1,CI,0
ClC(Cl)(Cl)C1CCOC1n1nc2ccccc2n1,CI,0
Cc1cc2nn(C3CCCO3)nc2cc1C,CI,0
Clc1c(Cl)c(Cl)c2nn(C3CCCO3)nc2c1Cl,CI,0
ClC(Cl)(Cl)C1CCOC1n1nnc2ccccc21,CI,0
Clc1cc2nnn(C3CCCO3)c2cc1Cl,CI,0
Cc1cc2nnn(C3CCCO3)c2cc1C,CI,0
Clc1c(Cl)c(Cl)c2c(nnn2C2CCCO2)c1Cl,CI,0
CCN1CCC(O)(c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccc(Oc3ccccc3)cc2)C1.Cl,CI,0
CCN1CCC(O)(c2ccc(Oc3ccc(F)cc3)cc2)C(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1.Cl,CI,0
CCN1CCC(O)(c2ccc(Oc3ccc(Cl)cc3)cc2)C(C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1.Cl,CI,0
CCN1CCC(O)(c2ccc(Oc3ccc(C)cc3)cc2)C(C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1.Cl,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC1c2ccsc2C(=NO)C1O,CI,0
NC(Cc1ccccc1)C(=O)NC1c2ccsc2C(=NO)C1O.O=C(O)C(F)(F)F,CI,0
CC(C)CC(N[C-](O)[B+][N+](C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC1c2ccsc2C(=NO)C1O,CI,0
CON=C1c2sccc2C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C1O,CI,0
CC1(C)CC2(C)OC(=N)C1(C#N)C2(C#N)C#N,CI,0
CCOC(=O)C1C(C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N,CI,0
CCOC(=O)C1C(C(C)C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N,CI,0
CC1CC2OC(=N)C1(C#N)C2(C#N)C#N,CI,0
N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccccc2)c1N,CI,0
COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccccc2)cc1,CI,0
COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2cccc([N+](=O)[O-])c2)cc1,CI,0
N#Cc1c(C#N)c(-c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c1N,CI,0
N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N,CI,0
Cc1ccccc1N1C(N)=C(C#N)C(C#N)(C#N)C1c1ccccc1,CI,0
Cc1ccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2ccccc2)cc1,CI,0
COc1ccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2cccc([N+](=O)[O-])c2)cc1,CI,0
Cc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(S)cc1Cl,CI,0
Cc1ccc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]c2c1,CI,0
Cc1cc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]c2cc1C,CI,0
Cn1c(NS(=O)(=O)c2ccccc2)nc2ccccc21,CI,0
COC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1,CI,0
CC(C)OC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1,CI,0
COC(=O)c1ccc(CCC2=CC(=O)C(Br)=CC2=O)cc1,CI,0
CC(C)OC(=O)c1ccc(CCC2=CC(=O)C(Br)=CC2=O)cc1,CI,0
CCOc1cc2c(cc1O)C(=NO)CC1C2CCC2(C)C(O)CCC12,CI,0
CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=NO)CC3C1CCC2O,CI,0
CCOc1cc2c(cc1O)C(=NN)CC1C2CCC2(C)C(O)CCC12,CI,0
CCOc1cc2c(cc1O)C(=NOC)CC1C2CCC2(C)C(O)CCC12,CI,0
Nc1cc2cccc[n+]2c2cccc(Cl)c12.[Cl-],CI,0
Nc1cc2cccc[n+]2c2cc(Cl)ccc12.[Cl-],CI,0
Oc1cc2cccc[n+]2c2cccc(Cl)c12.[Cl-],CI,0
Oc1cc2cccc[n+]2c2cc(Cl)ccc12.[Cl-],CI,0
O=C(CC(=O)N1N=C(N2CCCCC2)CC1c1ccccc1)Nc1ccccc1,CI,0
Cc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)CC2c2ccccc2)cc1,CI,0
COc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)CC2c2ccccc2)cc1,CI,0
O=C(CC(=O)N1N=C(N2CCCCC2)CC1c1ccccc1)Nc1ccc(Cl)cc1,CI,0
Cn1c2ccccc2n2c(=O)c(-c3ccc(O)cc3)nnc12,CI,0
Cn1c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nnc12,CI,0
COc1ccc(-c2nnc3[nH]c4ccccc4n3c2=O)cc1,CI,0
COc1ccc(-c2nnc3n(C)c4ccccc4n3c2=O)cc1,CI,0
CC(C)OC(=O)NCCn1cc(-c2ccccc2)nn1,CI,0
C=CN(C=C)C(=O)Cn1cc(-c2ccccc2)nn1,CI,0
CC(C)(C)CNC(=O)NCn1cc(-c2ccccc2)nn1,CI,0
COCCOC(=O)NCn1cc(-c2ccccc2)nn1,CI,0
O=C1c2ccccc2C(=O)N1n1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O,CI,0
O=C1c2ccccc2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0
Cc1ccc(Cc2n[nH]c(=O)n2N2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1c2ccccc2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
N#Cc1ccnc(C(=O)N2CCCC2C(=O)O)c1,CI,0
O=C(O)C1CCCN1C(=O)c1cc(Cl)ccn1,CI,0
O=C(O)C1CCCN1C(=O)c1ccccn1,CI,0
COc1ccnc(C(=O)N2CCCC2C(=O)O)c1,CI,0
N=C1C(=Cc2ccccc2)C(=O)N=C2SC=NN12,CI,0
N=C1C(=Cc2ccc(F)cc2)C(=O)N=C2SC=NN12,CI,0
CC1=NN2C(=N)C(=Cc3ccccc3)C(=O)N=C2S1,CI,0
CC1=NN2C(=N)C(=Cc3ccc(F)cc3)C(=O)N=C2S1,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(N)(=O)=O)cc4)c3c2)cc1,CM,1
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c3c2)cc1,CM,1
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(N)(=O)=O)cc4)c3c2)cc1,CI,0
COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3,CI,0
O=C(O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3,CI,0
COC(=O)C1(Cc2ccccc2)Cc2ccc3c(c2C1=O)CCC3,CI,0
COC(=O)c1cc2c(c3c1CC(Cc1ccccc1)C3=O)CCC2,CI,0
OC1c2c(ccc3c2CCC3)CC12Cc1ccccc1C2,CI,0
O=Cc1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3,CI,0
COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3,CI,0
COC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3,CI,0
COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1,CI,0
O=C1c2scc(-c3ccccc3)c2-n2cccc21,CI,0
O=C1c2scc(-c3ccc(F)cc3)c2-n2cccc21,CI,0
O=C1c2scc(-c3ccc(Cl)cc3)c2-n2cccc21,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1cc(O)c(O)c(Br)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(Br)c1,CI,0
N#CC(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1,CI,0
N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1,CI,0
Nc1nc(Cl)cc(NCC2(O)CC2)n1,CI,0
CC(O)C1CC1(CO)CNc1cc(Cl)nc(N)n1,CI,0
Nc1nc(Cl)c(N)c(NCC2(CO)CC2)n1,CI,0
Nc1nc(O)cc(NCC2(CO)CC2)n1,CI,0
N#Cc1c(N2CCCC2)nsc1Nc1ccccc1,CI,0
Br.CCOC(=O)c1c(N2CCCC2)nsc1Nc1ccccc1,CI,0
N#Cc1c(N2CCCC2)nsc1Nc1ccc(F)cc1,CI,0
CCOC(=O)c1c(N2CCCC2)nsc1Nc1ccc(F)cc1,CI,0
O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1ccccc1)CS2,CI,0
O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1ccc(Cl)cc1)CS2,CI,0
Cc1ccc(C2=Nn3c(nc4sc(-c5ccccc5)cc4c3=O)SC2)cc1,CI,0
COc1ccc(C2=Nn3c(nc4sc(-c5ccccc5)cc4c3=O)SC2)cc1,CI,0
O=C(Cn1c(=O)oc2ccc(C(=O)c3ccccc3Cl)cc21)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(Cn1c(=O)oc2ccc(C(=O)c3cccc(Cl)c3)cc21)c1ccccc1,CI,0
O=C(Cn1c(=O)oc2ccc(C(=O)c3ccc(F)cc3)cc21)c1ccccc1,CI,0
O=C(Cn1c(=O)oc2ccc(C(=O)c3ccc(F)cc3)cc21)c1ccc([N+](=O)[O-])cc1,CI,0
CC(C)(C)n1c(=O)n(C(=O)C(Cl)(Cl)Cl)n(C(=O)C(Cl)(Cl)Cl)c1=O,CI,0
CCCC(=O)n1[nH]c(=O)n(C(C)(C)C)c1=O,CI,0
CC(C)(C)n1c(=O)[nH]c(=O)n1C(C)(C)C,CI,0
CC(C)(C)n1[nH]c(=O)n(C(C)(C)C)c1=O,CI,0
Nc1ncnc2snnc12,CI,0
Nc1nc(S)nc2snnc12,CI,0
Nc1nc(O)nc2snnc12,CI,0
Nc1nc(N)c2nnsc2n1,CI,0
Cc1cc(S(=O)(=O)Nc2nnc3c4ccccc4cnn23)c(S)cc1Cl,CA,1
O=S(=O)(Nc1nnc2c3ccccc3cnn12)c1ccc(Cl)cc1S,CM,1
O=S(=O)(Nc1nnc2c3ccccc3cnn12)c1ccc(F)cc1S,CM,1
Cc1cc(Cl)cc(S)c1S(=O)(=O)Nc1nnc2c3ccccc3cnn12,CM,1
Brc1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1,CI,0
COc1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1,CI,0
Cc1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1,CI,0
O=[N+]([O-])c1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1,CI,0
COc1cc(C(c2ccc3c(c2)OCO3)N2C(=O)CCC2C(=O)O)cc(OC)c1OC,CI,0
COc1ccc(C(c2ccc3c(c2)OCO3)N2C(=O)CCC2C(=O)O)cc1,CI,0
COC(=O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1,CI,0
COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc2c(c1)OCO2,CI,0
OC1CN=C2c3ccccc3C(O)(c3ccc(Cl)cc3)N2C1,CI,0
C=CCOc1cccc(C2(O)c3ccccc3C3=NCCCN32)c1.Cl,CI,0
C=CCOc1ccccc1C1(O)c2ccccc2C2=NCCCN21.Cl,CI,0
C=CCOc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,CI,0
CCCCNC1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0
COCCN(C(C)=O)C1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0
COC(CN(C(C)=O)C1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC,CI,0
COCCNC1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0
CC(C)Cn1cnc2c(Cl)nc3ccccc3c21,CI,0
CCN(CC)CCCNc1nc2ccccc2c2c1ncn2CC(C)C,CI,0
CC(C)Cn1cnc2c(NCC(C)O)nc3ccccc3c21,CI,0
CCCCNc1nc2ccccc2c2c1ncn2CC(C)C,CI,0
COc1ccc(-c2cc(-c3cc(C)cc(Cl)c3O)nc3nc(S)nc(S)c23)cc1,CI,0
Cc1cc(Cl)c(O)c(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(N)nc(S)nc3n2)c1,CI,0
COc1cc(-c2cc(-c3cc(C)cc(Cl)c3O)nc3ncnc(N)c23)ccc1O,CI,0
Cc1cc(Cl)c(O)c(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(N)nc(O)nc3n2)c1,CI,0
O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccccc1,CI,0
O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc(Cl)cc1)c1ccccc1,CI,0
COc1ccc(N=C2[Se]C(=NC(=O)c3ccccc3)N(c3ccc(OC)cc3)C2=Nc2ccc(OC)cc2)cc1,CI,0
S=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
CN(C)c1ccc(N2C(=S)SC(=Nc3ccccc3)C2=Nc2ccccc2)cc1,CI,0
CCOC(=O)c1ccc(N=C2SC(=S)N(c3ccc(F)cc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1,CI,0
Fc1ccc(N2C(=S)SC(=Nc3ccccc3)C2=Nc2ccccc2)cc1,CI,0
CCOC(=O)c1c(SC(=O)c2ccc(OC)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SC(=O)c2cc(OC)c(OC)c(OC)c2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
N#CCSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
CC(=O)CSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
CCOC(=O)CC(=O)CSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
O=c1c(-c2ccccc2)c(SCCO)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
S=C(NCCc1ccccn1)NN=Cc1ccccn1,CI,0
CN(CCc1ccccn1)C(=S)NN=Cc1ccccn1,CI,0
Cc1cccc(C=NNC(=S)NCCc2ccccn2)n1,CI,0
Cc1cccc(C=NNC(=S)N(C)CCc2ccccn2)n1,CI,0
COC(=O)c1ccccc1CC1Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3,CI,0
CCOC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3,CI,0
O=C(O)c1c2c(cc3c1CC(Cc1ccccc1)C3=O)CCC2,CI,0
O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2)CCC4)CCC3,CI,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2,CI,0
O=C(O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2,CI,0
O=C1c2ccccc2CC12Cc1cc3c(cc1C2)CCC3,CI,0
COC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1=O)C3)CCC2,CI,0
CC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1=O)C3)CCC2,CI,0
O=C(O)c1c2c(cc3c1CC1(Cc4ccccc4C1=O)C3)CCC2,CI,0
O=C(O)c1ccccc1CC(Cc1ccc2c(c1)CCC2)C(=O)O,CI,0
COC(=O)c1ccccc1CC(Cc1ccc2c(c1)CCC2)C(=O)OC,CI,0
O=C(O)c1c(CC(Cc2ccccc2)C(=O)O)ccc2c1CCC2,CI,0
O=C(O)c1cc2c(cc1CC(Cc1ccccc1)C(=O)O)CCC2,CI,0
Cc1ccc(-n2cnc(C(=N)C#N)c2N)cc1,CI,0
N#CC(=N)c1ncn(-c2ccccc2N)c1N,CI,0
N#CC(=N)c1ncn(-c2ccc(N)cc2)c1N,CI,0
N#Cc1ncn(-c2ccccc2)c1N,CI,0
CCOP(=O)(OCC)C(C)(CC)N=C(NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1)NC(NC(C)=O)(C(F)(F)F)C(F)(F)F,CI,0
CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)O1,CI,0
CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)C(=N)NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(C(F)(F)F)C(F)(F)F)O1,CI,0
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)O1,CI,0
COc1cc2c3c(c1)SC(C)C(=O)N3CCN2,CI,0
COc1cc2c3c(c1)SCC(=O)N3CCN2,CI,0
CCC1Sc2cc(OC)cc3c2N(CCN3)C1=O,CI,0
CCCCC1Sc2cc(OC)cc3c2N(CCN3)C1=O,CI,0
C(C=NNC1=NCCCN1)=NNC1=NCCCN1.I,CI,0
CC(C=NNC1=NCCCN1)=NNC1=NCCCN1.I,CI,0
CN(N=CC=NN(C)C1=NCCCN1)C1=NCCCN1.I,CI,0
CC(C=NN(C)C1=NCCCN1)=NN(C)C1=NCCCN1.I,CI,0
C(C=NNC1=NCCCCN1)=NNC1=NCCCCN1.I,CI,0
CC(C=NNC1=NCCCCN1)=NNC1=NCCCCN1.I,CI,0
CN(N=CC=NN(C)C1=NCCCCN1)C1=NCCCCN1.I,CI,0
CC(C=NN(C)C1=NCCCCN1)=NN(C)C1=NCCCCN1.I,CI,0
I.OCCN(C1=NCCN1)[N+](=Cc1ccc(Cl)cc1)[CH-]c1ccc(Cl)cc1,CI,0
I.N#Cc1ccc(C=[N+]([CH-]c2ccc(C#N)cc2)N(CCO)C2=NCCN2)cc1,CI,0
I.OCCN(C1=NCCN1)[N+](=Cc1ccccc1O)[CH-]c1ccccc1O,CI,0
CC(=O)OCCN(C1=NCCN1)[N+](=Cc1ccc(C#N)cc1)[CH-]c1ccc(C#N)cc1.I,CI,0
Cc1ccc(-n2c(=O)c3nn4c(=O)n(-c5ccc(C)cc5)c(=O)c4nn3c2=O)cc1,CI,0
CCOc1ccc(-n2c(=O)c3nn4c(=O)n(-c5ccc(OCC)cc5)c(=O)c4nn3c2=O)cc1,CI,0
O=c1c2nn3c(=O)n(-c4ccc(Cl)cc4)c(=O)c3nn2c(=O)n1-c1ccc(Cl)cc1,CI,0
O=c1c2nn3c(=O)n(-c4ccccc4)c(=O)c3nn2c(=O)n1-c1ccccc1,CI,0
CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(C)=O,CI,0
COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
CC(C)(C)ON=Cc1cc(NC(=S)c2ccsc2)ccc1Cl,CA,1
Cc1sccc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1,CA,1
CC(C)=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl,CA,1
CC=CCSc1cc(NC(=S)c2ccsc2C)ccc1Cl,CA,1
C=C1CC(COc2ccc3ccc(=O)oc3c2)(c2ccccc2)OC1=O,CI,0
C=C1CC(COc2ccc3c(C)cc(=O)oc3c2)(c2ccccc2)OC1=O,CI,0
C=C1CC(COc2ccc3c(C)c(Cl)c(=O)oc3c2)(c2ccccc2)OC1=O,CI,0
C=C1CC(COc2ccc3c(C)c(C)c(=O)oc3c2C)(c2ccccc2)OC1=O,CI,0
C=C1CC(C)(COc2ccc3ccc(=O)oc3c2)OC1=O,CI,0
C=C1CC(C)(COc2ccc3c(C)cc(=O)oc3c2)OC1=O,CI,0
C=C1CC(C)(COc2ccc3c(C)c(Cl)c(=O)oc3c2)OC1=O,CI,0
C=C1CC(C)(COc2ccc3c(C)c(C)c(=O)oc3c2C)OC1=O,CI,0
C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,CI,0
C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(OC)cc2)OC1=O,CI,0
C=C1CC(Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,CI,0
C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(Br)cc2)OC1=O,CI,0
CNC(=S)NNc1ncnc2c1ncn2-c1ccc(C)cc1,CI,0
COc1ccc(-n2cnc3c(NCC(=O)O)ncnc32)cc1,CI,0
COc1ccc(-n2cnc3c(NC(C)(C)C(=O)O)ncnc32)cc1,CI,0
COc1ccc(-n2cnc3c(NC(CCSC)C(=O)O)ncnc32)cc1,CI,0
CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1ccc(-c2ccc(Cl)cc2)n(C2OC(CO)C(O)C(O)C2O)c1=S,CI,0
CC(=O)OCC1OC(n2c(-c3ccc(Cl)cc3)ccc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CCCC3)cc1,CI,0
CC(=O)OCC1OC(n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CCCC3)cc1,CI,0
N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2,CI,0
S=C1CC(c2ccccc2)Sc2ccc(Cl)cc2N1,CI,0
S=C1CC(c2ccccc2)Sc2cc(Cl)ccc2N1,CI,0
S=C1CC(c2ccc(Cl)cc2)Sc2ccccc2N1,CI,0
S=C1CC(c2ccccc2)Sc2ccccc2N1,CI,0
COc1cc2c(cc1OC)C1Cc3ccccc3CN1CCC2,CI,0
COc1ccc2c(c1)CCCN1Cc3ccccc3CC21,CI,0
COc1ccc2c(c1)CCCN1Cc3cc(OC)c(OC)cc3CC21,CI,0
COc1cc2c(cc1OC)CN1CCCc3cc(OC)c(OC)cc3C1C2,CI,0
CC1(C)OCC(O)C(C#N)CO1,CI,0
CC1(C)OCC(O)C(Br)CO1,CI,0
[N-]=[N+]=NCC1OCOC(CN=[N+]=[N-])C(OCCOCCCl)C1OCCOCCCl,CI,0
CC(=O)OC1C(CN=[N+]=[N-])OCOC(CN=[N+]=[N-])C1OC(C)=O,CI,0
Cc1cc(S(=O)(=O)Nc2nnc3ccccn23)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nnc3c(C(F)(F)F)cc(Cl)cn23)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nnc3cc(C(F)(F)F)cc(C)n23)c(S)cc1Cl,CM,1
O=C(O)C1C2CC3C(C2=O)C31,CI,0
COC(=O)C1C2CC3C(C2=O)C31,CI,0
COC(=O)CC1C2CC3C(C2=O)C13,CI,0
N#CCC1C2CC3C(C2=O)C13,CI,0
N#CC1(O)CCCCCCCCCCC1,CI,0
CSC1(SC)CCCCCCCCCCC1,CI,0
OC1CCCCCCCCCCC1SCCCCl,CI,0
N#CCCC1(CCC#N)CCCCCCCCC(CCC#N)(CCC#N)C(O)C1O,CI,0
Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(Cl)cc1)CC2,CI,0
Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(F)cc1)CC2,CI,0
Cc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1,CI,0
COc1cccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)c1,CI,0
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl,CI,0
C=CCN1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O,CI,0
CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl,CI,0
CNC(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.O=C(O)C=CC(=O)O,CI,0
O=C1NCN(c2ccccc2)C12CCN(CCCSc1ccc(F)cc1)CC2,CI,0
CCN1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,CI,0
COc1ccccc1C(C1=C(O)COC1=O)c1cc2c(cc1OC(C)=O)OCO2,CI,0
COC1=C(C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC)OCO3)C(=O)OC1,CI,0
O=C1OCC(O)=C1C(c1ccc(Cl)cc1)c1cc2c(cc1O)OCO2,CI,0
COc1ccc(C(C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc1OC,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCOCC1)N1CCOCC1,CI,0
O=[N+]([O-])C(Cl)=CC(=C(N1CCOCC1)N1CCOCC1)[N+](=O)[O-],CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Br)=C(N1CCOCC1)N1CCOCC1,CI,0
O=C(C(Cl)=C(N1CCOCC1)N1CCOCC1)C(Cl)Cl,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCCCC1)N1CCCCC1,CI,0
O=[N+]([O-])C(Cl)=CC(=C(N1CCCCC1)N1CCCCC1)[N+](=O)[O-],CI,0
O=C(C(Cl)=C(N1CCCCC1)N1CCCCC1)C(Cl)Cl,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Br)=C(N1CCCCC1)N1CCCCC1,CI,0
COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN)c4c32)c1,CI,0
Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3ccccc3c12.O=C(O)C=CC(=O)O,CI,0
COc1ccc2ccc3[nH]c4c(C)cnc(NCCCN(C)C)c4c3c2c1.O=C(O)C=CC(=O)O,CI,0
COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN(C)C)c4c32)c1.CS(=O)(=O)O,CI,0
Oc1ccc(C2(c3ccc(O)cc3)CCCC2)cc1,CI,0
O=C(OCC(Cl)(Cl)Cl)OC1CCCC1(c1ccccc1)c1ccccc1,CI,0
CC(=O)OC=COC1CCCC1(c1ccccc1)c1ccccc1,CI,0
CC(C)(C)C(=O)OC=COC1CCCC1(c1ccccc1)c1ccccc1,CI,0
O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21,CI,0
COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1,CI,0
O=C1c2ccccc2-c2nnc(-c3ccc(Cl)cc3)cc21,CI,0
O=C1c2ccccc2-c2nnc(-c3ccc([N+](=O)[O-])cc3)cc21,CI,0
N#Cc1[nH]c(=O)n(-c2ccccc2)c1N,CI,0
N#Cc1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1N,CI,0
COc1ccc(-n2c(N)c(C#N)[nH]c2=O)cc1,CI,0
N#Cc1[nH]c(=O)n(-c2ccc(Cl)cc2)c1N,CI,0
COc1ccc(N2C(=O)C(=O)N(C)C2=O)c2ccccc12,CI,0
CCN(CC)CCN1C(=O)C(=O)N(c2cccc3ccccc23)C1=O.Cl,CI,0
CN(C)N1C(=O)C(=O)N(c2cccc3ccccc23)C1=O,CI,0
CCOC(=O)CN1C(=O)C(=O)N(c2ccc(OC)c3ccccc23)C1=O,CI,0
Br.COc1ccc(NC2=NCCO2)c2ccccc12,CI,0
Br.CN(C1=NCCO1)c1cccc2ccccc12,CI,0
CCOc1ccc2ccccc2c1NC1=NCCO1,CI,0
Cc1ccc2ccccc2c1NC1=NCCO1,CI,0
COc1nc2ccc(CNc3ccc(C(=O)O)cc3)cc2nc1OC,CI,0
COc1cc(NCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC,CI,0
CCOC(=O)c1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)cc1,CI,0
C#CCN(Cc1ccc2nc(OC)c(OC)nc2c1)c1cc(OC)c(OC)c(OC)c1,CI,0
CC1(C)NC(=C[N+](=O)[O-])C(C)(C)N1O,CI,0
C=C1N(C=O)C(C)(C)N(O)C1(C)C,CI,0
CC1(C)NC(=CC=O)C(C)(C)N1O,CI,0
CN1C(=CN=O)C(C)(C)N(O)C1(C)C,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O,CA,1
COCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O,CM,1
CCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O,CM,1
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4O)OC(C)C(C)C3O,CI,0
Cc1cc2c(cc1Cl)SC(NN(C)C)=NS2(=O)=O,CI,0
CNNC1=NS(=O)(=O)c2cc(C)c(Cl)cc2S1,CI,0
CNNC1=NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2S1,CI,0
CNNC1=NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1,CI,0
CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4c(=O)c1c23,CI,0
CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(OC)c4c(=O)c1c23,CI,0
CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(O)c4c(=O)c1c23,CI,0
CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4c(=O)c1c23,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1c(CC)cccc1CC,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccccc1OC,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccc(Cl)cc1Cl,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccccc1,CI,0
O=S(Cc1ccccc1)C(=CNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1,CI,0
CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1,CI,0
O=S(Cc1ccccc1)C(=CNC(=S)Nc1ccccc1)c1ccccc1,CI,0
Cc1ccc(NC(=S)NC=C(c2ccccc2)S(=O)Cc2ccccc2)c(C)c1,CI,0
CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0
Cc1ccc(NC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)c(C)c1,CI,0
O=C(C(=CNC(=S)Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1,CI,0
NS(=O)(=O)c1ccc(NC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0
Cc1ccccc1NC(=O)CC(=O)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,CI,0
O=C(CC(=O)Nc1ccccc1Cl)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,CI,0
O=C(CC(=O)Nc1ccccc1)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,CI,0
COc1ccc(NC(=O)CC(=O)NNC(Sc2ccccc2)c2cc(N=Nc3ccc(Br)cc3)ccc2O)cc1,CI,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1,CI,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C(C#N)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21,CI,0
CC(=O)O.NCCN1CC2CCC(CC2)C1,CI,0
CNC(=O)NCCN1CC2CCC(CC2)C1,CI,0
CCN(CC)CCOC(=O)CCN1CC2CCC(CC2)C1,CI,0
N=C(N)NCCN1CC2CCC(CC2)C1.O=S(=O)(O)O,CM,1
CC(=O)O.NCCN1CCCCCc2ccccc21,CI,0
I.N=C(N)NCCN1CCCCCc2ccccc21,CI,0
CN(C)C(=O)NCCN1CCCCCc2ccccc21,CI,0
N#CCN1CCCCCc2ccccc21,CI,0
Clc1ccccc1C(SCc1ccccc1)SCc1ccccc1,CI,0
COc1cc(C(SCc2ccccc2)SCc2ccccc2)ccc1O,CI,0
c1ccc(CSC(SCc2ccccc2)c2ccccc2)cc1,CI,0
Clc1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1,CI,0
O=C1N=C(S(=O)(=O)O)NNC12c1ccccc1-c1ccccc12,CI,0
O=C(O)CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12,CI,0
NC(=S)SC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12,CI,0
C=CCNC(=O)NC(=O)CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12,CI,0
Cc1nc2[nH]ccn2c(=O)c1CCO,CI,0
CCOC(=O)c1cnc2[nH]ccn2c1=O,CI,0
O=C(O)c1cnc2[nH]ccn2c1=O,CI,0
Cc1nc2[nH]ccn2c(=O)c1CCCl,CI,0
CCOC(=O)C(=CNC(=S)Nc1ccc(OCC)cc1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=CNC(=S)Nc1c(CC)cccc1C(C)(C)C)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=CNC(=S)Nc1c(C)cccc1C)C(=O)c1ccccc1,CI,0
CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43,CI,0
COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCO)CCN=1,CI,0
COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCN(C)C)CCN=1,CI,0
CCN(CC)CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43,CI,0
CC(=O)C(=Cn1c(=S)sc2ccccc21)C(=O)Nc1ccccc1C,CI,0
COc1ccccc1NC(=O)C(=Cn1c(=S)sc2ccccc21)C(C)=O,CI,0
CC(=O)C(=Cn1c(=S)sc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C(=Cn1c(=S)sc2ccccc21)C(=O)Nc1ccccc1,CI,0
CC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)Nc1ccccc1,CI,0
COc1ccccc1NC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(C)=O,CI,0
COc1ccc(NC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(C)=O)cc1,CI,0
CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccccc1,CI,0
CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccc(Cl)cc1,CI,0
CC(=O)Oc1ccc2c(c1)oc1c3ccc(OC(C)=O)cc3n(C)c(=O)c21,CI,0
CCn1c(=O)c2c3ccc(O)cc3oc2c2ccc(O)cc21,CI,0
CCn1c(=O)c2c3cc(OC(C)=O)ccc3oc2c2ccc(OC(C)=O)cc21,CI,0
CCn1c(=O)c2c3cc(O)ccc3oc2c2ccc(O)cc21,CI,0
O=C1CCC2CCC1C2,CI,0
CC1(C)C2CCC(=O)C1CC2,CI,0
CC1(C)C2CCC1C(=O)C(C=O)C2,CI,0
CC1(C)C2CC(O)C1CCC2=O,CI,0
COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)nc1CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0
CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2ccc(Cl)cc2Cl)nc1CC(=O)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1CC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,CI,0
CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2cccc(C)c2C)nc1CC(=O)C(=O)Nc1cccc(C)c1C,CI,0
Br.CC1(C)CC(=O)C(=CNc2nc(-c3ccc(Br)cc3)cs2)C(=O)C1,CI,0
Br.CC1(C)CC(=O)C(=CNc2nc(-c3ccccc3)cs2)C(=O)C1,CI,0
Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1-c1ccccc1,CI,0
CC1(C)CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1.[Cl-],CI,0
CCOC(=O)c1sc(NNC2=NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)S2)nc1C,CI,0
COc1cccc(C=C2SC(NNc3nc(C)c(C)s3)=NC2=O)c1O,CI,0
COc1ccccc1C=C1SC(NNc2nc(C)c(C(C)=O)s2)=NC1=O,CI,0
COc1cccc(C=C2SC(NNc3nc(C)c(C(C)=O)s3)=NC2=O)c1O.Cl,CI,0
COc1ccccc1C=C1Sc2scc(CC(=O)Nc3ccccc3)[n+]2C1=O.[Br-],CI,0
Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)S2.[BrH2+],CI,0
O=C(Cc1csc2[n+]1C(=O)C(=Cc1ccc(Cl)cc1)S2)Nc1ccccc1.[Br-],CI,0
O=C(Cc1csc2[n+]1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)S2)Nc1ccccc1.[Br-],CI,0
O=C1CN(c2ccccc2)C(=O)CN1NCNN1CC(=O)N(c2ccccc2)CC1=O,CI,0
O=C1CN(c2cccc(Cl)c2)C(=O)CN1NCNN1CC(=O)N(c2cccc(Cl)c2)CC1=O,CI,0
O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1NCNN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O,CI,0
O=C1CN(c2ccc(Cl)cc2)C(=O)CN1NCNN1CC(=O)N(c2ccc(Cl)cc2)CC1=O,CI,0
O=C1CN(c2ccccc2)C(=O)CN1CCN1CC(=O)N(c2ccccc2)CC1=O,CI,0
O=C1CN(c2cccc(Cl)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(Cl)c2)CC1=O,CI,0
O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O,CI,0
O=C1CN(c2ccc(Cl)cc2)C(=O)CN1CCN1CC(=O)N(c2ccc(Cl)cc2)CC1=O,CI,0
O=NN1C(c2ccccc2)CC(=NO)CC1c1ccccc1,CI,0
CC1C(=NO)CC(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
CC(C)C1C(=NO)CC(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
CC1C(=NO)C(C)C(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
CCOC(=O)c1c(N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SCC#N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)CSc1c(C(=O)OCC)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
CCOC(=O)c1c(SCCO)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
OCC1OC(n2nc(-c3ccccc3)nc2-c2cnccn2)C(O)C(O)C1O,CI,0
Cc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)cc1,CI,0
COc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)cc1,CI,0
COc1cccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)c1,CI,0
COc1ccc(-c2nc(SC)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1,CI,0
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CSCCCNC(=O)c1csc(-c2c[s+]c(CCNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)[nH]2)n1,CI,0
CSCCCNC(=O)c1csc(-c2c[s+]c(CCNC(=O)CNC(=O)OC(C)(C)C)[nH]2)n1,CI,0
CSCCCNC(=O)c1csc(-c2c[s+]c(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)[nH]2)n1,CI,0
CSCCCNC(=O)c1csc(-c2c[s+]c(CCN)[nH]2)n1.Cl,CI,0
CCCC(=O)Nc1ccc(O)c2c1C1CCCCCC21,CI,0
CC(C)NC1CCCCC2c3ccccc3C12O,CI,0
CC(C)NC1CCCCC2c3cc(F)ccc3C12O.Cl,CM,1
COC1(OC)CCCCC2c3cccc(OC(C)=O)c3C21OC(C)=O,CM,1
[N-]=[N+]=Nc1cc(=O)n(-c2ccccc2)c2ccccc12,CI,0
[N-]=[N+]=Nc1c(C=O)c(=O)n(-c2ccccc2)c2ccccc12,CI,0
[N-]=[N+]=Nc1c(Cl)c(=O)n(-c2ccccc2)c2ccccc12,CI,0
[N-]=[N+]=Nc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12,CI,0
[N-]=[N+]=Nc1cc(=O)n2c3c(cccc13)CCC2,CI,0
[N-]=[N+]=Nc1c([N+](=O)[O-])c(=O)n2c3c(cccc13)CCC2,CI,0
[N-]=[N+]=Nc1c(C=O)c(=O)n2c3c(cccc13)CCC2,CI,0
CC(=O)c1c(N=[N+]=[N-])c2cccc3c2n(c1=O)CCC3,CI,0
O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccccc1,CI,0
O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1cccc(Cl)c1,CI,0
O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1,CI,0
O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-],CI,0
Nc1ncnc2c1ncn2CC1OCC(CO)O1,CI,0
Nc1nc(O)c2ncn(CC3OCC(CO)O3)c2n1,CI,0
Nc1ncnc2c1ncn2CC1OC(CO)C(CO)O1,CI,0
Nc1nc(O)c2ncn(CC3OC(CO)C(CO)O3)c2n1,CI,0
Sc1nc(S)c2nnn(-c3ccccc3)c2n1,CI,0
COc1ccccc1-n1nnc2c(N)nc(N)nc21,CI,0
COc1cccc(-n2nnc3c(N)nc(N)nc32)c1,CI,0
CCOc1ccc(-n2nnc3c(N)nc(N)nc32)cc1,CI,0
COC(=O)c1ccc(OCc2ccc3nc(OC)c(OC)nc3c2)cc1,CI,0
COc1cc(OCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC,CI,0
COc1nc2ccc(COc3ccc(C(=O)O)cc3)cc2nc1OC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(OC)c(OC)nc3c2)cc1)C(=O)OCC,CI,0
CC(=O)O.O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O,CI,0
CC(=O)O.O=C(CCN1CCCCC1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CCO)cc1C2=O,CI,0
CC(=O)O.O=C(CCN1CCC(CCO)CC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCC(CCO)CC3)cc1C2=O,CI,0
CC(=O)O.O=C(CCN1CCCCC1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CO)cc1C2=O,CI,0
Cl.O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2cn1,CI,0
Cl.O=C(NCc1ccccc1)c1cc2ccc(O)c(O)c2cn1,CI,0
O=C(NCc1ccccc1)c1cc2ccc(O)c(O)c2cn1,CI,0
O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2cn1,CI,0
Nc1ncnc2c1ncn2C1CC(CO)C(CO)C1,CI,0
Nc1nc(O)c2ncn(C3CC(CO)C(CO)C3)c2n1,CI,0
Nc1ncnc2c1ncn2C1CCC(CP(=O)(O)O)C1,CI,0
Nc1ncnc2c1ncn2C1CCC(COS(N)(=O)=O)C1,CI,0
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)NC5C)c4cc(C)cc(OC)c4c3O)c(O)c12,CA,1
CC(=O)O.COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)NC5C)c4cc(C)cc(OC)c4c3O)c(O)c12,CA,1
CC1Cc2c(-c3cc(-c4cc(-c5c(O)cc(O)c6c5CC(C)NC6C)c5ccccc5c4O)c(O)c4ccccc34)c(O)cc(O)c2C(C)N1.O=C(O)C(F)(F)F,CM,1
COc1cc(C)cc2c(-c3c(OC(C)=O)cc(OC(C)=O)c4c3CC(C)N(C(C)=O)C4C)cc(-c3cc(-c4c(OC(C)=O)cc(OC(C)=O)c5c4CC(C)N(C(C)=O)C5C)c4cc(C)cc(OC)c4c3O)c(O)c12,CI,0
CC(CCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1)C1CCC2C3CCC4CCCCC4(C)C3CCC12C.N,CM,1
CC(CCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1)C1CCC2C3CCC4CC(F)(F)CCC4(C)C3CCC12C.N,CM,1
COC(=O)c1cc(C(=CCCC(C)C2CCC3C4CCC5CCCCC5(C)C4CCC23C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
COC(=O)c1cc(C(=CCCC(C)C2CCC3C4CCC5CC(F)(F)CCC5(C)C4CCC23C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccc(C)cc1,CI,0
CC1C2C=C(O)C(=O)C(C2=O)C1c1ccccc1,CI,0
CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccccc1,CI,0
CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccc(Cl)cc1,CI,0
CCCN1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)CSC1=S,CI,0
CC(C)N1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)CSC1=S,CI,0
CCCN1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccc(O)cc2)CSC1=S,CI,0
CC(C)N1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccc(O)cc2)CSC1=S,CI,0
CCCN1CN(C(C(=O)NC2C(=O)N3C(C(=O)O)=C(C)CSC23)c2ccc(O)cc2)CSC1=S,CI,0
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(c3ccc(O)cc3)N3CSC(=S)N(C(C)C)C3)C2SC1,CI,0
CCCN1CN(C(C(=O)NC2C(=O)N3C(C(=O)O)=C(C)CSC23)c2ccccc2)CSC1=S,CI,0
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(c3ccccc3)N3CSC(=S)N(C(C)C)C3)C2SC1,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7cn6C)n5)ccc4C3CCC21C,CI,0
Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)CCC23)n1,CI,0
Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)C(O)CC23)n1,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c(SCC)n6CCC)n5)ccc4C3CCC21C,CI,0
Cn1cc2ccccc2c1-c1nc(F)nc(F)n1,CI,0
CCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1,CI,0
CCCCCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1,CI,0
Cn1cc2ccccc2c1-c1nc(N)nc(F)n1,CI,0
O=C1c2ccccc2C2C1N2C(=O)C(F)(F)F,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(=O)CCCCl,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(=O)NCCCl,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(N)=O,CI,0
O=c1cc(-c2ccccc2)oc2cc(OCCCOc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12,CI,0
O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCCOc3ccc4c(=O)cc(-c5ccc(Cl)cc5)oc4c3)ccc12,CI,0
Cc1c(OCCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2C)ccc2c(=O)cc(-c3ccccc3)oc12,CI,0
O=c1cc(-c2ccccc2)oc2cc(OCC(O)COc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12,CI,0
O=C(C=Cc1ccc(OCCCOc2ccc(C=CC(=O)c3ccccc3)cc2)cc1)c1ccccc1,CI,0
O=C(C=Cc1ccc(OCCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC,CI,0
CC(C)=CC1CCc2ccccc2N1S(=O)(=O)c1ccc(C)cc1,CI,0
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCc2cc(Cl)ccc21,CI,0
COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(Cl)ccc21,CI,0
COc1cc(CC2C(=O)OCC2C(OC(C)=O)c2ccc3c(c2)OCO3)c(Br)c(OC)c1OC,CI,0
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccccc1,CI,0
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc(O)cc1,CI,0
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1cccc(O)c1,CI,0
CN(C)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CI,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CI,0
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CI,0
CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21,CI,0
CCOC(=O)c1c2ccc(C=CC(=O)OC)ccc-2c(C(=O)OCC)c1N,CI,0
COC(=O)C=C(C(=O)OC)c1c(C)cc2c(C)cc(C)cc(C)c1-2,CI,0
COC(=O)C=C(C(=O)OC)c1c(C)c(C)c2c(C)cc(C)cc(C)c1-2,CI,0
COC(=O)C=C(C(=O)OC)c1cc(C)c2cc(C(C)C)ccc(C)c1-2,CI,0
CCOc1ccccc1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,CI,0
COc1ccccc1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,CI,0
CCc1cccc(C(C)C)c1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,CI,0
CCOc1ccc(NC(=O)C(=O)C2C(=O)Nc3ccccc3S2=O)cc1,CI,0
Clc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1SC3O2,CI,0
Fc1ccc2c(c1)SC1Oc3ccccc3-c3c1c-2nn3-c1ccccc1,CI,0
COc1cccc2c1OC1Sc3ccccc3-c3nn(-c4ccccc4)c-2c31,CI,0
Cc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1SC3O2,CI,0
COc1cccc(NC(=O)C(CC(=O)CC(c2ccccc2)c2c(O)c3ccccc3oc2=O)=NNC(C)(C)C)c1OC,CI,0
Cc1cccc(C)c1NC(=O)C(CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=NO,CI,0
Cc1cc(Cl)ccc1NC(=O)C(CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=NO,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=NO,CI,0
CCOC(OC1=C(C#N)CCCC1)C(CC)[Se]c1ccccc1,CI,0
CCOC(=O)C1=C(OC(OCC)C(CC)[Se]c2ccccc2)CCCC1,CI,0
CCOC(OC1=C(C#N)CCCC1)C(CC)[Se]c1ccccc1[N+](=O)[O-],CI,0
CCOC(OC1=C(C#N)CCCC1)C(C)[Se]c1ccccc1,CI,0
CCNC1C2C3CC4C5CC(C42)C1(C)C53,CI,0
CCCCNC1C2C3CC4C5CC(C42)C1(C)C53.Cl,CI,0
CCCC(=O)NC1C2C3CC4C5CC(C42)C1(C)C53,CI,0
CC1(O)C2C3CC4C5C3C1C(O)(C5Br)C42,CI,0
CCC1=C(CC)C1(C#N)[N+](=O)[O-],CI,0
CC1=C(C)C1[N+](=O)[O-],CI,0
CCCCC1=CC1(C#N)[N+](=O)[O-],CI,0
CCOC(=O)C1C=C1C(C)(C)O,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)n(C)c1.[NaH],CM,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)n(C)c1.[NaH],CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)ccc45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)n(C)c1.[NaH],CA,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(P(=O)(O)O)c5cc(P(=O)(O)O)ccc45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(P(=O)(O)O)c3cc(P(=O)(O)O)ccc23)n(C)c1.[NaH],CA,1
O=S1(O)=NN=C(NCc2ccc(Cl)cc2)c2ccccc21,CI,0
O=S1(O)=NN=C(NCc2ccc(F)cc2)c2ccccc21,CI,0
O=S1(O)=NN=C(NCc2ccc(Cl)c(Cl)c2)c2ccccc21,CI,0
O=[N+]([O-])c1ccc(CNC2=NN=S(=O)(O)c3ccccc32)cc1,CA,1
COc1nc2nc(C(O)C(O)CO)cnc2c(=O)n1C,CI,0
COc1nc2nccnc2c(=O)n1C,CI,0
COc1nc2ncc(C(O)C(O)CO)nc2c(=O)n1C,CI,0
COc1nc2ncc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)nc2c(=O)n1C,CI,0
CCOC(=O)C(=Cc1ccc(N(CCC#N)CCC#N)cc1C)NC(=O)C=Cc1ccccc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(N)=O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)NN,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)N=[N+]=[N-],CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(c2ccc(Cl)cc2)C1=O,CI,0
COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2C=Cc2ccccc2)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(c2ccc(C(=O)O)cc2)C1=O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C1=O,CI,0
CC1=NN2C(c3ccc(Cl)cc3)=CSC2=NC(C)(C)C1,CI,0
CC1=NN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=NC(C)(C)C1,CI,0
CC1=NN2C(c3ccc(C)cc3)=CSC2=NC(C)(C)C1,CI,0
COc1ccc(C2=CSC3=NC(C)(C)CC(C)=NN23)cc1,CI,0
Cc1ccsc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1,CA,1
C=CCOc1cc(NC(=S)c2sccc2C)ccc1Cl,CA,1
Cc1ccsc1C(=S)Nc1ccc(Cl)c(C=NOC(C)C)c1,CA,1
Cc1ccsc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1,CA,1
O=C(C=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccccc1,CI,0
O=C(C=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1OC,CI,0
O=C(C=Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC,CI,0
COc1cc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC,CI,0
CCCCOC1CC2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1,CI,0
CC(=O)OC1CC2(c3ccccc3)C(=O)c3ccccc3N2O1,CI,0
COC(=O)C1CC2(c3ccccc3)C(=O)c3ccccc3N2O1,CI,0
CC(=O)C1CC2(c3ccccc3)C(=O)c3ccccc3N2O1,CI,0
COc1cccc(N2C(=O)c3c(c4[nH]c5ccccc5c4c4ccc(C(C)(C)C)cc34)C2=O)c1,CI,0
COc1ccc(N2C(=O)c3c(c4[nH]c5ccccc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1,CI,0
COc1ccc2[nH]c3c4c(c5cc(C(C)(C)C)ccc5c3c2c1)C(=O)N(c1ccccc1)C4=O,CI,0
COc1ccc(N2C(=O)c3c(c4[nH]c5ccc(OC)cc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1,CI,0
Nc1ccc2c(SCc3ccc([N+](=O)[O-])cc3)c3ccccc3nc2c1,CI,0
COc1ccc2nc3ccc(OC)cc3c(SCc3ccccc3)c2c1,CI,0
O=[N+]([O-])c1ccc(CSc2c3ccccc3nc3ccccc23)cc1,CI,0
COc1ccc2nc3ccc(OC)cc3c(SCc3ccc([N+](=O)[O-])cc3)c2c1,CI,0
N#CC(C(=O)c1ccccc1)=C1Nc2ccccc2N1,CI,0
COc1ccc(C(=O)C=C2Nc3ccccc3N2C)cc1,CI,0
CN1C(=CC(=O)c2ccccc2)Nc2ccccc21,CI,0
CN1C(=CC(=O)c2ccc(Cl)cc2)Nc2ccccc21,CI,0
COc1ccc(-c2onc(-c3ccc([N+](=O)[O-])cc3)c2C2=NCCCN2)cc1,CI,0
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCCN2)cc1,CI,0
COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=NCCCN2)cc1,CI,0
Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCCN2)c(C)c1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)ccc(Cl)c34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)ccc(Cl)c34)cc2)n1,CI,0
Nc1c2ccccc2nc2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cccc12,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(N)c4ccccc4nc23)cc1,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1,CI,0
CCCC[Sn](CCCC)(OC(=O)Cc1ccc(F)cc1)OC(=O)Cc1ccc(F)cc1,CI,0
CCCC[Sn](CCCC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1,CI,0
CCCC[Sn](CCCC)(OC(=O)C(OC)c1ccccc1)OC(=O)C(OC)c1ccccc1,CI,0
CC[Sn](CC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1,CI,0
O=P(Nc1ccccc1)(Oc1ccccc1)N(CCCl)CCCl,CI,0
O=P(Nc1ccc(Cl)cc1)(Oc1ccccc1)N(CCCl)CCCl,CI,0
O=P(Nc1cccc(Cl)c1)(Oc1ccccc1)N(CCCl)CCCl,CI,0
Cc1ccc(NP(=O)(Oc2ccccc2)N(CCCl)CCCl)cc1,CI,0
CCOC(=O)C1Nc2ccc(Cl)cc2C2OCCC12,CI,0
CCOC(=O)C1Nc2ccc([N+](=O)[O-])cc2C2OCCC12,CI,0
CCOC(=O)C1Nc2ccccc2C2OCCC12,CI,0
CCOC(=O)C1Nc2c(cccc2[N+](=O)[O-])C2OCCC12,CI,0
COC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccccc2OC)c2ccccc2o1,CI,0
COC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccccc2Cl)c2ccccc2o1,CM,1
COC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc2o1,CI,0
NNC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccccc2Cl)c2ccccc2o1,CI,0
O=c1c(C(c2ccc(Cl)cc2)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1,CI,0
Cc1ccc(C(c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1,CI,0
COc1ccc(C(c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1,CI,0
O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1,CI,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=NNC(=O)c1ccncc1)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
O=C(Nc1cc(Cl)cc(Cl)c1)C(Cc1nc2ccccc2nc1O)=NNC(=O)c1ccncc1,CI,0
N#Cc1ccccc1NC(=O)C(=NNC(=O)c1ccncc1)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
COC(=O)C(C(=NNC(=O)c1ccncc1)C(=O)Nc1ccccc1OC)c1nc2ccc(Cl)cc2nc1O,CI,0
CC(CC(=O)Nc1ccc(Cl)cc1)=NNC(=O)C[n+]1ccccc1.[Cl-],CI,0
CC(CC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)C[n+]1ccccc1.[Cl-],CI,0
CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)C[n+]1ccccc1.[Cl-],CI,0
CC(=NNC(=O)C[n+]1ccccc1)C(CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C.[Cl-],CI,0
COc1ccc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC,CI,0
O=[N+]([O-])c1cccc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2cccc([N+](=O)[O-])c2)c1,CI,0
COc1cc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2ccc(O)c(OC)c2)ccc1O,CI,0
Cc1ccc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2ccc(C)cc2)cc1,CI,0
Cc1ccc(C2=C(c3ccccc3)C(Br)(c3ccccc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1,CI,0
Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1,CI,0
Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1,CI,0
Cc1ccc(C2=C(c3ccccc3)C(Br)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1,CI,0
O=C(NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1)c1ccncc1,CI,0
CC(O)c1ccc(C(O)C(=NNC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
O=C(NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl)c1ccncc1,CI,0
O=C(NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1Cl)c1ccncc1,CI,0
CNN=C(Cc1occc(=O)c1O)C(=O)Nc1ccccc1C,CI,0
CNN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc(C)c(C)c1,CI,0
CC(C)(C)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
COC(=O)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CNN=C(CC(=O)c1sc(NNC(C)=O)nc1C)C(=O)Nc1ccc(OC)cc1OC,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(CC(=O)c1sc(C(N)=S)nc1C)=NN,CI,0
Cc1nc(C(N)=S)sc1C(=O)CC(=NN)C(=O)Nc1ccc(Cl)cc1,CI,0
Cc1nc(C(N)=S)sc1C(=O)CC(=NN)C(=O)Nc1cccc(Cl)c1C,CI,0
CC1CC(=O)C(CC(=O)O)C1C(C(=O)C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-],CI,0
Cc1ccc(NC(=O)C(=O)C(C2C(C)CC(=O)C2CC(=O)O)[N+](=O)[O-])cc1,CI,0
Cc1ccc(C)c(NC(=O)C(=O)C(C2C(C)CC(=O)C2CC(=O)O)[N+](=O)[O-])c1,CI,0
CC1CC(=O)C(CC(=O)O)C1C(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)[N+](=O)[O-],CI,0
CC(=NNC(=O)CC(=O)Nc1ccccc1Cl)c1cc2cc(N=Nc3ccccc3Cl)ccc2oc1=O,CI,0
COc1ccc(NC(=O)CC(=O)NN=C(C)c2cc3cc(N=Nc4ccccc4Cl)ccc3oc2=O)cc1,CI,0
CCOc1ccc(N=Nc2ccc3oc(=O)c(C(C)=NNC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1,CI,0
CCOc1ccc(N=Nc2ccc3oc(=O)c(C(C)=NNC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1,CI,0
COC(=O)C(C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nc2ccc(Cl)cc2nc1O,CI,0
COC(=O)C(C(=O)C(=O)Nc1nc2ccc(OC)cc2s1)c1cnc2ccccc2n1,CI,0
CCOc1ccc2nc(NC(=O)C(=O)C(c3cnc4ccccc4n3)[N+](=O)[O-])sc2c1,CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1nc2ccc(C)cc2s1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
Cc1nc(Cl)nc2c1C(=O)Nc1ccccc1N2,CI,0
Cc1nc(NC(C)(CO)CO)nc2c1C(=O)Nc1ccccc1N2,CI,0
Cc1nc(N(CCO)CCO)nc2c1C(=O)Nc1ccccc1N2,CI,0
Cc1nc(NCCNCCO)nc2c1C(=O)Nc1ccccc1N2,CI,0
Cc1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0
Cc1ccccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0
COc1ccccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0
COc1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0
C(=CC(Sc1ccccc1)c1ccccc1)NNC1=NC(c2ccccc2)C(c2ccccc2)=NN1,CI,0
Nc1ccccc1SC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1,CI,0
Cc1ccccc1SC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1,CI,0
Clc1ccc(SC(C=CNNC2=NC(c3ccccc3)C(c3ccccc3)=NN2)c2ccccc2)cc1,CI,0
CC(=O)Nc1ccc(C=CC(=O)c2sc(-c3nc(C)c(C(=O)C=Cc4ccc(NC(C)=O)cc4)s3)nc2C)cc1,CI,0
Cc1nc(-c2nc(C)c(C(=O)C=Cc3ccc(N(C)C)cc3)s2)sc1C(=O)C=Cc1ccc(N(C)C)cc1,CI,0
Cc1ccc(C=CC(=O)c2sc(-c3nc(C)c(C(=O)C=Cc4ccc(C)cc4)s3)nc2C)cc1,CI,0
Cc1nc(-c2nc(C)c(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)s2)sc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1,CI,0
CCOc1ccc(Nc2nc(C)c(C(=O)C=Cc3ccc(Cl)cc3Cl)s2)cc1,CI,0
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(=O)C=Cc1ccc(N(C)C)cc1,CI,0
COc1cc(C=CC(=O)c2sc(Nc3ccccc3)nc2C)ccc1O,CI,0
COc1ccc(C=CC(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1,CI,0
CCOC(=O)Cc1nc(O)c2c3c(sc2n1)CCCC3,CI,0
COc1nc(C)nc2sc3c(c12)CCCC3,CI,0
CNc1nc(S)nc2sc3c(c12)CCCC3,CI,0
Cl.[N-]=[N+]=NCc1nc(N)c2c3c(sc2n1)CCCC3,CI,0
CC(=NN(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C,CI,0
CC(=NO)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C,CI,0
COC(=O)C(C(=O)C(N)=O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1,CI,0
CC(=NNC(N)=S)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C,CI,0
CSC(=NC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl.I,CI,0
CSC(=NC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N.I,CI,0
CCc1cccc(CC)c1NC(=NC(=O)c1ccc(Br)cc1)SC.I,CI,0
CSC(=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1.I,CI,0
COC(=O)C(C#N)C1NC(=O)c2ccccc21,CI,0
CCOC1NC(=O)c2ccccc21,CI,0
CC=CC(C(=O)OC)N1C(=O)c2ccccc2C1O,CI,0
CC(C)(C)N1C(=O)c2ccccc2C1(O)C(F)(F)F,CI,0
CCCN(CCC)CCc1cc(C(C)=O)n(S(=O)(=O)c2ccc(C)cc2)c1.Cl,CI,0
Cc1ccc(S(=O)(=O)n2cc(C=CC#N)c(C=CC#N)c2)cc1,CI,0
Cc1ccc(S(=O)(=O)n2cc(C#N)c(C#N)c2)cc1,CI,0
CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(=O)CC,CA,1
CC1(c2ccccc2)CC(c2cccc([N+](=O)[O-])c2)=NO1,CI,0
CC1(c2ccccc2)CC(c2ccccc2)=NO1,CI,0
Cc1ccccc1C1CC(c2ccccc2)=NO1,CI,0
COc1ccc(C2=NOC(N)(c3ccc(OC)cc3)C2)cc1,CI,0
O=C(Nc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1,CI,0
O=C(Nc1ccc(Cl)cc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccc(Cl)cc1,CA,1
O=C(Nc1ccc(I)cc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccc(I)cc1,CI,0
O=C(O)c1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1,CM,1
O=c1c2ccccc2[se]n1-c1ccccc1,CM,1
O=c1c2ccccc2[se]n1-c1ccc(Cl)cc1,CM,1
O=c1c2ccccc2[se]n1-c1ccc(I)cc1,CI,0
O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1,CM,1
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O,CI,0
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O,CI,0
CC(=O)OCC12C(OC(=O)c3ccccc3)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C3C)C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O,CI,0
CC(=O)OCC12C(OC(=O)c3ccccc3)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O,CI,0
NC(=O)NC1C(C(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CI,0
CCOC(=O)C1C(NC(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CI,0
NC(=O)NC1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CI,0
COC(=O)C1C(C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1,CI,0
COc1ccc(NC(=O)CC(=O)NN=Cc2ccc(N(CCC#N)S(C)(=O)=O)cc2)cc1,CI,0
CS(=O)(=O)N(CCC#N)c1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1,CI,0
O=C(CC(=O)Nc1ccccc1F)NN=Cc1ccccc1,CI,0
CC(=O)N(C(=O)CC(=O)NN=Cc1ccc(Br)c(N(CCC#N)CCC#N)c1)c1ccc(Cl)cc1,CI,0
CN(C)c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0
COc1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0
O=C(C(=Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cc1ccc(F)cc1)C(=O)c1ccccc1)c1ccccc1,CI,0
Cc1ccc(C2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccccc2Cl)cc1,CI,0
Cc1ccc(C2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1,CI,0
O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)CC1(O)c1ccccc1,CI,0
O=C(COc1ccc(Br)cc1Br)N1N=C(c2ccc([N+](=O)[O-])o2)CC1(O)c1ccccc1,CI,0
Clc1ccc(CNc2nc3ccccc3nc2-c2cccs2)c(Cl)c1,CI,0
COc1ccc(CNc2nc3ccccc3nc2-c2cccs2)cc1OC,CI,0
COc1cc(CNc2nc3ccccc3nc2-c2cccs2)cc(OC)c1OC,CI,0
COc1ccc(CNc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
CC1NOC(=O)C1N=Nc1ccc(Cl)cc1Cl,CI,0
CC1NOC(=O)C1N=Nc1cccc(Cl)c1,CI,0
CC1NOC(=O)C1N=Nc1ccccc1Br,CI,0
CC1NOC(=O)C1N=Nc1ccccc1Cl,CI,0
CC1OC(n2cc(F)c(=O)[nH]c2=O)C=CC1=O,CI,0
CC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C=CC1=O,CI,0
CC1OC(n2cc(I)c(=O)[nH]c2=O)C=CC1=O,CI,0
Cc1cn(C2C=CC(=O)C(C)O2)c(=O)[nH]c1=O,CI,0
O=C(O)C=CC(=O)Nc1ncn[nH]1,CI,0
CC(=O)C(N=Nc1ncn[nH]1)C(C)=O,CI,0
CCOC(=O)NC(Nc1ncn(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F,CI,0
Cc1n[nH]c(CC#N)n1,CI,0
O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1ccc(Cl)cc1,CI,0
O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1ccccc1Cl,CI,0
COc1cccc(NC(=O)CC(=O)N2N=C(n3ccc4ccccc43)CC2c2ccccc2)c1,CI,0
O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1cccc(Cl)c1,CI,0
O=C1NC(=O)C2C(=O)NC(=O)C1C2c1c(Cl)cccc1Cl,CI,0
CC1(c2ccc(Cl)cc2)C2C(=O)NC(=O)C1C(=O)NC2=O,CI,0
CC1(c2cccc(N)c2)C2C(=O)NC(=O)C1C(=O)NC2=O,CI,0
CC1(c2ccc(F)cc2)C2C(=O)NC(=O)C1C(=O)NC2=O,CI,0
O=c1cc2ccccc2nn1Cc1ccccc1,CI,0
O=c1cc2ccccc2nn1Cc1cccc(Cl)c1,CM,1
O=c1cc2ccccc2nn1Cc1ccccc1Cl,CI,0
Cc1ccccc1Cn1nc2ccccc2cc1=O,CI,0
N#CC(C(=NO)C(=NO)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
N#CC(C(=NO)C(=NO)C(C#N)c1ccccc1)c1ccccc1,CI,0
N#CC(C(=NNC(N)=S)C(=NNC(N)=S)C(C#N)c1ccccc1)c1ccccc1,CI,0
N#CC(C(=NNC(N)=S)C(=NNC(N)=S)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2ccccc2c1,CI,0
O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc2ccccc2c1,CI,0
CNC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
CN(N=O)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
C#CCNC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
C#CCN(N=O)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=S(=O)(O)c1ccc2c(N=Nc3ccc(CCc4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)O)ccc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)ccc2c1.[NaH],CM,1
Nc1ccc(N=Nc2ccc(CCc3ccc(N=Nc4ccc(N)c5cc(S(=O)(=O)O)ccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12.[NaH],CM,1
O=C(O)c1cc(N=Nc2ccc(CCc3ccc(N=Nc4cc(C(=O)O)c(O)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc2c1O.[NaH],CI,0
Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(CCc2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
Cc1c(C(=O)CC(=NNC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c(C)[n+]2[O-],CI,0
Cc1c(C(=O)CC(=NNC(=O)c2ccccc2O)C(=O)Nc2ccccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NNC(=O)c1ccccc1O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-],CI,0
N#CC(C(=O)C(=NN)C(C#N)c1ccccc1)c1ccccc1,CI,0
N#CC(C(=O)C(=NNC(N)=O)C(C#N)c1ccccc1)c1ccccc1,CI,0
N#CC(C(=O)C(=NN)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
N#CC(C(=O)C(=NNC(N)=O)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
CC1CN1c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O,CI,0
COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CC2C)cc1,CI,0
CC1CN1c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O,CI,0
CC1CN1c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O,CI,0
CCN(CC)c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O,CI,0
CCN(CC)c1c(C(=O)C=Cc2ccc(OC)cc2)c(-c2ccccc2)nn(C)c1=O,CI,0
CCN(CC)c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O,CI,0
CCN(CC)c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O,CI,0
O=[N+]([O-])c1ccc(C=Cc2csnn2)cc1,CI,0
COc1cc(C=Cc2csnn2)cc(OC)c1OC,CI,0
Cc1ccccc1C=Cc1csnn1,CI,0
Oc1ccccc1C=Cc1csnn1,CI,0
O=C(O)CSc1nnc(Cc2ccccc2)[nH]1,CI,0
CCOC(=O)Nn1c(CC#N)nnc1Cc1ccccc1,CI,0
N#CCC(=O)Nn1c(CC#N)nnc1Cc1ccccc1,CI,0
CCOC(=O)Nn1cnnc1Cc1ccccc1,CI,0
CCCCC=C(C(O)C1(C)OC(=O)N2CCCC21)[Si](C)(C)C,CI,0
CC1(CI)OC(=O)N2CCCC21,CI,0
CC1(CO[N+](=O)[O-])OC(=O)N2CCCC21,CI,0
CC1(CO)OC(=O)N2CCCC21,CI,0
CCOC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,CI,0
CC1CCC2C(C)COC3OC4(C)CCC1C32OO4,CI,0
CCCCC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,CI,0
COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(COc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1,CI,0
Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2COc2ccccc2)cc1,CI,0
COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2COc2ccccc2)cc1,CI,0
Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2COc2ccc(Cl)cc2Cl)cc1,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C3C(C(=O)Nc4ccccc4)=C(C)NC(C)=C3C(=O)Nc3ccccc3)cc2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C3C(C(=O)Nc4ccccc4C)=CNC=C3C(=O)Nc3ccccc3C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C3C(C(=O)Nc4ccccc4C)=C(C)NC(C)=C3C(=O)Nc3ccccc3C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)NC(C)=C2C(=O)Nc2ccccc2OC)cc1,CI,0
Fc1ccc(C2=NOC3COC4C=CC=CC4OCC23)cc1,CI,0
COc1ccc(C2=NOC3COC4C=CC=CC4OCC23)cc1,CI,0
Clc1cccc(C2=NOC3COC4C=CC=CC4OCC23)c1,CI,0
O=[N+]([O-])c1ccc(C2=NOC3COC4C=CC=CC4OCC23)cc1,CI,0
c1ccc2c3c([nH]c2c1)C1C2CCCCN2CN1CC3,CI,0
CCC1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0
CCCC1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0
CC(C)C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0
CC(=NNS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])n1,CI,0
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc[n+]([O-])n1,CI,0
CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc[n+]([O-])n1,CI,0
CC(=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc[n+]([O-])n1,CI,0
CC(=NNS(=O)(=O)c1ccccc1)c1cccc[n+]1[O-],CI,0
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cccc[n+]1[O-],CI,0
CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1cccc[n+]1[O-],CI,0
CC(=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc[n+]1[O-],CI,0
Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccccc1,CI,0
Cc1ccccc1-n1c(N)c(-c2nc3ccccc3[nH]2)sc1=S,CI,0
Cc1cccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)c1,CI,0
Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccc(Cl)cc1,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCCCC2)c1=O,CI,0
COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCCCC2)cc1,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCCC2)c1=O,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCCCC2)c1=O,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCCC2)c1=O,CI,0
COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCCC2)cc1,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCC2)c1=O,CM,1
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCCC2)c1=O,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCOCC2)c1=O,CI,0
COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCOCC2)cc1,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCOCC2)c1=O,CI,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCOCC2)c1=O,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)no1,CM,1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccc(Cl)cc5nc34)cc2)n1,CI,0
CC1=N[NH+]([Co-4](N)(N)(N)(N)N)N=N1.[Cl-],CI,0
N#CC1=N[NH+]([Co-4](N)(N)(N)(N)N)N=N1.[Cl-],CI,0
NC(=O)C1=N[NH+]([Co-4](N)(N)(N)(N)N)N=N1.[Cl-],CI,0
N[Co-4](N)(N)(N)(N)[NH+]1N=NC(C(=O)[O-])=N1.[Cl-],CI,0
CN(C)c1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CI,0
Cc1c(C(Cc2ccccc2N(C)C(=O)C=CC(=O)O)c2c[nH]c3ccccc23)c2ccccc2n1C,CI,0
C=CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CI,0
CC#CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12,CI,0
O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21,CI,0
Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cc(O)cc(O)c1C2=O,CI,0
O=C1c2c(O)cc(O)cc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21,CI,0
CC(=O)OC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1O,CI,0
CCC(=O)c1c(NOC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O,CI,0
CCC(=O)c1c(NOC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O,CI,0
CCCC(=O)c1c(NOC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O,CI,0
CCCC(=O)c1c(NOC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O,CI,0
C=CCN=C1N=C(C)C(C(=O)OCC)S1,CI,0
CCOC(=O)C1SC(=NC(=N)N[N+](=O)[O-])N=C1C,CI,0
CCOC(=O)CC1=NC(=NC(=N)N[N+](=O)[O-])SC1,CI,0
C=CCN=C1N=C(CC(=O)OCC)CS1,CI,0
Cc1ccccc1-c1c(N)nc(N)nc1C(=O)Nc1nccs1,CI,0
Nc1nc(S)nc(C(=O)Nc2nccs2)c1-c1ccccc1,CI,0
Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2nccs2)n1,CI,0
N#CNc1nc(N)c(-c2ccc(Cl)cc2)c(C(=O)Nc2nccs2)n1,CI,0
CCOc1ccc(N=Cc2ccc3ccccc3n2)cc1,CI,0
CCOc1ccc(N=Cc2ccc3cc(C)ccc3n2)cc1,CI,0
Cc1ccc2nc(C=Nc3ccc(Cl)cc3)cc(C)c2c1,CI,0
Cc1ccc2nc(C=Nc3ccccc3Cl)cc(C)c2c1,CI,0
c1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)cc1,CI,0
Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)c(Cl)c1,CI,0
Clc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CI,0
Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)cc1,CI,0
COc1cccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4c(OC)cccc34)c3ccccc3nc12,CI,0
COc1ccc2nc3cc(Cl)ccc3c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1,CI,0
Cl.O=C(CSc1c2ccccc2nc2ccccc12)Nc1ccccc1-c1ccccc1NC(=O)CSc1c2ccccc2nc2ccccc12,CI,0
Nc1ccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4cc(N)ccc34)c3ccccc3nc2c1,CI,0
CCCCCCCCc1cc2c(O)c(c1)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)C2,CI,0
CC(C)c1cc2c(O)c(c1)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)C2,CI,0
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2,CI,0
COc1c2cc(C(C)(C)C)cc1Cc1cccc(c1O)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cccc(c1O)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cccc(c1O)C2,CI,0
CN1N=CSC12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1,CI,0
Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C3(SC=NN3C)C2=O)cc1,CI,0
CN1N=CSC12C(=O)N(c1ccc(Cl)cc1)C(=O)N2c1ccc(Cl)cc1,CI,0
CCN1N=CSC12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1,CI,0
CN1C(=O)C(C)(C)NS1(=O)=O,CI,0
CN1C(=O)CNS1(=O)=O,CI,0
CC1NS(=O)(=O)N(C)C1=O,CI,0
O=C1CNS(=O)(=O)N1,CI,0
O=[N+]([O-])C(=C1c2ccccc2-c2ccccc21)[N+](=O)[O-],CI,0
O=[N+]([O-])C=C1c2ccccc2-c2ccccc21,CI,0
CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C(C#N)C#N,CI,0
CN(C)C(=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21)N(C)C,CI,0
COc1nc2c([nH]c(=N)n2C2OC(CO)C(O)C(O)C2O)c(=O)n1C,CI,0
COc1nc2c([nH]c(=N)n2C2OCC(O)C(O)C2O)c(=O)n1C,CI,0
CSc1nc2c([nH]c(=N)n2C2OC(CO)C(O)C(O)C2O)c(=O)n1C,CI,0
CSc1nc2c([nH]c(=N)n2C2OCC(O)C(O)C2O)c(=O)n1C,CI,0
O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1,CM,1
CC(=O)OCCOCn1c2ccccc2c2c3c(c4c5ccccc5n(COCCOC(C)=O)c4c21)C(=O)N(Cc1ccccc1)C3=O,CI,0
CC(=O)OCCOCn1c2ccccc2c2c3c(c4c5ccccc5n(COCCO)c4c21)C(=O)N(Cc1ccccc1)C3=O,CI,0
O=C1c2c(c3c4ccccc4n(COCCO)c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1,CI,0
CCOC(=O)N1N=NC2C1C1CC(C#N)(OC(C)=O)C2O1,CI,0
COC1(OC)CC2OC1C1N=NN(C(=O)OC(C)(C)C)C21,CI,0
CC(=O)OC1(C#N)CC2OC1C1N=NN(C(=O)OC(C)(C)C)C21,CI,0
CC(=O)OC1(C#N)CC2OC1C1C2N=NN1C(=O)OC(C)(C)C,CI,0
Cn1nc(-c2ccccc2)c2c(C=Cc3ccccc3)onc2c1=O,CI,0
COc1ccc(C=Cc2onc3c(=O)n(C)nc(-c4ccccc4)c23)cc1,CI,0
Cn1nc(-c2ccccc2)c2c(C=Cc3ccc(Cl)cc3)onc2c1=O,CI,0
Cn1nc(-c2ccccc2)c2c(C=Cc3ccc(F)cc3)onc2c1=O,CI,0
c1cncc(CN2CCCCC2)c1,CI,0
CC1CC(C)CN(Cc2cccnc2)C1,CI,0
CC1CCCC(C)N1Cc1cccnc1,CI,0
CC1CCN(Cc2cccnc2)CC1,CI,0
O=[N+]([O-])c1ccc(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
COc1cc(C=Cc2ccc(C=Cc3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC,CI,0
CN(C)c1ccc(C=Cc2ccc(C=Cc3ccc(N(C)C)cc3)cc2)cc1,CI,0
O=[N+]([O-])c1ccc(C(Cl)=Cc2ccc(C=C(Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0
COc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1,CI,0
O=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1,CI,0
O=C(O)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1,CI,0
CC1NC(=O)C(C)C(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
CC(C)C1NC(=O)CC(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
CC1NC(=O)CC(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
O=NN1C(c2ccccc2)CNC(=O)CC1c1ccccc1,CI,0
Cn1c2c(c3ccccc31)C1CCCCC1C1C(=O)NC(=O)C21,CI,0
COCCN1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O,CI,0
COCCCN1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O,CI,0
CCC1CCC2c3c([nH]c4ccc(C)cc34)C3C(=O)N(N(C)C)C(=O)C3C2C1,CI,0
Cc1ccccc1NC(=O)C(=NNC(=O)CC#N)C1C(=N)NN(c2ccccc2)C1=O,CI,0
Cc1ccc(NC(=O)C(=NNC(=O)CC#N)C2C(=N)NN(c3ccccc3)C2=O)cc1C,CI,0
N#CCC(=O)NN=C(C(=O)Nc1ccccc1)C1C(=N)NN(c2ccccc2)C1=O,CI,0
C[N+](C)(C)CC(=O)NN=C(C(=O)Nc1ccc(Cl)cc1)C1C(=N)NN(c2ccccc2)C1=O.[Cl-],CI,0
O=C(CCC(=O)C1CCCC1=NO)Nc1ccc(Cl)cc1,CI,0
NNC(=O)C(=O)NN=C1CCCC1C(=O)CCC(=O)Nc1cccc(Cl)c1,CI,0
Cc1cc(C)cc(NC(=O)CCC(=O)C2CCCC2=NNC(=O)C(=O)NN)c1,CI,0
NNC(=O)C(=O)NN=C1CCCC1C(=O)CCC(=O)Nc1ccc(Cl)cc1,CI,0
NC(=S)NN=C(CC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
Cc1cccc(C)c1NC(=O)C(=NNC(N)=S)C(C)C(=O)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)CC(=NNC(N)=S)C(=O)Nc2ccccc2)cc1,CI,0
CC(C(=O)c1ccc(Cl)cc1)C(=NNC(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
COc1cccc2ccc3c(c12)C(=O)OC31CCc2c(C)cccc21,CI,0
Cc1cccc2c1CCC21OC(=O)c2c1ccc1ccccc21,CI,0
Cc1cccc2c1CCC21OC(=O)c2c1cc(F)c1ccccc21,CI,0
COc1ccc(OC)c2c3c(ccc12)C1(CCc2c(C)cccc21)OC3=O,CI,0
OCC1CC2CC1C1(C2)OCCO1,CI,0
O=C(OCCO)C1CC2CC1C1(C2)OCCO1,CI,0
CC1C2CC(CC23OCC(CCl)O3)C1(C)C,CI,0
CC(C)(C)COC1C2(OCCO2)C2CCC1(C)C2(C)C,CI,0
Cc1cc2c(cc1CO)N1Cc3cc(C)c(CO)cc3N(C2)C1,CI,0
Cc1cc(C)c2c(c1C)CN1CN2Cc2c(C)c(C)cc(C)c21,CI,0
Cc1cc(C)c2c(c1)CN1CN2Cc2cc(C)cc(C)c21,CI,0
COc1cc(C)c2c(c1)CN1CN2Cc2cc(OC)cc(C)c21,CI,0
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c([N+](=O)[O-])c1,CI,0
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1,CI,0
Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1,CI,0
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccco1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1C,CI,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccco2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccco2)C(C(=O)Nc2ccc(Cl)c(Cl)c2)=C(C)N1,CI,0
CCN(CC)CCNC(=O)C1COc2ccc(-c3cc(=O)c4ccccc4o3)cc2O1,CI,0
CCOC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1,CI,0
CN(C)CCNC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1.Cl,CI,0
CCN(CC)CCCNC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1.Cl,CI,0
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc([N+](=O)[O-])cc3)sc2c1,CI,0
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(CC#N)cc3)sc2c1,CI,0
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)c(Cl)c3)sc2c1,CI,0
Cc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)cc3)sc2c1,CI,0
COC(=O)Sc1c2sc(C(=O)OC)c(C)c2n2ccccc12,CI,0
CCOC(=O)c1sc2c(C(=O)OCC)c3ccccn3c2c1C,CI,0
COC(=O)c1sc2c(SC#N)c3ccccn3c2c1C,CI,0
CCOC(=O)c1sc2c(C(=O)OCC)c3cc(C)ccn3c2c1N,CI,0
CNC(=S)NN=C1CC(c2ccccc2)Oc2ccccc21,CI,0
NN=C1CC(c2ccccc2)Oc2ccccc21,CI,0
ON=C1CC(c2ccccc2)Oc2ccccc21,CI,0
CC(=O)N(N=C1CC(c2ccccc2)Oc2ccccc21)C(C)=O,CI,0
C=C1C(C(=O)O)C1C(=O)O,CI,0
COC(=O)C(Cl)=C1CC1,CI,0
C[Si](C)(C)C#CCOC=C1CC1,CI,0
C=C1C(C(=O)OC)C1C(=O)OC,CA,1
CN=C(NC)N(C)c1nc(N(C)C)s[s+]1.[O-][Cl+3]([O-])([O-])O,CI,0
CN=C(SC)N(C)c1nc(N(C)C)s[s+]1.[O-][Cl+3]([O-])([O-])O,CI,0
CN(C)C(=Nc1nc(N(C)C)s[s+]1)N(C)C.[Br-],CI,0
CSC(=S)N(C)c1nc(N(C)C)s[s+]1.O=S(=O)([O-])F,CI,0
CN=C(N=c1ssc(=NC)n1C)N(C)C.[O-][Cl+3]([O-])([O-])O,CM,1
CN=c1ssc(=NC(SC)=[N+](C)C)n1C.[O-][Cl+3]([O-])([O-])O,CI,0
CN=c1ssc(=NC(=S)N(C)C)n1C,CI,0
CCCCn1c(=NC(=S)N(C)C)ssc1=NC(=S)N(C)C,CI,0
COc1cc(OC)c(C(=O)CC(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1OC,CI,0
CCOC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0
O=C(CC(=O)c1ccccc1O)c1ccccc1,CI,0
COc1cc(OC)cc(C(=O)CC(=O)c2cc(OC)cc(OC)c2)c1,CI,0
Cc1ccc2nc(O)c(C(C#N)c3ccccc3)nc2c1,CI,0
Oc1nc2cc(C(F)(F)F)ccc2nc1Cc1ccccc1,CI,0
Oc1nc2ccc(C(F)(F)F)cc2nc1Cc1ccccc1,CI,0
Oc1nc2cc(F)c(F)cc2nc1Cc1ccccc1,CI,0
COc1ccc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)c(OC)c1.COc1ccc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)c(OC)c1,CI,0
COc1ccccc1C1c2cc3c(cc2OC(O)(CO)C1C(=O)O)OCO3.COc1ccccc1C1c2cc3c(cc2OC2(O)COC(=O)C12)OCO3,CI,0
CC(C)(C)c1cc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)cc(C(C)(C)C)c1O,CI,0
COc1ccc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)c(OC)c1OC.COc1ccc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)c(OC)c1OC,CI,0
CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)ncn2)c1,CM,1
CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)nc(SCCN(C)C)n2)c1,CI,0
Oc1ccc(Cl)cc1-c1nc(S)nc(-c2ccccc2)c1Cl,CI,0
Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)nc(S)n1,CI,0
CCOC(=O)CC(Sc1ccccc1)Sc1ccccc1,CI,0
OCCC(Sc1ccccc1)Sc1ccccc1,CI,0
O=CCCCC(Sc1ccccc1)Sc1ccccc1,CI,0
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CI,0
CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)c(O)c2)c(O)c(O)c1-c1ccc(O)cc1,CI,0
CCOC(=O)c1cc(-c2ccc(-c3cc(C(=O)OCC)c(C#N)c(N)c3C#N)cc2)c(C#N)c(N)c1C#N,CI,0
CC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1O,CI,0
Cc1cc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CI,0
O=[N+]([O-])c1ccc(Nc2ccccc2)c2nonc12,CI,0
Cc1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12,CI,0
COc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1,CI,0
O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)c2nonc12,CI,0
Cc1cc(=O)oc2c1ccc1occc(=O)c12,CI,0
Cc1c([N+](=O)[O-])c(=O)oc2c1ccc1occc(=O)c12,CI,0
Cc1c(C)c2ccc3occc(=O)c3c2oc1=O,CI,0
O=c1ccc2ccc3occc(=O)c3c2o1,CI,0
COc1ccc(C(OCC2OC(n3ccc(NC(=O)c4ccccc4)nc3=O)C(O)C2O)(c2ccccc2)c2ccccc2)cc1,CI,0
O=C(Nc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,CI,0
O=C(Nc1ccn(C2CC(I)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,CI,0
O=C(Nc1ccn(C2CCC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,CI,0
Nc1ccc2c(c1)Oc1ccc(N)cc1O2,CI,0
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1Oc1ccccc1O2,CI,0
CN(C)CCNC(=O)c1cccc2c1Oc1cccc([N+](=O)[O-])c1O2.Cl,CI,0
CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1[N+](=O)[O-])O2.Cl,CI,0
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC.[NaH],CI,0
COc1ccc(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(O)=[OH+])ccc1OC.[NaH],CI,0
O=C(Nc1ccccc1)c1nn(-c2cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc2Cl)[n+](-c2cc(S(=O)(=O)O)c([N+](=O)[O-])cc2Cl)n1.[NaH],CM,1
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-[n+]1nc(C(=O)Nc2ccccc2)nn1-c1ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c1.[NaH],CI,0
COc1ccccc1C1(c2ccccc2OC)OC(=O)c2ccccc21,CI,0
CC(=O)Oc1ccc(C2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(C)c1,CI,0
Cc1ccc(C2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(O)c1,CI,0
Cc1cc(O)ccc1C1(c2ccc(F)cc2)OC(=O)c2ccccc21,CI,0
COC1OC(C(C)Br)C2OC(C)(C)OC12,CI,0
CC(O)C1OC(O)C2OC(C)(C)OC12,CI,0
COC1OC(C(C)O)C2OC(C)(C)OC12,CI,0
COC1OC(C(=O)O)C2OC(C)(C)OC12,CI,0
Nc1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O,CI,0
CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O,CI,0
CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O,CI,0
COc1cc2c(cc1OC)C13CC(=O)N(C(C)=O)N1CCCN3C2=O,CI,0
CC(=O)N1C(=O)CC23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13,CI,0
CCC(=O)N1C(=O)C(C)C23c4cc(OC)c(OC)cc4C(=O)N2CCCN13,CI,0
CCC(=O)N1C(=O)C(C)C23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13,CI,0
[BH2-]1n2ccc[n+]2[BH2-]n2ccc[n+]21,CI,0
Brc1cn2[n+](c1)[BH2-]n1cc(Br)c[n+]1[BH2-]2,CI,0
C[B-]1(C)n2ccc[n+]2[B-](C)(C)n2ccc[n+]21,CI,0
C[B-]1(C)n2cc(Br)c[n+]2[B-](C)(C)n2cc(Br)c[n+]21,CI,0
S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccccc2)N1c1ccc(Cl)cc1,CI,0
S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccccc2Cl)N1c1ccc(Cl)cc1,CI,0
S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccc(Br)cc2)N1c1ccc(Cl)cc1,CI,0
Cc1ccc(N=NC2=C3Sc4ccccc4N=C2N(c2ccc(Br)cc2)C(=S)N3c2ccc(Cl)cc2)cc1,CI,0
COc1ccc(C=NNc2nnc3c(n2)[nH]c2ccc(Br)cc23)cc1,CI,0
COc1ccc(C=NNc2nnc3c4ccccc4n(C)c3n2)cc1,CI,0
C(=NNc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1,CI,0
Clc1ccc(C=NNc2nnc3c(n2)[nH]c2ccccc23)cc1,CI,0
O=Nc1c(-c2ccccc2)nc2ccccn12,CI,0
Cc1ccn2c(N=O)c(-c3ccccc3)nc2c1,CM,1
Cc1ccc2nc(-c3ccccc3)c(N=O)n2c1,CI,0
Nc1c(-c2ccccc2[N+](=O)[O-])nc2ccccn12,CI,0
C=CCC12CC(O)C(O)CC1(OC)OC(c1cc(OC)c(OC)c(OC)c1)C2C,CI,0
C=CCC12CC(OC)C(O)CC1(O)OC(c1cc(OC)c(OC)c(OC)c1)C2C,CI,0
C=CCC12CC(O)C(O)CC1(O)OC(c1cc(OC)c(OC)c(OC)c1)C2C,CI,0
C=CCC12CC(OC)C(OC)CC1(OC)OC(c1cc(OC)c(OC)c(OC)c1)C2C,CI,0
CN(C)CN1C(=O)SC(=C2C(=O)N(CN(C)C)c3ccccc32)C1=O,CI,0
CN(C)CN1C(=O)SC(=C2C(=O)N(C)c3ccc(Br)cc32)C1=O,CI,0
CCOC(=O)CN1C(=O)SC(=C2C(=O)N(C)c3ccccc32)C1=O,CI,0
CCOC(=O)CN1C(=O)SC(=C2C(=O)N(C)c3ccc(Br)cc32)C1=O,CI,0
c1ccc2c(c1)[nH]c1c2nc2ccccn21,CI,0
Cl.c1ccc2c(c1)[nH]c1c2nc2ccccn21,CI,0
Clc1ccc2c(c1)[nH]c1c2nc2ccccn21,CI,0
Cl.Clc1ccc2c(c1)[nH]c1c2nc2ccccn21,CI,0
CCCCN(CCCC)c1cc(=O)nc2ccccn12,CI,0
CCN(CC)c1c([N+](=O)[O-])c(=O)nc2ccccn12,CI,0
CCOC(=O)C(=O)Nc1c(N(CC)CC)n2ccccc2nc1=O.Cl,CI,0
CCCCN(CCCC)c1c([N+](=O)[O-])c(=O)nc2ccccn12,CI,0
N[Ru-4](N)(N)(N)(N)Oc1c(O)c(=O)c1=O,CI,0
O=c1c(O)c(O)c1=O,CI,0
CC(C)(C)c1c(C(C)(C)C)c(=O)c1=O,CI,0
CCN(CC)c1c(N(CC)CC)c(=O)c1=O,CI,0
Cc1ccc(S(=O)(=O)Oc2ccc3oc4cccc(NCCN(C)C)c4c(=O)c3c2)cc1,CI,0
Cc1ccc(S(=O)(=O)Oc2ccc3oc4c(CO)ccc(NCCN(C)C)c4c(=O)c3c2)cc1,CI,0
CCN(CC)CCNc1cccc2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12,CI,0
CCN(CC)CCNc1ccc(CO)c2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12,CI,0
COC1=CC2(C=CC1=O)CCC(=O)O2,CM,1
CC(C)(C)OC(=O)NC1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1=O,CI,0
O=C1C=CC2(C=C1)CCC(=O)O2,CI,0
CC(=O)NC1CC2(C=C(Br)C(=O)C(Br)=C2)OC1=O,CI,0
Cc1cn2c(n1)sc1ccccc12,CI,0
COC(=O)Nc1cn2c(n1)sc1ccccc12,CI,0
CCOC(=O)c1cn2c(n1)sc1cc(OC)ccc12,CI,0
CCOC(=O)c1cn2c(n1)sc1cccc(C)c12,CI,0
c1ccc2c(c1)oc1cc3c(cc12)ncc1cccn13,CI,0
Cc1nc2cc3c(cc2n2cccc12)oc1ccccc13,CI,0
Clc1nc2cc3c(cc2n2cccc12)oc1ccccc13,CI,0
COc1nc2cc3c(cc2n2cccc12)oc1ccccc13,CM,1
O=C1Nc2cnc(Cl)nc2Nc2ccccc21,CI,0
O=C1Nc2cnc(Cl)nc2Nc2cc(Cl)ccc21,CI,0
O=C1Nc2cnc(Cl)nc2Nc2ccc(Cl)cc21,CM,1
CN1c2ccccc2C(=O)Nc2cnc(Cl)nc21,CI,0
CCOc1ccc(N2CC(=O)N3CCCCN3C(=O)C2)cc1,CI,0
CC1CCCN2C(=O)CN(c3ccccc3)CC(=O)N12,CI,0
Cc1ccc(N2CC(=O)N3CCCC(C)N3C(=O)C2)cc1,CI,0
CCOc1ccc(N2CC(=O)N3CCCC(C)N3C(=O)C2)cc1,CI,0
NC(=O)c1c(Cl)nc2n1CCS2,CI,0
Cc1nc2n(c1C(N)=O)CCS2,CI,0
COC(=O)Nc1cn2c(n1)SCC2,CI,0
Cl.N=C(N)NN=Cc1c(Cl)nc2n1CCS2,CI,0
CCc1c(C)c(SC)n(C)c(=O)c1C#N,CI,0
Cc1cc(CC(=O)NCCO)n(CCO)c(=O)c1,CI,0
COc1ccn(C)c(=O)c1C#N,CI,0
CCCC(=O)c1ccc(=O)n(C)c1,CI,0
COc1ccccc1C1C(C#N)C(=O)NC(=O)C1C#N,CI,0
CC1(c2ccc(F)cc2)C(C#N)C(=O)NC(=O)C1C#N,CI,0
CC1(c2cccc([N+](=O)[O-])c2)C(C#N)C(=O)NC(=O)C1C#N,CI,0
CC1(c2ccccc2Cl)C(C#N)C(=O)NC(=O)C1C#N,CI,0
CC1C(=O)C(C)C(c2ccccc2)NC1c1ccccc1,CI,0
COc1ccc(C2C(C)C(=O)C(C)C(c3ccc(OC)cc3)N2N=O)cc1,CI,0
CC1C(=O)C(C)C(c2ccccc2)N(N=O)C1c1ccccc1,CI,0
COc1ccc(C2NC(c3ccc(OC)cc3)C(C)C(=O)C2C)cc1,CI,0
O=S1(=O)C(c2ccccc2)=C(O)c2cc3ccccc3nc21,CI,0
O=S1(=O)C(c2cccc(F)c2)=C(O)c2cc3ccccc3nc21,CI,0
O=S1(=O)C(c2ccc(F)cc2)=C(O)c2cc3ccccc3nc21,CI,0
O=S1(=O)C(c2cccc(C(F)(F)F)c2)=C(O)c2cc3ccccc3nc21,CI,0
CCOC(=O)Cc1csc2nc(-c3ccccc3)nn12,CI,0
Cc1ccc(-c2nc3scc(C)n3n2)cc1,CI,0
c1ccc(-c2nc3sccn3n2)cc1,CI,0
CCOC(=O)c1sc2nc(-c3ccccc3)nn2c1CBr,CI,0
COc1ccc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc1,CM,1
COc1cc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc(OC)c1OC,CI,0
Clc1ccc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc1,CI,0
COc1ccccc1C=NNc1nnc2c3ccccc3c3ncccc3c2n1,CI,0
C=C1CC23CC4C5C6(C)CC(O)CC57C(C2C(O)C1C(O)C37)N4C6,CI,0
C=C1C2CC3C4N5CC6(C)CCCC47C6C5CC3(C1O)C7C2O,CI,0
C=C1C2CC3C4N5CC6(C)CCCC47C(C2O)C3(CC5(O)C67)C1O,CI,0
C=C1C(OC(=O)C(C)C)C23CC4(O)C5C6(C)CCCC57C(C2CC1(O)C(O)C37)N4C6,CI,0
COc1cc(OC)c(OC)cc1C=NNC(=O)NN=Cc1cc(OC)c(OC)cc1OC,CI,0
O=C(NN=Cc1cccc(O)c1O)NN=Cc1cccc(O)c1O,CI,0
O=C(NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O,CI,0
O=C(NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1,CI,0
Cc1[nH]cc2c1C(c1ccccc1)=NCC(=O)N2,CI,0
Cc1c2c(cn1C)NC(=O)CN=C2c1ccccc1,CI,0
CCc1c2c(c(C)n1C)C(c1ccccc1)=NCC(=O)N2,CI,0
Cc1[nH]cc2c1C(c1ccccc1F)=NCC(=O)N2,CI,0
CC(C)c1nsc(N)c1C(N)=O,CI,0
N#Cc1cnsc1,CI,0
CCOc1snc(C(Cl)(Cl)Cl)c1Cl,CI,0
COC(=O)c1nsc(OC)c1Cl,CI,0
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CI,0
COP(=O)(OC)C(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC=O,CI,0
OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1,CI,0
COP(=O)(OC)C(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(C)=O,CI,0
COc1ccc2c(c1)CCC1C(=O)NN=C21,CI,0
COc1cc2c(c(OC)c1OC)CCC1C(=O)NN=C21,CI,0
COc1cc2c(c(OC)c1OC)CCC1(C)C(=O)NN=C21,CI,0
COc1cc2c(c(OC)c1OC)C1=NNC(=O)C1(C)CC2,CI,0
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,CI,0
COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3.[Cl-],CI,0
COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2.[Cl-],CI,0
COc1cc2c(cc1OC)-c1cc3ccccc3c[n+]1CC2.[Cl-],CI,0
COc1ccc(-c2sc(N=Cc3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC,CM,1
COc1ccc(-c2sc(N=Cc3cc(OC)c(OC)c(OC)c3)c(C#N)c2C)cc1OC,CI,0
COc1ccc(-c2sc(N=Cc3cc(Br)cc(Br)c3O)c(C#N)c2C)cc1OC,CI,0
Cc1c(-c2ccccc2)sc(N=Cc2cc(Br)cc(Br)c2O)c1C#N,CI,0
N#CNC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
CCCCN.N#CNC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
N=C(N)NP(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
COC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1,CI,0
CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCC(O)C(C)CC(=O)OCC2(CC1O)C4(C)C31CO1,CI,0
CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1,CI,0
CC(=O)OC1(C)CC(=O)OCC23CCC(C)=CC2OC2CC(OC(=O)C=CC=CC(C(C)O)OCC1O)C3(C)C21CO1,CI,0
Cn1cccnc1=O,CI,0
COc1ccn(CC(C)=O)c(=O)n1,CI,0
CN(C)C=Nc1ccn(CCO)c(=O)n1,CI,0
COc1nc(=O)n(C)cc1B(O)O,CI,0
N=C(CSS(=O)(=O)O)NCCc1c[nH]c(=S)[nH]1,CI,0
N#Cc1[nH]c(=S)[nH]c1N,CI,0
Cn1c(N)c(C(N)=O)[nH]c1=S,CI,0
Cl.NNc1[nH]c(=S)[nH]c1C(N)=O,CI,0
O=Cc1c[nH]c2nccnc12,CI,0
Cn1cc(C=O)c2nccnc21,CI,0
COC(=O)C=Cc1c[nH]c2nccnc12,CI,0
NC(=O)C=Cc1c[nH]c2nccnc12,CI,0
COc1ccc(-c2c(C)c(C)nc(O)c2C(=O)O)c(OCc2ccccc2)c1OC,CI,0
COc1ccc(-c2c(C)c(C)nc(Cl)c2C#N)c(OCc2ccccc2)c1OC,CI,0
C=Cc1c(C#N)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1,CI,0
C=Cc1c(Cl)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1,CI,0
CN(C)C=C1C(=O)NC(=O)NC1=O,CI,0
CC(=O)NNC(=S)NC=C1C(=O)NC(=O)NC1=O,CI,0
C=CCNC(=S)NC=C1C(=O)NC(=O)NC1=O,CI,0
CC(=S)NC=C1C(=O)NC(=O)NC1=O,CI,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C,CI,0
C=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C,CI,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(=O)OC,CI,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CCO,CI,0
COc1ccc(C(C(N)=O)N2CCCC2)cc1,CI,0
NC(=O)C(c1ccccc1)N1CCCC1,CI,0
CC(=O)C1CCN(Cc2ccccc2)C1,CI,0
C=CCCCC(C#N)(c1ccccc1)N1CCCC1,CI,0
CCCCCCCCCCCCCCCC(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,CI,0
CCCCCCCCCCCCCCC(F)C(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,CI,0
CC(=O)OC1C(CNC(=O)N(C)N=O)OC(OC2(CNC(=O)N(C)N=O)OC(CNC(=O)N(C)N=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
C=CCCC1(O)C(O)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1O,CI,0
COC(=O)c1cc(=O)nc2n1C1OC(CO)C(O)C1O2,CI,0
O=c1ccn2c(n1)OC1C(O)C(CO)OC12,CI,0
O=c1nc2n(cc1F)C1OC(CCl)C(O)C1O2,CI,0
Cc1cn2c(nc1=O)OC1C(O)C(CCl)OC12,CI,0
N#CC(C=Cc1ccccc1)Nc1ccccc1,CI,0
N#CC(C=Cc1ccccc1)Nc1ccccc1N,CI,0
N#CC(C=Cc1ccccc1)Nc1ccccc1CO,CI,0
N#CC(=Cc1ccccc1)C(NO)Nc1ccccc1,CI,0
COc1ccc(N=CC=Cc2ccccc2)cc1,CI,0
C(=Cc1ccccc1)C=Nc1ccccc1,CI,0
Nc1ccc([N+](=O)[O-])cc1N=CC=Cc1ccccc1,CI,0
CC(C=Cc1ccccc1)=Nc1ccccc1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)no1,CI,0
CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(=O)OCC)C(F)(F)F,CI,0
O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1,CI,0
O=C(O)CN1C(=O)CN=C(c2ccccn2)c2cc(Cl)ccc21,CI,0
CCN(CC)CCN1C(=O)CN=C(c2ccccn2)c2cc(Cl)ccc21,CI,0
O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1CCO,CI,0
CCOC(=O)N1CCc2cc(OC)c(OC)c3c2c1cc1cc(OC)c(OC)cc13,CI,0
COC(=O)C=C(C(=O)OC)c1c2c3c(cc(OC)c(OC)c3c3ccccc13)CCN2C,CI,0
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCCC(=O)O,CI,0
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCC(=O)O,CI,0
Nc1ccc(S(=O)(=O)S(=O)(=O)c2ccc(N)cc2)cc1,CI,0
O=S(=O)(c1ccccc1)S(=O)(=O)c1ccccc1,CI,0
O=S(=O)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,CI,0
O=S(=O)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1,CI,0
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2,CI,0
Nc1ccc2c(c1)C(=O)OC2(C(F)(F)F)C(F)(F)F,CI,0
COC1OC(=O)c2ccccc21,CI,0
CCCCCCCCCCCCCCC1OC(=O)c2ccccc21,CI,0
Cc1ccc2nc3nc(C)c(C)nc3nc2c1,CI,0
Oc1nc2nc3ccccc3nc2nc1O,CI,0
Clc1nc2nc3ccccc3nc2nc1Cl,CI,0
Oc1nc2nc3ccccc3nc2nc1O.[KH],CI,0
COc1ccc(OC)c2[nH]c(CCc3nc4c(OC)ccc(OC)c4[nH]3)nc12,CI,0
COc1cc2nc(CC(O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC,CI,0
COc1cc2nc(C(O)C(O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC,CI,0
COc1cc2nc(CCc3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC,CM,1
CCOC(=O)CN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1,CI,0
CCOC(=O)CN(c1scc(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)CCCN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
COC(=O)CC(O)(CCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4,CI,0
COC1=CC23CCCN2CCc2cc4c(cc2C3C1O)OCO4,CI,0
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4,CI,0
COC(=O)C(O)C(O)(CCC(C)C)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4,CI,0
CC(C)C1=C(O)C(=O)C2=C(C1=O)C(O)CC1C(C)(C)CCCC21C,CI,0
CC(C)C1=C(O)C(=O)C2=C(C1=O)C(OC=O)C(O)C1C(C)(C)CCCC21C,CI,0
CC(=O)OC1CC2C(C)(C)CCCC2(C=O)C2=C1C(=O)C(C(C)C)=C(O)C2=O,CI,0
CC(=O)OC1CC2C(C)(C)CCCC2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O,CI,0
c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1,CI,0
COc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3.Cl,CI,0
Cl.Fc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3,CI,0
COc1cc2c3c([nH]c2c(OC)c1OC)CCN(Cc1ccccc1)C3.Cl,CI,0
CCOC(=O)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)s1,CI,0
CCOC(=O)CN(c1sc(C)c(CC)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1C,CI,0
CCOC(=O)CN(c1sc(C)c(C)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0
CC(C)C(NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)O)C(C)C)NC(=O)OCc1ccccc1)C(=O)O,CI,0
CCOC(=O)CNC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1,CI,0
NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(N)=O)NC(=O)OCc1ccccc1,CI,0
O=C(NC(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O)OCc1ccccc1,CI,0
CCN(CC)c1ccc(N=Cc2cc(=O)n(C)c3ccccc23)cc1,CI,0
Cn1c(=O)cc(C=Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21,CI,0
Cn1c(=O)cc(C=Nc2ccc(O)cc2)c2ccccc21,CI,0
Cn1c(=O)cc(C=Nc2ccc(C(=O)O)cc2)c2ccccc21,CI,0
Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1,CI,0
Cc1ccc([S+](c2ccccc2)c2cc(C)ccc2C)cc1,CI,0
O=S(=O)(O)O.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1,CI,0
Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
CC(=O)OCC1OC(n2cnc([N+](=O)[O-])c2Br)C(OC(C)=O)C1OC(C)=O,CI,0
O=[N+]([O-])c1ncn(C2OC(CO)C(O)C2O)c1S,CI,0
NC(=[Se])c1ncn(C2OC(CO)C(O)C2O)c1N,CI,0
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1NC=O,CI,0
CCOC(=O)c1[nH]c2c(OCC)nc(OCC)nc2c1Br,CI,0
O=C(O)c1[nH]c2c(O)nc(O)nc2c1Br,CI,0
Nc1nc(O)c2[nH]ccc2n1,CI,0
Cn1ccc2nc(O)nc(S)c21,CI,0
CC1=CC(C)(C)C(C#N)(C#N)C(N)=C1C#N,CI,0
COC(=O)C1=C(O)C(O)=C(C(=O)OC)CC1.[NaH],CM,1
NC(CCP(=O)(O)CCC1C=CC=CC1)C(=O)O,CI,0
NC(CCOCCP(=O)(O)CCC1C=CC=CC1)C(=O)O,CI,0
CN(C)CC1(C)Cc2ccsc2C1O,CI,0
CCOC(=O)c1c(N)sc2c1C(C(=O)OCC)CC2,CI,0
CCOC(=O)c1c(N)sc2c1C(C)(C(=O)OCC)CC2,CI,0
CCOC(=O)C1(C)CCc2sc(N)c(C#N)c21,CM,1
COc1ccc2c(c1)OCC(O)(c1ccccc1)C2=O,CI,0
C=CC(C)(C)C1Oc2cc(O)ccc2C(=O)C1c1ccc(OC)c(OC)c1O,CI,0
COc1ccc(C2(CN(C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC,CI,0
COc1ccc(C2COc3c(ccc(OC)c3OC)C2=O)cc1OC,CI,0
O=C(O)c1c2ccccc2nc2nc(O)nc(O)c12,CI,0
Cc1nc(O)nc2nc3cc(Cl)cc(Cl)c3c(NC(C)(CO)CO)c12,CI,0
CCOc1ccc2nc3nc(O)nc(C)c3c(NC(C)(CO)CO)c2c1,CI,0
CCOc1ccc2nc3nc(O)nc(C)c3c(NCCCN(CC)CC)c2c1,CI,0
O=P1(O)c2ccccc2Oc2ccccc21,CI,0
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1O2,CI,0
Cc1cc([N+](=O)[O-])c2c(c1)P(=O)(O)c1cc(C)cc([N+](=O)[O-])c1O2,CI,0
O=C(O)c1cc([N+](=O)[O-])c2c(c1)P(=O)(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1O2,CI,0
CCNc1ncc2nc(CC(=O)OC)c(=O)n(CC)c2n1,CI,0
CNc1ncc2nc(C(=O)O)c(=O)n(C)c2n1,CI,0
CNc1ncc2nc(C)c(=O)n(C)c2n1,CI,0
CCOC(=O)c1nc2c(C)nc(N(C)C)nc2n(C)c1=O,CI,0
O=S(=O)(SSS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
O=S(=O)(SSS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,CI,0
O=S(=O)(SSS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=[N+]([O-])c1cccc(S(=O)(=O)SSS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,CI,0
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4C(=O)O,CI,0
CC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3,CI,0
CC(=O)OC1C(C)(O)C2CCC3C4(C)CCCC(C)(C)C4CCC13C2,CI,0
COC1(C)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3,CI,0
Nc1nc(SCc2ccccc2)c2ncn(CCO)c2n1,CI,0
N#Cc1ccccc1CSc1ncnc2[nH]cnc12,CM,1
N#Cc1cccc(CSc2ncnc3[nH]cnc23)c1,CI,0
N#Cc1ccc(CSc2ncnc3[nH]cnc23)cc1,CI,0
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc([N+](=O)[O-])ccc2O)cc1,CI,0
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2O)cc1,CI,0
Sc1ccccc1C1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1,CI,0
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Cl)cc(Cl)c2O)c(OC)c1,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C2CCC1N2C,CI,0
CC(=O)OC1CC2CC(=O)CC1N2C,CI,0
CN1C2CC(=O)CC1C(O)C2O,CI,0
N#CN1C2CCC1CC(=O)C2,CI,0
Cc1ncc(CCl)c2c1OC(C)(C)OC2,CI,0
Cc1ncc(C(N)=O)c2c1OC(C)(C)OC2,CI,0
Cc1ncc(CC#N)c2c1OC(C)(C)OC2,CI,0
CCOP(=O)(OCC)C(F)(F)Cc1cnc(C)c2c1COC(C)(C)O2,CI,0
O=c1cc(CO)[nH]cc1O,CI,0
NC(Cn1ccc(=O)c(O)c1)C(=O)O,CI,0
O=c1c(I)c[nH]cc1I,CI,0
CCCn1ccc(=O)c(O)c1C,CI,0
CS(=O)(=O)Nc1ccc2oc(=O)c3ccccc3c2c1,CI,0
O=c1oc2ccc(O)cc2c2ccccc12,CI,0
COc1cc(O)c2c(=O)oc3cc(O)cc(C)c3c2c1,CI,0
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12,CI,0
COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1,CI,0
COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1,CI,0
CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1,CI,0
CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccccc1,CI,0
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc([N+](=O)[O-])cc5)c(N)c4c3O)cc2)cc1,CI,0
Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c2ccc(S(=O)(=O)O)cc12,CI,0
Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6cccc([N+](=O)[O-])c6)c(N)c5c4O)cc3)cc2)c2cc(S(=O)(=O)O)ccc12,CM,1
Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c2cc(S(=O)(=O)O)ccc12,CM,1
CCN(CC)CCOc1ccc(C(C#N)=Cc2cccc3ccccc23)cc1,CI,0
N#CC(=Cc1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1,CI,0
N#CC(=Cc1cccc2ccccc12)c1ccc(Cl)cc1,CI,0
CCc1ccc(C(C#N)=Cc2cccc3ccccc23)cc1,CI,0
NC(=O)C(c1ccccc1)N1CCCCC1,CI,0
COc1ccc(C(C(N)=O)N2CCCCC2)cc1,CI,0
CCCNC1(C(N)=O)CCN(Cc2ccccc2)CC1,CI,0
CNC1(C#N)CCN(Cc2ccccc2)CC1,CI,0
C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(=C)C)c1=O,CI,0
CC(=O)SCCCn1c(=O)n(CCCSC(C)=O)c(=O)n(CCCSC(C)=O)c1=O,CI,0
O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,CI,0
O=C(NCO)NCOCn1c(=O)n(CO)c(=O)n(CO)c1=O,CI,0
Cc1cc2c(cc1C)NC(=O)CC(=O)N2,CI,0
O=C1CC(=O)Nc2ccccc2N1,CI,0
COc1cc2c(cc1OC)NC(=O)CC(=O)N2,CI,0
O=C1Nc2ccccc2NC(=O)C1(O)O,CI,0
COc1c(O)cc2c(c1O)C(=O)C1=C(CCCC1)C2=O,CI,0
O=C1C2=C(C(=O)c3c(O)ccc(O)c31)C(O)C(O)C(O)C2,CI,0
CC1(O)CC2=C(CC1O)C(=O)c1c(O)ccc(O)c1C2=O,CI,0
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1,CI,0
FC(F)(F)c1nc(Cl)c2ncsc2n1,CI,0
CSc1nc2c(S)nc(S)nc2s1,CI,0
C=CCNc1ncnc2sc(SC)nc12,CI,0
C=CCNc1nc2c(N)ncnc2s1,CI,0
OC1C(O)C2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,CI,0
CC(=O)OC1C2CCC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,CI,0
OC1C2CCC1C1C3C=CC(C3)C21,CI,0
N#CCCC1C(C#N)C2CC1C1C3C=CC(C3)C21,CI,0
N#CC(=Cc1ccc2c(c1)OCO2)c1ccccc1,CI,0
Cc1ccc(C(C#N)=Cc2ccc3c(c2)OCO3)cc1,CI,0
COc1cc(C=C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0
COc1cc(C=C(C)c2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0
O=C(NN=Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)NN=Cc1ccc(O)c(S(=O)(=O)O)c1,CI,0
O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1,CI,0
CCOc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(OCC)c(OCC)c2)cc1OCC,CI,0
O=C(NN=Cc1ccccc1S(=O)(=O)O)C(=O)NN=Cc1ccccc1S(=O)(=O)O,CI,0
CN1C2CCC1CC(O)C2,CI,0
CN1C2CCC1C(CO)C(O)C2,CI,0
CC(=O)OCC1C(OC(C)=O)CC2CCC1N2C#N,CI,0
CN1C2CCC1CC(C)(O)C2,CI,0
Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=C=C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
C=CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
OCC(O)CCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,CI,0
Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1,CI,0
Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1.[NaH],CI,0
OC1COC2C(O)COC12,CI,0
O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12,CI,0
CC(C)(C)C(=O)OC1COC2C(O)COC12,CI,0
CC(=O)OC12CC(C(F)(F)F)(C(F)(F)F)OC1(OC(C)=O)CC(C(F)(F)F)(C(F)(F)F)O2,CI,0
Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c(=O)n1C,CI,0
[N-]=[N+]=NCC(CO)OCn1cc(Cc2ccccc2)c(=O)[nH]c1=O,CI,0
Cn1c(N)c(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O,CI,0
COc1ccc(Cc2c(N)[nH]c(=O)n(C)c2=O)cc1,CI,0
CC1=Nc2ccccc2NC(=O)C1,CI,0
CC1=Nc2cc(C)c(C)cc2NC(=O)C1,CI,0
CCCCCCCCCCCCCCCCCC1=Nc2ccccc2NC(=O)C1,CI,0
CCCCCCCCCCCCCCCCCC1=Nc2cc(C)c(C)cc2NC(=O)C1,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)c1ccccc1)CC2,CI,0
COc1cc(C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccccc1)CC2,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)c1ccc(N=[N+]=[N-])cc1)CC2,CI,0
Oc1ccc(Cl)cc1-c1nc2ccccc2s1,CI,0
Oc1ccc(-c2nc3ccccc3s2)c(O)c1,CI,0
COc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O,CI,0
Nc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O,CI,0
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21,CI,0
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21,CI,0
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)OC(C)(C)C,CI,0
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1N=O,CI,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12,CI,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1C,CI,0
COC12C(COC(=O)NCCO)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12,CI,0
C=C(C)CNC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(OC)C3NC3CN21,CI,0
O=P1(N(CCCl)CCCl)NCCCO1,CI,0
O=P1(NCCCl)OCCCN1CCCl,CI,0
CN(C)P1(=O)NCC(C)(C)CO1,CI,0
C=CCC(C)C(=O)CP1(=O)OC(C)CCN1C(C)(C)C,CI,0
CC(O)(c1ccccc1)c1nccc2ccccc12,CI,0
Oc1ccc(Cc2nccc3cc(O)c(O)cc23)cc1O,CI,0
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1.Cl,CI,0
COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(N=NN(C)C)cc1OC,CI,0
C[N+](C)(C)CCCC#CC[N+]1(C)CCc2ccccc2C1,CI,0
C[N+]1(CCCl)CCc2ccc([N+](=O)[O-])cc2C1.[Cl-],CI,0
C[N+]1(CCCl)CCc2cccc([N+](=O)[O-])c2C1.[Cl-],CI,0
C[N+]1(CCCl)CCc2cc([N+](=O)[O-])ccc2C1.[Cl-],CI,0
C[N+](C)(C)CCCC#CC[N+]1(C)CCOCC1,CI,0
C[N+]1([O-])CCOCC1,CI,0
CCCCCCCCCCCCCCCC1(OC)C[N+](C)(C)CCO1.[I-],CI,0
C[N+]1(CC(O)(O)C(F)F)CCOCC1.[Cl-],CI,0
Oc1nnnc2cc(Cl)ccc12,CI,0
CSc1nnnc2ccccc12,CI,0
Oc1nnnc2ccccc12,CI,0
Sc1nnnc2ccccc12,CI,0
CCOC(=O)C1CC(C(=O)OCC)c2nc3ccccc3nc21,CI,0
COC(=O)C1CC(C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc21,CI,0
COC(=O)C1CC(C(=O)OC)c2nc3cc(C)ccc3nc21,CI,0
COC(=O)C1CC(C(=O)OC)c2nc3cc(C)c(C)cc3nc21,CI,0
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1,CI,0
Nc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6cccc(N)c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1,CA,1
COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc(S(=O)(=O)O)cc5C)c(S(=O)(=O)O)cc4c3)ccc2c1O,CA,1
O=C(Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1.[NaH],CA,1
Cc1ncc2c(c1O)COC2=O,CI,0
Cc1cc2c(c(O)n1)C(=O)OC2,CI,0
CCOC(=O)C1(C(C)=O)OC(=O)c2cnccc21,CI,0
CCOC(=O)C1(C#N)OC(=O)c2cnccc21,CI,0
Cc1ccc(C(C)C)c(OP(=S)(S)Oc2cc(C)ccc2C(C)C)c1,CI,0
CC(O)CSP(=S)(Oc1ccccc1)Oc1ccccc1,CI,0
CCC(C)(C)c1ccc(OP(=S)(S)Oc2ccc(C(C)(C)CC)cc2)cc1,CI,0
CC(C)(C)c1ccc(OP(=S)(NN)Oc2ccc(C(C)(C)C)cc2)cc1,CI,0
CCOC(=O)OC(=S)N(C1CCCCC1)C1CCCCC1,CI,0
CNC(=O)N(C1CCCCC1)C1CCCCC1,CI,0
N#CC1CCCCC1NC1(C#N)CCCCC1,CI,0
C1CCC(NC2CCCCC2)CC1.CC(OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O,CI,0
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1,CI,0
Cc1cc(C(=C2C=CC(=N)C(S(=O)(=O)O)=C2)c2ccc(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N,CI,0
Cc1cc(C(=C2C=CC(=N)C=C2)c2ccc(N)cc2)ccc1N,CI,0
CCN=C1C=CC(=C(c2ccc(NCC)c(C)c2)c2cc(O)c(S(=O)(=O)O)cc2S(=O)(=O)O)C=C1C,CI,0
Cc1cc(S(=O)(=O)O)ccc1N=Nc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1,CI,0
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)cc2)cc1,CI,0
Cc1cc(N=Nc2cc(S(=O)(=O)O)c(N)cc2N)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1,CI,0
CCN(CC)c1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4ccc(N)cc4c3O)c(OCCO)c2)cc1.[NaH],CI,0
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1,CI,0
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C(=O)C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)O)cc1,CI,0
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1,CI,0
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(Br)cc1C,CI,0
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(Br)c(C)c1,CI,0
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21,CI,0
O=C1OC2(c3ccccc3Oc3ccccc32)c2ccccc21,CI,0
Cc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(F)cc1O2,CI,0
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21,CI,0
CC(C)C1(Cl)CCC2C3(C)CCCC(C)(C(=O)O)C3CC(Cl)C2(Cl)C1Cl,CI,0
COC(=O)C1(C)CCCC2(C)C3CC(CO)C(C(C)C)CC3CCC12,CI,0
C=CC1(C)CCC2(O)C(CCC3C(C)(COC(=O)CC(=O)OC)CCCC32C)C1,CI,0
C=CC1(C)CCC2(C)C(CCC3(C)C2CC(O)C(O)C3(C)O)C1,CI,0
O=C1c2ccccc2C(=O)N1Cc1ccccc1,CI,0
Nc1ccccc1CN1C(=O)c2ccccc2C1=O,CI,0
Nc1ccc([N+](=O)[O-])cc1CN1C(=O)c2ccccc2C1=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O,CM,1
Nc1nc(O)c2nn[nH]c2n1,CI,0
CCCCCCCCCCn1nnc2c(O)nc(N)nc21,CI,0
COc1nc(O)c2nn[nH]c2n1,CI,0
Oc1nc(Br)nc2[nH]nnc12,CI,0
S=C1NCCS1,CI,0
CC1(C)CNC(=S)S1,CI,0
CC1(C)CSC(=S)N1,CI,0
CC(=O)CC(=O)N1CCSC1=S,CI,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl,CM,1
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl,CI,0
Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3nc4cccnc4[nH]3)c(SSc3cc(Cl)c(C(=O)Nc4ccc(C)cc4)cc3S(=O)(=O)Nc3nc4cccnc4[nH]3)cc2Cl)cc1,CI,0
CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S)=NN1,CI,0
CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S)=NN1,CI,0
CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(Cl)cc2S)=NN1,CI,0
CCC1(CCCC=C(c2cc(Cl)c(OC)c(C(=O)OC)c2)c2cc(Cl)c(OC)c(C(=O)OC)c2)OCCO1,CI,0
CCC1(CCCC=C(c2cc(Cl)c(OC)c(CO)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1,CI,0
CCC1(CCCC=C(c2cc(Cl)c(OC)c(C=O)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1,CI,0
COC(=O)c1cc(C(=CCC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(NC(=O)CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CM,1
COc1c(Cl)cc(C(=CCC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0
FC(F)(Oc1ccccc1)c1nc2ccccc2o1,CI,0
Cc1cc(OC(F)(F)c2nc3ccccc3o2)cc(C)c1C,CM,1
Cc1cccc(C)c1OC(F)(F)c1nc2ccccc2o1,CI,0
CSC12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)C2Oc1ccccc1,CI,0
CSC12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)C2Oc1ccccc1,CI,0
CSC12c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3CC(C)(C)CN1C(=O)C2Oc1ccccc1,CI,0
CC(C)(C)c1cc2c(O)c(c1)COCc1cc(C(C)(C)C)cc(c1O)COCc1cc(C(C)(C)C)cc(c1O)COC2,CI,0
Cc1cc2c(O)c(c1)COCc1cc(C)cc(c1O)COCc1cc(C)cc(c1O)COC2,CI,0
Oc1c2cc(Cl)cc1COCc1cc(Cl)cc(c1O)COCc1cc(Cl)cc(c1O)COC2,CI,0
COC1OC2CCN3C(=O)C(OC(=O)c4ccc([N+](=O)[O-])cc4)C1C23,CI,0
O=C(OC1C(=O)N2CCC3OC(O)C1C32)c1ccc([N+](=O)[O-])cc1,CI,0
CS(=O)(=O)c1ccc(C(=O)OC2C(=O)N3CCC4OC(O)C2C43)cc1,CI,0
CCOC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)CC3OC(=O)C1C32,CI,0
CC(C)(C)OC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)CC3OC(=O)C1C32,CI,0
CCOC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)C(OC(C)=O)C3OC(=O)C1C32,CI,0
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1CCC(n2ccc(NC(=O)CCCCCCCCCCCCCCC)nc2=O)O1)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC)C(O)C2O)c(=O)n1,CM,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC)O2)c(=O)n1,CA,1
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CNC(=O)N(O)C3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O)C(CNC(=O)N(O)C3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O)C(CN(O)C(=O)NC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)[nH]c1=O,CI,0
CC(=O)Oc1ccc(C=CC(=O)NCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)NCCOC(=O)C=Cc1ccc(O)c(O)c1,CI,0
COC(=O)C(COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1,CI,0
NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1,CI,0
NS(=O)(=O)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1,CI,0
COc1cc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc(OC)c1OC,CI,0
O=C(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
O=C(c1ccc(Br)cc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
COc1cc(C(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc(OC)c1OC,CI,0
Clc1nc(Cl)nc(NC23CC4CC(CC(C4)C2)C3)n1,CI,0
CN(C)c1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(C)C)n1,CI,0
CN(C)c1nc(N(C)C)nc(N(C)C23CC4CC(CC(C4)C2)C3)n1,CI,0
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,CI,0
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C,CI,0
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(O)(CCC(CO)COC6OC(CO)C(O)C(O)C6O)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O,CI,0
CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccccc4)OC23)C(O)C(O)C1O,CI,0
CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccc(O)cc4)OC23)C(O)C(O)C1O,CI,0
COc1cc(C=CC(=O)OCC23OC2C(OC2OC(C)C(O)C(O)C2O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1O,CI,0
O=C1CC(c2ccccc2)C2(C(=O)NC(=S)NC2=O)C(c2ccccc2)C1,CI,0
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)NC(=S)NC3=O)cc1,CI,0
COc1ccccc1C1CC(=O)CC(c2ccccc2OC)C12C(=O)NC(=S)NC2=O,CI,0
CC(NC1CCCC1(O)C#Cc1ccc2c(c1)OCO2)c1ccccc1,CI,0
OC1(C#Cc2ccc3c(c2)OCO3)CCCC1NCc1ccccc1,CI,0
N#CCN(Cc1ccccc1)C1CCCC1(O)C#Cc1ccc2c(c1)OCO2,CI,0
CSC1=C(C(=O)N(COCC[Si](C)(C)C)c2ccccc2Br)CCC(C(C)(C)C)C1,CI,0
CC(C)[Si](OC1=C(C(=O)N(C)c2ccccc2Cl)CCCC1)(C(C)C)C(C)C,CI,0
CC(C)[Si](OC1=C(C(=O)N(C)c2cccc(Cl)c2)CCCC1)(C(C)C)C(C)C,CI,0
Cc1nnc(N)nc1C=Cc1ccc(Cl)cc1Cl,CI,0
Cc1nnc(N)nc1C=Cc1ccc(N(C)C)cc1,CI,0
COc1cc(C=Cc2nc(N)nnc2C)cc(OC)c1OC,CI,0
Cc1cn(CC2=NCCCN2)c(=O)[nH]c1=O.Cl,CI,0
Cc1cn(CC2=NCC(C)(C)CN2)c(=O)[nH]c1=O.Cl,CI,0
CCC1CCN=C(Cn2cc(C)c(=O)[nH]c2=O)N1.Cl,CI,0
Cc1cn(CC2=NCCN2)c(=O)[nH]c1=O.Cl,CI,0
Cc1cn(CC2=NCC(C)N2)c(=O)[nH]c1=O.Cl,CI,0
Cc1cn(CC2=NCC(C)(C)N2)c(=O)[nH]c1=O.Cl,CI,0
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1C2O,CI,0
CSc1nc2c(c(N(C)C)n1)C(O)n1c(nc3ccccc31)S2,CI,0
COc1cc2nc3n(c2cc1OC)C(O)c1c(Cl)nc(SC)nc1S3,CI,0
CN(C)c1ccc(C=NCC2CCCN3CCCCC23)cc1,CI,0
Oc1ccc(C=NCC2CCCN3CCCCC23)cc1,CI,0
O=[N+]([O-])c1ccc(O)c(C=NCC2CCCN3CCCCC23)c1,CI,0
CCOC(=O)c1c(NC(=O)OC)c(C#N)c2n1CCCCC2,CI,0
CCNC(=S)Nc1c(C#N)c2n(c1C(=O)OCC)CCCCC2,CI,0
CCCCNC(=O)Nc1c(C(N)=O)c2n(c1C(=O)OCC)CCCCC2,CI,0
CC(=O)N1CC2(CN(C(C)=O)CC3(C1)OCCO3)OCCO2,CI,0
O=C(N1CC2(CN(C(=O)C(F)(F)F)CC3(C1)OCCO3)OCCO2)C(F)(F)F,CI,0
C1COC2(CNCC3(CNC2)OCCO3)O1.Cl,CI,0
O=C(CCCCCCCCC(=O)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1ccc(Cl)cc1)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1ccc(Cl)cc1,CI,0
COc1ccc(C=C2SC(c3ccc(Cl)cc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3ccc(Cl)cc3)C2=O)cc1OC,CM,1
COc1ccc(C=C2SC(c3ccccc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3ccccc3)C2=O)cc1OC,CI,0
S=c1oc(CCCCCCCCc2nn(CNc3ccccc3)c(=S)o2)nn1CNc1ccccc1,CI,0
S=c1oc(CCCCCCCCc2nn(CNc3ccc(Cl)cc3)c(=S)o2)nn1CNc1ccc(Cl)cc1,CI,0
COc1ccc(NCn2nc(CCCCCCCCc3nn(CNc4ccc(OC)cc4)c(=S)o3)oc2=S)cc1,CI,0
c1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccccc4)o3)o2)cc1,CI,0
Clc1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccc(Cl)cc4)o3)o2)cc1,CI,0
COc1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccc(OC)cc4)o3)o2)cc1,CI,0
c1ccc(Nn2c(CCCCCCCCc3nnc(COc4ccccc4)n3Nc3ccccc3)nnc2COc2ccccc2)cc1,CI,0
Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)n3Nc3ccccc3)n2Nc2ccccc2)cc1,CI,0
Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)n3Nc3ccccc3)n2Nc2ccccc2)c(Cl)c1,CI,0
O=C(COc1ccc(OCC(=O)N2C(=O)CC(=O)N(c3ccccc3)C2=S)cc1)N1C(=O)CC(=O)N(c2ccccc2)C1=S,CI,0
O=C(COc1ccc(OCC(=O)N2C(=O)CC(=O)N(c3ccc(Cl)cc3)C2=S)cc1)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S,CI,0
COc1ccc(N2C(=O)CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CC(=O)N(c5ccc(OC)cc5)C4=S)cc3)C2=S)cc1,CI,0
N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(O)C2=O,CI,0
N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(N)C2=O,CI,0
CNN1C(=O)c2c(N)c(C#N)c(-c3ccccc3)c(-c3ccccc3)c2C1=O,CI,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl,CA,1
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl,CM,1
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCNNC3=O)c(S)cc2Cl)cc1,CM,1
Cc1nc(O)c2c(n1)N(C)C(=S)N1CCCCCCCC21,CI,0
CN1C(=S)N2CCCCCCCC2c2c(O)nc(CCl)nc21,CI,0
CC(Cl)c1nc(O)c2c(n1)N(C)C(=S)N1CCCCCCCC21,CI,0
N#Cc1c(N)c(C(=O)Nc2ccccc2)n2c1CCCC2,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2,CI,0
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2,CI,0
O=C1CC(=O)n2cnc3cccc(c32)N1,CA,1
CCCC1C(=O)Nc2cccc3ncn(c23)C1=O,CI,0
C=CCC1C(=O)Nc2cccc3ncn(c23)C1=O,CI,0
C=C1C(O)OC2OC3(C)CCC4C(C)CCC1C24O3,CI,0
C=C1C(OO)OC2OC3(C)CCC4C(C)CCC1C24O3,CI,0
C=C1C(OC)OC2OC3(C)CCC4C(C)CCC1C24O3,CI,0
CC(=O)OCC1OC(N2C(=O)NC(=O)C3C=C4CCCCC4=CC32)C(OC(C)=O)C1OC(C)=O,CI,0
COCC1OC(N2C(=O)NC(=O)C3C=C4CCCCC4=CC32)C(OC)C1OC,CI,0
CC(=O)OCC1OC(N2C(=O)NC(=O)C3C=C4CCCCC4=CC32)CC1OC(C)=O,CI,0
C=CCC1C2CCC(O[Si](C(C)C)(C(C)C)C(C)C)(C(C(=O)OC)C2)C1O,CI,0
CC(C)[Si](OC12CCC(CC1O)CC2C(=O)O)(C(C)C)C(C)C,CI,0
CC(C)[Si](OC12CCC(CC1O)CC2CO)(C(C)C)C(C)C,CI,0
Cc1cnc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)S2(=O)=O,CI,0
O=C1c2cc([N+](=O)[O-])cnc2S(=O)(=O)N1c1ccc(Oc2ccccc2)cc1,CI,0
O=C1c2cccnc2S(=O)(=O)N1c1ccc(Oc2ccccc2)cc1,CI,0
COc1ccc(N2CCN(c3ccc4c(c3)NCC(=O)N4)CC2)cc1,CI,0
O=C1CNc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1,CI,0
O=C1CNc2cc(N3CCN(c4ccccc4)CC3)ccc2N1,CI,0
CC(N)=CC(=O)c1[nH]c(C(=O)O)cc1C1CCN(Cc2ccccc2)C1=O,CI,0
CCOC(=O)c1cc(C2CCN(Cc3ccccc3)C2=O)c(C(=O)C=C(C)N)[nH]1,CI,0
CCOC(=O)c1cc(C2CCN(Cc3ccccc3)C2=O)c(C(=O)C(=[N+]=[N-])C(C)=O)[nH]1,CI,0
CCCCN1CCC(O)(c2cc(C(=O)O)[nH]c2-c2cc(C)no2)C1=O,CI,0
CCOC(=O)c1cc(C2(O)CCN(CC(C)CC)C2=O)c(-c2cc(C)no2)[nH]1,CI,0
C=CCN1CCC(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O,CI,0
Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)NN=C(C#N)S2(=O)=O,CI,0
Cc1c2c(n(CCc3ccccc3)c1C)NN=C(C#N)S2(=O)=O,CI,0
Cc1c2c(n(CCc3ccccc3)c1C)N(C)N=C(C#N)S2(=O)=O,CI,0
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C(=O)OC)s1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)s1)C(=O)OCC,CI,0
CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(C(=O)OC)s1,CI,0
O=C1C(=Cc2ccc(OC(=O)c3ccccc3)cc2)CCCC1=Cc1ccc(OC(=O)c2ccccc2)cc1,CI,0
O=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)CCCC1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1,CI,0
Cc1ccc(C(=O)Oc2ccc(C=C3CCCC(=Cc4ccc(OC(=O)c5ccc(C)cc5)cc4)C3=O)cc2)cc1,CI,0
CC(=NNC(=S)N1CCCCC1)C(C)=NNC(=S)N1CCCCC1,CI,0
S=C(NN=CC=NNC(=S)N1CCCCC1)N1CCCCC1,CI,0
CC(C=NNC(=S)N1CCCCC1)=NNC(=S)N1CCCCC1,CI,0
Nc1c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1cccc(C(=O)O)c1,CI,0
COc1ccc(-c2c(N)n(-c3cccc(C(=O)O)c3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1,CI,0
COc1ccc(-c2c(N)n(-c3cc(OC)cc(OC)c3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1,CI,0
O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-],CI,0
COC(=O)C1=C(C(=O)OC)N(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-],CI,0
O=C(O)C1=CN(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-],CI,0
CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2,CI,0
CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cccc([N+](=O)[O-])c1O2,CI,0
CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2,CI,0
Cc1cc2c(c(C=Nc3ccc([N+](=O)[O-])cc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C,CI,0
Cc1cc2c(c(C=Nc3ccccc3O)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C,CI,0
Cc1cc2c(c(C=Nc3ccc(N(C)C)cc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C,CI,0
c1ccc2c(c1)NC1c3[nH]c4ccccc4c3CCC21,CI,0
CC(=O)N1c2ccccc2C2CCc3c([nH]c4ccccc34)C21,CI,0
Brc1ccc2c(c1)C1CCc3c([nH]c4ccccc34)C1N2,CI,0
Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(Br)cn23)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(NCCBr)cn23)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(NCCCBr)cn23)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3[nH]c(=O)c(Br)cn32)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3n(CCCCl)c(=O)ccn23)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3n(CC(O)CCl)c(=O)ccn23)n(C)c1=O,CI,0
Cc1[nH]c(N)c(C#N)c1Cc1ccccc1,CI,0
CCOC=Nc1[nH]c(C)c(Cc2ccccc2)c1C#N,CI,0
CCOC(=O)Nc1[nH]c(C)c(Cc2ccccc2)c1C#N,CI,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)n(CCCN(C)C)c(=S)n4CCCN(C)C.Cl,CI,0
CN(C)CCCn1c(=S)n(CCCN(C)C)c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32.Cl,CI,0
CN(C)CCCn1c(=S)n(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NNC1=O,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O,CI,0
CC1=NNC(=O)C1C1C(=O)NN=C(c2c[nH]c3ccccc23)C1Br,CI,0
COC(=O)C1=CC(=O)OC1(OO)c1ccccc1,CI,0
COC(=O)C1=C(C(=O)OC)C(OO)(c2ccccc2)OC1=O,CI,0
COC(=O)C1=CC(=O)OC1(OO)c1ccc(Br)cc1,CI,0
COc1nc(N(C)C)nc2c1n(C)c[n+]2C.[Cl-],CI,0
CNc1nc(OC)c2c(n1)[n+](C)cn2C.[Cl-],CI,0
COc1nc(N)nc2c1n(C)c[n+]2C.[Cl-],CI,0
Cc1ccc(NC(=O)c2ccccc2)c(=O)o1,CI,0
Cc1cc(C)c(NC(=O)c2ccccc2)c(=O)o1,CI,0
Cc1cc(C(C)(C)C)oc(=O)c1NC(=O)c1ccccc1,CI,0
CCN1C(=O)CSC1=NNC(=O)CSc1nc2ccccc2c(=O)n1CC,CI,0
C=CCN1C(=O)CSC1=NNC(=O)CSc1nc2ccccc2c(=O)n1CC,CI,0
CCN1C(=O)C(C)SC1=NNC(=O)CSc1nc2ccccc2c(=O)n1CC,CI,0
Cc1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,CI,0
COc1ccc(C2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn4nc(CC#N)nc4c32)cc1OC,CI,0
CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,CI,0
N#Cc1c(Cl)c2ccccc2n2c1nc1ccccc12,CI,0
N#Cc1c(OCCF)c2ccccc2n2c1nc1ccccc12,CI,0
N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2n2c1nc1ccccc12,CI,0
N#Cc1c(=O)c2ccccc2n2c1[nH]c1ccccc12,CI,0
Cn1c2ccccc2n2c3ccccc3c(=O)c(C#N)c12,CI,0
N#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2c1[nH]c1ccccc12,CI,0
CN(C)CCON=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1,CI,0
CC(=O)OC1CCC2C3CCC4=CC(=NOCCN(C)C)CCC4(C)C3CCC12C.O=C(O)C(=O)O,CI,0
C#CC1(O)CCC2C3CCC4=CC(=NOCCN(C)C)CCC4(C)C3CCC21C,CI,0
CCCNC(=O)N(C)C(=O)N1N=C(c2ccccc2)C1c1ccccc1,CI,0
CC(C)(C)NC(=O)N1N=C(c2ccccc2)C1c1ccccc1,CI,0
COC(=O)N1N=C(c2ccccc2)C1c1ccccc1,CI,0
COc1ccc(-n2c(=O)n(C)c(=O)n2-c2ccc(OC)cc2)cc1,CI,0
COc1ccc(-n2c(=O)n(C)c(=O)n2-c2c(C)c(C)c(C)c(C)c2C)cc1,CI,0
Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(C)c1C,CI,0
OCC(O)C(O)C(O)C(C=NNc1nc(O)c2ccccc2n1)=NNc1nc(O)c2ccccc2n1,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)=NNc1nc(O)c2ccccc2n1,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)=NNc1nc(O)c2ccccc2n1,CI,0
COc1cc(C2OC(N)=C(C#N)C3=C2C(C)CCC3)cc(OC)c1OC,CI,0
COc1ccc(C2OC(N)=C(C#N)C3=C2C(C)CCC3)cc1OC,CM,1
COc1ccc(C2OC(N)=C(C#N)C3=C2CCCC3C)cc1OC,CI,0
CC1CCC(=Cc2ccc(Cl)cc2)C2OC(N)=C(C#N)C(c3ccc(Cl)cc3)=C12,CI,0
COc1cc(C=C2CCC(C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)OC23)cc(OC)c1OC,CI,0
COc1ccc(C=C2CCC(C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)OC23)cc1OC,CI,0
CC1CCC(=Cc2ccc(Cl)cc2)c2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c21,CI,0
COc1ccc(C=C2CCC(C)c3c2nc(N)c(C#N)c3-c2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1cc(C=C2CCC(C)c3c2nc(N)c(C#N)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
O=C(CN1CCOCC1)c1ccc2[nH]c(=O)oc2c1,CI,0
CN(C)CCn1c(=O)oc2cc(C(=O)CN3CCOCC3)ccc21,CI,0
NC(=O)Cn1c(=O)oc2cc(C(=O)CN3CCOCC3)ccc21,CI,0
CSc1nn(C)cc2ncnc1-2,CI,0
C=CCSc1nn(CC=C)cc2ncnc1-2,CI,0
CSc1nn(C)cc2nc(C)nc1-2,CI,0
COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2C4)cc1,CI,0
Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2C4)cc1,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)-c1ccccc1C3,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCCC3,CI,0
Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCC4)cc1,CI,0
N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCCC3,CI,0
O=C(NN=Cc1cccs1)c1ccncc1,CI,0
O=C(NN=Cc1ccc([N+](=O)[O-])s1)c1ccncc1,CI,0
Cc1ccc(C=NNC(=O)c2ccncc2)s1,CI,0
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(C)C2,CI,0
CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCN(C)C2,CI,0
CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCN(C)C2,CI,0
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2,CI,0
CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCCC2,CI,0
CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2,CI,0
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2,CI,0
CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2,CI,0
CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2,CI,0
O=C(c1ccc(Cl)cc1)N(C(=O)N1CCCCC1)c1ccccc1,CI,0
O=C(c1ccc(Cl)cc1Cl)N(C(=O)N1CCCCC1)c1ccccc1,CI,0
COc1cc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc(OC)c1OC,CI,0
CC1(C)OC(=O)c2cc(C(=CCCO)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1,CI,0
CC1(C)OC(=O)c2cc(C(=CCCBr)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1,CI,0
CC1(C)OC(=O)c2cc(C(=CC=O)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1,CI,0
CC(=O)Oc1c(C)c2c(c3ncccc13)OC(C)C2,CI,0
COC1Cc2c(C)c(OC(C)=O)c3cccnc3c2O1,CI,0
CC(=O)Oc1cc2c(c3ncccc13)OC(C)(C)C2,CI,0
O=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccccc2)cc1,CI,0
O=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1,CI,0
COc1ccc(C=CC(=O)c2ccc(OC(=O)C=Cc3ccccc3)cc2)cc1,CI,0
CC(CCC1=NCCN1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0
CC(CCC1=NCCN1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CI,0
CC(CCC1=NCCN1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
O=C(CCc1ccc(O)cc1)NCCCNC(=O)CCc1ccc(O)cc1,CI,0
O=C(CCc1cccc(O)c1)NCCCNC(=O)CCc1cccc(O)c1,CI,0
O=C(CCc1cc(O)cc(O)c1)NCCCNC(=O)CCc1cc(O)cc(O)c1,CI,0
Fc1ccc(C=C2COCC3=C2NC(=S)NC3c2ccc(F)cc2)cc1,CI,0
S=C1NC2=C(COCC2=Cc2cccc(Cl)c2)C(c2cccc(Cl)c2)N1,CI,0
S=C1NC2=C(COCC2=Cc2ccccc2Cl)C(c2ccccc2Cl)N1,CI,0
CCOC(=O)C12C3CCC1C2C(=O)C3,CI,0
COC(=O)C12C(=O)CC3CCC1C32C(=O)OC,CI,0
O=CC12C3CCC1C2C(=O)C3,CI,0
CC[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21,CI,0
CC(C)[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21,CI,0
CC(C)C[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21,CI,0
N#CCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1,CI,0
NCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1,CI,0
N#CCCNCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1,CI,0
O=c1[nH]c(=O)n(COCc2ccccc2)c2ccccc12,CI,0
O=c1[nH]c(=O)n(COCc2ccccc2)c2ccc(Br)cc12,CI,0
O=c1[nH]c(=O)n(COCc2ccccc2)c2ccc([N+](=O)[O-])cc12,CI,0
Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2=S)cc1,CI,0
COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2=S)cc1,CI,0
Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2=S)cc1C,CI,0
O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)CC2c2ccc(Cl)cc2)c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)CC2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1,CI,0
CN(C)c1ccc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CI,0
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(OC)cc3OC2c2ccc(OC)cc2)cc1,CI,0
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1,CI,0
COc1ccc(C2Oc3cc(OC)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(OC)cc3OC2c2ccc(O)cc2)cc1,CI,0
CSc1c(C(=O)Nc2ccc(C)cc2)c(=N)[nH]n1-c1ccccc1,CI,0
CSc1c(C(=O)Nc2ccccc2)c(=N)[nH]n1-c1ccccc1,CI,0
CSc1c(C(=O)Nc2ccc(Cl)cc2)c(=N)[nH]n1-c1ccccc1,CI,0
COc1ccc(N2C(=O)C(C#N)=C(SC)C(C#N)C2=O)cc1,CI,0
CSC1=C(C#N)C(=O)N(c2ccc(Cl)cc2)C(=O)C1C#N,CI,0
CSC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=O)C1C#N,CI,0
Cc1ccc(C(=O)C2=CN=C3C(=O)N(c4ccccc4)N(C)C3(C)C2=N)cc1,CI,0
CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccc(Cl)cc3)C(=N)C21C,CI,0
CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccccc3)C(=N)C21C,CI,0
Cc1c(NC=C(C#N)C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1ccc(C(=O)C(C#N)=CNc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0
CCOC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)c1ccccc1,CI,0
CC(C)CC(NC(=O)C(CCI)Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
CC(C)CC(NC(=O)C(CI)Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
CC(C)CC(NC(=O)C(C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
CCCCCCCCCCCCCCCC(=O)Nc1nc(=O)n(C2CCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])O2)cc1C,CA,1
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])O2)cc1F,CM,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3F)O2)c(=O)n1,CA,1
CCOC(=O)c1[nH]cc(C)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-],CI,0
Cc1c[nH]c(C(=O)O)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-],CI,0
CCOC(=O)c1c[nH]c(C(=O)OCC)c1-c1cccn1-c1ccccc1,CI,0
Cn1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O,CI,0
COc1ccc(-c2c(-c3ccc(OC)cc3)n3c(=O)n(C)c(=O)n23)cc1,CI,0
CC(C)(C)n1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O,CI,0
COc1cc2c(cc1OC)CN1CCc3ccccc3CC1C2,CI,0
COc1ccc2c(c1)CC1Cc3ccccc3CCN1C2,CI,0
COc1ccc2c(c1)CC1Cc3cc(OC)c(OC)cc3CN1CC2,CI,0
CCC(C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)C(CC)O2,CI,0
CCC1Oc2c(CC=C(C)C)c(O)c(C(O)C(C)CC)c3oc(=O)cc1c23,CI,0
CCC1Oc2c(CC=C(C)C)c(OC(C)=O)c(C(OC(C)=O)C(C)CC)c3oc(=O)cc1c23,CI,0
COc1nc2c(c(=O)n1C)N=C(c1ccccc1)C(C(CC(=O)c1ccccc1)c1ccccc1)C(c1ccccc1)N2,CI,0
CSc1nc2c(c(=O)n1C)N=C(c1ccccc1)C(C(CC(=O)c1ccccc1)c1ccccc1)C(c1ccccc1)N2,CI,0
COc1ccc(C(=O)CC(c2ccccc2)C2C(c3ccc(OC)cc3)=Nc3c(nc(SC)n(C)c3=O)NC2c2ccccc2)cc1,CI,0
COc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2,CI,0
CSc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2,CI,0
CSc1nc2c(c(=O)n1C)N=C(c1ccc([N+](=O)[O-])cc1)CC(c1ccccc1)N2,CI,0
COc1ccc(COCCC(C)OC2OC(CO)C(O)C(O)C2O)cc1,CI,0
COc1ccc(COCCC(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)cc1,CI,0
COc1ccc(COCCC(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(OC(=O)CCCN=[N+]=[N-])C(OC(=O)CCCN=[N+]=[N-])C2OC(=O)CCCN=[N+]=[N-])cc1,CI,0
NC1=CN(Cc2ccccc2)C2=NC(=Cc3ccccc3O)C(=O)N12,CI,0
COc1ccc(C=C2N=C3N(Cc4ccccc4)C=C(N)N3C2=O)cc1,CI,0
NC1=CN(Cc2ccccc2)C2=NC(=Cc3ccccc3)C(=O)N12,CI,0
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1,CI,0
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=Cc1ccccc1O)NC(=O)c1ccccc1,CI,0
O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1,CI,0
CC(=O)c1c(-c2ccccc2)c(-c2ccc(OCCN(C)C)cc2)n2ccccc12,CI,0
Cc1c(-c2ccccc2)c(-c2ccc(OCCN(C)C)cc2)n2ccccc12,CI,0
COc1ccc(-c2c(-c3ccccc3)c(C)c3ccccn23)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4nc(N)nc(Cl)c43)CC2Oc2ccc(C)cc2)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4nc(Cl)nc(Cl)c43)CC2Oc2ccc(C)cc2)cc1,CI,0
CSc1nc(Br)nc2ncn(C3CC(Oc4ccc(C)cc4)C(COc4ccc(C)cc4)O3)c12,CI,0
COc1ccc(-c2nc3ccccc3c(=S)n2OC(C)=O)cc1,CI,0
CC(=O)On1c(-c2ccccc2)nc2ccccc2c1=S,CI,0
On1c(-c2ccccc2)nc2ccccc2c1=S,CI,0
COc1cccc(CC2C(=O)NC(=O)NC2=O)c1,CI,0
O=C1NC(=O)C(Cc2cccc(Cl)c2)C(=O)N1,CI,0
COc1ccc(CC2C(=O)NC(=O)NC2=O)cc1OC,CI,0
O=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccccc1,CI,0
Cc1ccc(C=C2N=C(NN=Cc3ccccc3)NC2=O)cc1,CI,0
O=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccc(Cl)cc1,CI,0
N#Cc1nc(C(O)c2ccccc2)oc1N,CI,0
N#Cc1nc(Cc2ccccc2)oc1N,CI,0
COC(c1ccccc1)(c1nc(C#N)c(N)o1)C(F)(F)F,CI,0
Cc1ccc(C=CC(=O)c2c([O-])on[n+]2-c2ccccc2)cc1,CI,0
O=C(C=Cc1ccc(C(F)(F)F)cc1)c1c([O-])on[n+]1-c1ccccc1,CI,0
COc1cc(C=CC(=O)c2c([O-])on[n+]2-c2ccccc2)ccc1O,CI,0
CC1=CCC2(C)CCC(O)(C(C)C)C2C(OC(=O)c2ccccc2)C1,CI,0
COc1cc(C(=O)OC2CC(C)=CCC3(C)CCC(O)(C(C)C)C23)ccc1O,CI,0
CC1=CCC2(C)CCC(O)(C(C)C)C2C(OC(=O)c2ccc(O)cc2)C1,CI,0
NNC1=NC(=Cc2ccco2)C(Cl)=N1,CI,0
CCSC1=NC(=Cc2ccco2)C(Cl)=N1,CI,0
CCSC1=NC(=Cc2ccco2)C(NN)=N1,CI,0
OCCCNC1=NC(=Cc2ccccc2)C(Cl)=N1,CI,0
COc1ccc(C=C2N=C(NN)N=C2Cl)cc1,CI,0
CCSC1=NC(=Cc2ccccc2O)C(Cl)=N1,CM,1
NC1=C(N2CCOCC2)C(=O)NC2=NC(=Cc3ccccc3)C(=O)N21,CI,0
NC1=C(N2CCOCC2)C(=O)NC2=NC(=Cc3ccccc3O)C(=O)N21,CI,0
COc1ccc(C=C2N=C3NC(=O)C(N4CCOCC4)=C(N)N3C2=O)cc1,CI,0
O=C1NC(=S)NC1C(Cc1ccccc1)c1ccccc1,CI,0
COc1ccc(C(Cc2ccccc2)C2NC(=S)NC2=O)cc1,CI,0
CN(C)c1ccc(C(Cc2ccccc2)C2NC(=S)NC2=O)cc1,CI,0
CCC(c1ccccc1)C1NC(=S)NC1=O,CI,0
CCC(c1ccc(OC)cc1)C1NC(=S)NC1=O,CI,0
CCC(c1ccc(N(C)C)cc1)C1NC(=S)NC1=O,CI,0
N#CC1=C(N)N2C(=O)C(=Cc3ccccc3O)N=C2S1,CI,0
CCOC=NC1=C(C#N)SC2=NC(=Cc3ccccc3)C(=O)N21,CI,0
CCOC=NC1=C(C#N)SC2=NC(=Cc3ccc(OC)cc3)C(=O)N21,CI,0
S=C(N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,CI,0
S=C(N1CCN(c2cccc(Cl)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1,CI,0
S=C(N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CI,0
Cc1ccc(Cc2nn(C)c(=O)n2-n2cccc2)cc1,CI,0
Cc1ccc(C)n1-n1c(Cc2ccccc2)n[nH]c1=O,CI,0
Cc1ccc(C)n1-n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
CCCCc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
CC(=O)Nc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)cc1,CI,0
Cn1c(=O)cc(Nc2ccc(N)cc2)[nH]c1=O,CI,0
Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1,CI,0
Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(F)cc3)[nH]2)cc1,CI,0
Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1O,CI,0
S=C1c2ccc(Cl)cc2-n2cnnc2C2CSCN12,CI,0
Cc1ccc2c(c1)C(=S)N1CSCC1c1nncn1-2,CI,0
Cc1nnc2n1-c1ccccc1C(=S)N1CSCC21,CI,0
Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3cc(C=O)ccc3c21,CI,0
Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3ccccc3c21,CI,0
Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3cc(Cl)c(Cl)cc3c21,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=CCCC=Nn1c(Cc2ccccc2)n[nH]c1=O,CI,0
Cc1ccc(Cc2n[nH]c(=O)n2N=CCCC=Nn2c(Cc3ccc(C)cc3)n[nH]c2=O)cc1,CI,0
O=c1[nH]nc(Cc2ccc(Cl)cc2)n1N=CCCC=Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
O=C1C=CC(=O)N1n1c(-c2ccccc2)n[nH]c1=O,CM,1
Cc1ccc(-c2n[nH]c(=O)n2N2C(=O)C=CC2=O)cc1,CM,1
CC1=CC(=O)N(n2c(-c3ccccc3)n[nH]c2=O)C1=O,CI,0
O=C1Oc2ccccc2NC1=CC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
O=C1Oc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(C(=O)C=C2Nc3ccccc3OC2=O)cc1,CI,0
c1ccc2nn(C3CCCCO3)nc2c1,CI,0
Clc1cc2nn(C3CCCCO3)nc2cc1Cl,CI,0
Cc1cc2nn(C3CCCCO3)nc2cc1C,CI,0
c1ccc2c(c1)nnn2C1CCCCO1,CI,0
Clc1cc2nnn(C3CCCCO3)c2cc1Cl,CI,0
Cc1cc2nnn(C3CCCCO3)c2cc1C,CI,0
c1ccc2c(c1)ncn2C1CCCCO1,CI,0
Clc1cc2ncn(C3CCCCO3)c2cc1Cl,CI,0
Cc1cc2ncn(C3CCCCO3)c2cc1C,CI,0
CN1C(=O)c2ccccc2C(O)(c2ccccc2)C1(O)c1ccccc1,CI,0
Cc1ccc(C2(O)c3ccccc3C(=O)N(C)C2(O)c2ccc(C)cc2)cc1,CI,0
COc1ccc(C2(O)c3ccccc3C(=O)N(C)C2(O)c2ccc(OC)cc2)cc1,CI,0
C[N+](C)(CCNC(=O)c1cccc2cc3ccccc3nc12)Cc1ccc([N+](=O)[O-])cc1.[Br-],CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3nc12.[Cl-],CI,0
COCC[N+](CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)(CCOC)Cc1ccc([N+](=O)[O-])cc1.Cl.[Cl-],CI,0
Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1,CI,0
N#Cc1c2c(c(Nc3ccc(Cl)cc3)n3c1nc1ccccc13)CCCC2,CI,0
N#Cc1c2c(c(Nc3ccc(F)cc3)n3c1nc1ccccc13)CCCC2,CI,0
COc1ccc(N=NC(=NNC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1,CI,0
Cc1ccc(N=NC(=NNC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1,CI,0
N#CC12COC3(CCCCC3C1(C#N)C#N)OC2=N,CI,0
CC1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3,CI,0
CC(C)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3,CI,0
O=c1c2c(oc3ccccc13)-c1ccccc1OC2,CI,0
COc1ccc2c(c1)-c1oc3ccccc3c(=O)c1CO2,CI,0
COc1ccc2c(c1)OCc1c-2oc2ccccc2c1=O,CI,0
CN1C(=O)C(=CNc2ccccc2[N+](=O)[O-])C(=O)N(C)C1=O,CI,0
CN1C(=O)C(=CNc2ccccc2Cl)C(=O)N(C)C1=O,CI,0
CN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O,CI,0
Cc1cc2c(cc1Cl)Sc1nccn1S2(=O)=O,CM,1
N#Cc1cc2c(cc1Cl)Sc1nccn1S2(=O)=O,CI,0
CCCCNC(=O)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O,CI,0
Cc1ccc(NC(=O)c2cc(S(=O)(=O)n3cc[nH]c3=O)c(S)cc2Cl)cc1,CI,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)n2cc[nH]c2=O)c(S)cc1Cl,CI,0
CSc1cc(Cl)c(C(=O)Nc2ccccc2)cc1S(=O)(=O)n1cc[nH]c1=O,CI,0
Cc1cc(S(=O)(=O)n2cc[nH]c2=O)c(S)cc1Cl,CI,0
CSc1cc(Cl)c(C)cc1S(=O)(=O)n1cc[nH]c1=O,CI,0
CCCCNC(=O)c1cc(S(=O)(=O)n2cc[nH]c2=O)c(SC)cc1Cl,CI,0
CCCCCCCCCCCCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,CI,0
CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,CI,0
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccnc2nc3[nH]c4ccccc4c3cc12,CI,0
CC(=O)Nc1ccc2c(C)c3c(nc2n1)[nH]c1ccccc13,CI,0
CC(=O)Nc1ccc2c(C)c3c4ccccc4n(C)c3nc2n1,CI,0
Cc1cc2nc3ccccc3n2c2nc(N)ccc12,CI,0
Cc1ccnc2c1ccc1nc3ccccc3n12,CI,0
N#Cc1c(Cl)c2cccnc2n2c1nc1ccccc12,CI,0
CC(C)(C)c1ccc(-n2c3nc(=O)n(-c4ccccc4CO)c(=O)c-3cc3ccccc32)cc1,CI,0
CC(C)(C)c1ccc(-n2c3nc(=O)n(-c4ccccc4C(F)(F)F)c(=O)c-3cc3ccccc32)cc1,CI,0
Cc1ccccc1-n1c(=O)nc2n(-c3ccc(C(C)(C)C)cc3)c3ccccc3cc-2c1=O,CI,0
Cc1nc2c(=O)[nH]c(=O)nc-2n(CCO)c1C,CI,0
Cn1c(=O)nc2n(CCO)ccnc-2c1=O,CI,0
Cc1nc2c(=O)n(C)c(=O)nc-2n(CCO)c1C,CI,0
O=C1C=CC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0
CC1=CC(=O)N(n2c(Cc3ccccc3)n[nH]c2=O)C1=O,CI,0
CC1=CC(=O)N(n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)C1=O,CI,0
COC(O)C12OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC3C1Oc1nc(=O)ccn12,CI,0
COC(=O)C12OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC3C1Oc1nc(=O)ccn12,CI,0
CC(C)[Si]1(C(C)C)OCC2OC3(CO)C(Oc4nc(=O)ccn43)C2O[Si](C(C)C)(C(C)C)O1,CI,0
Cn1c(=O)c2c3ccccc3n(C)c2n(C)c1=O,CI,0
Cc1ccc2[nH]c3c(c(=O)n(C)c(=O)n3C)c2c1,CI,0
Cn1c(=O)[nH]c2[nH]c3ccccc3c2c1=O,CI,0
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1CCSC,CI,0
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1CCSC,CI,0
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1CCS(C)=O,CI,0
NC(=O)Nc1ccc(C(=O)NCCCNC(=O)c2ccc(NC(N)=O)cc2)cc1,CI,0
CC(CNC(=O)c1ccccc1)(CNC(=O)c1ccccc1)[N+](=O)[O-],CI,0
O=C(NCCCNC(=O)c1ccccc1O)c1ccccc1O,CI,0
CN1CCCOC(c2ccc(Cl)cc2)O1,CI,0
CN1CCCOC(c2ccc([N+](=O)[O-])cc2)O1,CI,0
CC(C)N1CCCOC(c2ccc([N+](=O)[O-])cc2)O1,CI,0
N#CC12CNCC1CN=N2,CI,0
Br.C=CCN1CC2CN=NC2(C#N)C1,CI,0
CC(=O)CCN1CC2CN=NC2(C#N)C1,CI,0
CCOC(=O)C1C(=O)CC(O)(c2ccccc2)C(C(=O)OCC)C1c1ccc(OC)cc1,CI,0
CCOC(=O)C1C(=O)CC(O)(c2ccccc2)C(C(=O)OCC)C1c1ccc(N(C)C)cc1,CI,0
C=CCOc1ccc(C2C(C(=O)OC)C(=O)CC(O)(c3ccccc3)C2C(=O)OC)cc1OC,CI,0
CCOc1cc2c(cc1O)C(=O)CC1C2CCC2(C)C(O)CCC12,CI,0
CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=O)CC3C1CCC2O,CI,0
CC(=O)Oc1cc2c(cc1OCC(F)(F)F)C1CCC3(C)C(OC(C)=O)CCC3C1CC2=O,CI,0
CC(C)=CCCC(C)=CCCC1(C)OC(=O)C2CC21,CI,0
CC(C)=CCCC1(C)C2COC(=O)C21,CI,0
CC(C)=CCCC(C)=CCCC1(C)C2COC(=O)C21,CI,0
O=C1C(=Cc2ccc(Br)s2)NC(=S)N1CN1CCCCC1,CI,0
O=C1C(=Cc2cccs2)NC(=S)N1CN1CCCC(CO)C1,CI,0
O=C1C(=Cc2cccs2)NC(=S)N1CN1CCCCC1,CI,0
Cc1nc2ccc(NC(=S)Nc3ccccc3)cc2c(=O)n1-c1ccccc1,CI,0
Cc1cccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)c1,CI,0
COc1ccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)cc1,CI,0
O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CI,0
COc1ccc(-c2nnc3n(Cc4ccccc4)c4ccccc4n3c2=O)cc1,CI,0
O=c1c(-c2ccc(Cl)cc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CI,0
COc1ccc(C2N(c3ccc(C)c(N=C=O)c3)C(=O)N3C(c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1,CI,0
COc1ccc(C2N(c3ccc(F)cc3)C(=O)N3C(c4ccc(OC)cc4)N(c4ccc(F)cc4)C(=O)N23)cc1,CI,0
COc1ccc(C2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3C(c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1,CI,0
C=CCOC1=C(OC(C)=O)C(C2COC(C)(C)O2)OC1=O,CI,0
C=CCOC1=C(OCC=C)C(C2COC(C)(C)O2)OC1=O,CI,0
C=CCOC1=C(OC(C)=O)C(=O)OC1C1COC(C)(C)O1,CI,0
CCn1c(=O)c(N=O)c(N)n(C2CC2)c1=O,CI,0
O=c1ccn(C2CC2CO)c(=O)[nH]1,CI,0
Cc1cn(C2CC2CO)c(=O)[nH]c1=O,CI,0
CC(=O)OCCn1cnc2nc(Nc3ccccc3)nc(Cl)c21,CI,0
CC(=O)OCCCCn1cnc2nc(Nc3ccccc3)nc(Cl)c21,CI,0
CCCCc1ccc(Nc2nc(Cl)c3c(ncn3COCCOC(C)=O)n2)cc1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1,CI,0
CC(=O)Oc1cc(C=C(C#N)C(=O)NCCCCCNC(=O)C(C#N)=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O,CI,0
NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)cccc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)cccc23)cc1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1,CI,0
NS(=O)(=O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
O=C(O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
CN1CCN(CCCCN2c3ccccc3Sc3ccc(N=[N+]=[N-])cc32)CC1.O=C(O)C=CC(=O)O,CI,0
CC(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1,CI,0
CN1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1.O=C(O)C=CC(=O)O,CI,0
N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
CC(=O)Oc1cc(C=C(C#N)C(=O)NCCCCNC(=O)C(C#N)=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(N)=O,CI,0
NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)O,CI,0
OCC1c2ccccc2-n2nc(-c3ccccc3)c(O)c21,CI,0
CC(=O)C(C(C)=O)C1c2ccccc2-n2nc(-c3ccccc3)c(O)c21,CI,0
CC(=O)OCCC1c2ccccc2-n2nc(-c3ccccc3)c(O)c21,CI,0
Nc1nc(Cl)cc(OCC2CC(O)(CO)C2)n1,CI,0
Nc1nc(Cl)cc(OCC2(CO)CCC2)n1,CI,0
COC1(OC)CC(CO)(COc2cc(Cl)nc(N)n2)C1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CCCCC2)n1,CI,0
CC(O)C1(CNc2cc(Cl)nc(N)n2)CCCCC1,CI,0
Oc1cc(NCC2CCCCC2)nc(O)n1,CI,0
Nc1nccc(NCC2(CO)CC(OCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(OCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)c(N)c(NCC2(CO)CC(OCc3ccccc3)C2)n1,CI,0
CN(N=Cc1ccc2ccccc2c1)C1=NCCN1.I,CI,0
C(=NNC1=NCCN1)c1ccc2ccccc2c1.I,CI,0
I.OCCN(N=Cc1ccc2ccccc2c1)C1=NCCN1,CI,0
CCOC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0
CCN(CC)CCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0
CN(C)CCCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0
CCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21,CI,0
CC(C)CCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21,CI,0
CCCCCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21,CI,0
CSc1nc2c(=O)oc(-c3ccc(Cl)cc3)nc2s1,CI,0
CSc1nc2c(=O)oc(-c3ccccc3)nc2s1,CI,0
CSc1nc2c(=O)oc(-c3ccc([N+](=O)[O-])cc3)nc2s1,CI,0
CCN(CC)CCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CI,0
CCN(CC)CCCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CI,0
Cn1c(=O)c2c(nc3n(C)c(=O)c4ccccc4n23)n(C)c1=O,CI,0
CC(=O)OC1CC(C)C2(CC(c3ccoc3)OC2=O)C2CCC(O)C3(CO3)C12CO,CI,0
CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(O)C21CO1,CI,0
CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(OC(C)=O)C21CO1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1Nc1ccccc1,CI,0
Cc1ccc(Cc2n[nH]c(=O)n2Nc2ccccc2)cc1,CI,0
O=c1[nH]nc(Cc2ccc(Cl)cc2)n1Nc1ccccc1,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F,CI,0
O=C(NC(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)(C(F)(F)F)C(F)(F)F)c1ccccc1,CI,0
C[Si](C)(OCCS(=O)(=O)O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O.[NaH],CI,0
CC(=O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O,CI,0
Cc1ccc2ccccc2c1CC1S(=O)(=O)OCCOS1(=O)=O,CI,0
Cc1ccc2c(c1)C(=O)C(=NNc1ccc(Cl)cc1)CCO2,CI,0
COc1ccc(NN=C2CCOc3ccc(C)cc3C2=O)cc1,CI,0
Cc1cc2c(cc1C)C(=O)C(=NNc1ccc(F)cc1)CCO2,CI,0
BrC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1,CM,1
C(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1,CI,0
ClC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1,CI,0
c1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1,CI,0
Cc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1,CI,0
Clc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1,CI,0
Cc1cc(S(=O)(=O)N=c2nc(Nc3ccccc3)[nH]n2C)c(S)cc1Cl,CI,0
Cc1ccc(Nc2nc(=NS(=O)(=O)c3cc(C)c(Cl)cc3S)n(C)[nH]2)cc1,CI,0
Cc1cc(S(=O)(=O)N=c2nc(Nc3ccc(Cl)cc3)[nH]n2C)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC2=NCCCN2)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)NC2=NCC(C)(C)CN2)c(S)cc1Cl,CI,0
CCC1CCN=C(NS(=O)(=O)c2cc(C)c(Cl)cc2S)N1,CI,0
COc1c(C(=O)C(=NNc2ccc(C(=O)O)cc2)C(C)=O)c(O)cc2occc12,CI,0
COc1c(C(=O)C(=NNc2cccc(Cl)c2)C(C)=O)c(O)c(OC)c2occc12,CI,0
COc1c(C(=O)C(=NNc2ccccc2)C(C)=O)c(O)c(OC)c2occc12,CI,0
Cc1nc(C)c(N2CCN(Cc3ccccc3)CC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCN(Cc3ccccc3)CC2)c(O)n1,CI,0
Cc1nc(N)nc(N)c1N1CCN(Cc2ccccc2)CC1,CI,0
COc1ccc(C2(O)C(S(=O)(=O)c3ccc(C)cc3)=Cc3ccc(OC)cc32)cc1,CI,0
Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3C2(O)c2cccc(C(F)(F)F)c2)cc1,CI,0
Cc1ccc(S(=O)(=O)C2=Cc3ccccc3C2(O)c2ccccc2)cc1,CI,0
CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=CC(C)=NN(C)C(=S)N21,CI,0
CCOC(=O)C1=NN(c2ccc(C)cc2)C2=CC(C)=NN(C)C(=S)N21,CI,0
CCOC(=O)C1=NN(c2ccccc2)C2=CC(C)=NN(C)C(=S)N21,CI,0
CCOC(=O)C(=NNc1ccc(Cl)cc1)N1C(=S)N(C)N=C(C)C=C1S,CI,0
CCOC(=O)C(=NNc1ccc(C)cc1)N1C(=S)N(C)N=C(C)C=C1S,CI,0
CCOC(=O)C(=NNc1ccccc1)N1C(=S)N(C)N=C(C)C=C1S,CI,0
COc1c(C(C)C)cc(O)c2c1CCC1C(C)=C(C(=O)O)CCC21C,CI,0
CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)C)c(O)c3CCC12,CI,0
COc1c(C(C)C)ccc2c1CCC1C(C)=C(C(=O)O)CCC21C,CI,0
CCn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=O,CI,0
CCn1c(=O)c2nc(SC)sc2n(-c2ccc(C)cc2)c1=O,CI,0
CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=O,CI,0
CCn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=S,CI,0
CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=S,CI,0
CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccc(C)cc2)c1=S,CI,0
CCOC(=O)c1ccc(N2C(=S)N(C(=O)c3ccccc3)C(=Nc3ccccc3)C2=Nc2ccccc2)cc1,CI,0
O=C(c1ccccc1)N1C(=S)N(c2ccc([N+](=O)[O-])cc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
Cc1ccc(N=C2C(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C(=S)N2C(=O)c2ccccc2)cc1,CI,0
NS(=O)(=O)c1ccc(N2C(=O)C(=O)N(c3ccccc3)C2=S)cc1,CI,0
COc1ccc(N2C(=O)C(=O)N(c3ccccc3[N+](=O)[O-])C2=S)cc1,CI,0
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N1c1ccccc1,CI,0
N#Cc1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC(=O)c1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
N#Cc1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccccc1,CI,0
COc1ccc(C(=O)Sc2c(-c3ccccc3)c(=O)n(-c3ccccc3)c(=S)n2-c2ccccc2)cc1,CI,0
O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccc(Cl)cc1,CI,0
CN1CC2C(C1=O)C(c1ccccc1)ON2C,CI,0
CN1CC2C(C1=O)C(c1ccc([N+](=O)[O-])cc1)ON2C,CI,0
COc1ccc(C2ON(C)C3CN(C)C(=O)C23)cc1,CI,0
O=C1NC2c3c(Br)sc(Br)c3C(=O)C2O1,CI,0
O=C1NC2c3c(Cl)sc(Cl)c3C(=O)C2O1,CI,0
O=C1NC2c3c(I)sc(I)c3C(=O)C2O1,CI,0
O=c1ccn(C2CC(F)C(CO)S2)c(=O)[nH]1,CI,0
O=c1ccn(C2SC(CO)CC2F)c(=O)[nH]1,CI,0
CCc1cn(C2CC(CO)C(CO)S2)c(=O)[nH]c1=O,CI,0
Cc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(C)cc4O)n3N)n2N)c(O)c1,CI,0
Cc1cccc(O)c1-c1nnc(CCCCCCCCc2nnc(-c3c(C)cccc3O)n2N)n1N,CI,0
COc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(OC)cc4)n3N)n2N)cc1,CI,0
Cc1ccc(C=C2C=C3OC(=O)c4cccc(c43)C2=O)cc1,CI,0
O=C1OC2=CC(=Cc3ccccc3)C(=O)c3cccc1c32,CI,0
O=C1OC2=CC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc1c32,CI,0
COc1cc2c3c(c1)nnn3C(=O)CS2,CI,0
COc1cc2c3c(c1)nnn3C(=O)C(C)S2,CI,0
CCCCC1Sc2cc(OC)cc3nnn(c23)C1=O,CI,0
O=C1c2ccccc2CC12Cc1cc3c(cc1C2=O)CCC3,CI,0
Cc1cc2c(cc1C)C(=O)C1(C2)Cc2cc3c(cc2C1=O)CCC3,CI,0
Cc1ccc2c(c1C)C(=O)C1(Cc3cc4c(cc3C1=O)CCC4)C2,CI,0
O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3,CI,0
COC(=O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3,CI,0
COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(c(C(=O)OC)c2C1)CCCC3,CI,0
O=C1CCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3,CI,0
CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3,CI,0
CCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,CI,0
CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1,CI,0
COC(=O)c1ccccc1C=C1Cc2cc3c(cc2C1=O)CCC3,CI,0
O=C(O)c1ccccc1C=C1Cc2cc3c(cc2C1=O)CCC3,CI,0
COC(=O)c1ccccc1C=C1Cc2c(C)c3c(c(C)c2C1=O)CCC3,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1O,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1,CI,0
O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1,CI,0
O=C1c2c(ccc3c2CCC3)CC12Cc1cc3c(cc1C2)CCC3,CI,0
CC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2,CI,0
COC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2,CI,0
O=C1c2c(ccc3c2CCC3)CC12Cc1ccccc1C2,CI,0
CC(=O)c1cccc2c1CC1(C2)Cc2ccc3c(c2C1=O)CCC3,CI,0
CC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1=O)CCC3,CI,0
CC1(C)N=c2c(ncn2-c2ccccc2)=C(C(N)=O)N1,CI,0
COc1ccccc1-n1cnc2c1=NC(C)(C)NC=2C(N)=O,CI,0
COc1ccc(-n2cnc3c2=NC(C)(C)NC=3C(N)=O)c(OC)c1,CI,0
Br.CN1C(C)(C)C(Br)C(=O)C(Br)C1(C)C,CI,0
Br.CN1C(C)(C)CC(=O)C(Br)C1(C)C,CI,0
CCCCCCCCCN1CCC(=O)C(C(=O)OC)C1,CI,0
O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccccc1,CI,0
O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
CCCCNC(=O)OCCN=c1c2ccccc2ccc2ccccc12,CI,0
CC(C)NC(=O)OCCN=c1c2ccccc2ccc2ccccc12,CI,0
CCOC(=O)CON=c1c2ccccc2ccc2ccccc12,CI,0
CC(C)NC(=O)OCCN=C1c2ccccc2CCc2ccccc21,CI,0
CCCCNC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c2ccccc21,CI,0
CC(C)NC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c2ccccc21,CI,0
O=C1CSC2=NC3=C(CSCC3=Cc3ccccc3)C(c3ccccc3)N12,CI,0
CC(C)c1ccc(C=C2CSCC3=C2N=C2SCC(=O)N2C3c2ccc(C(C)C)cc2)cc1,CI,0
O=C1CSC2=NC3=C(CSCC3=Cc3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N12,CI,0
CC1(C)[N+]([O-])=[N+]([O-])C1(C)Br,CI,0
CC1(C)[N+]([O-])=[N+]([O-])C1(C)O,CI,0
CC1(C)[N+]([O-])=[N+]([O-])C1(C)C,CI,0
COc1cc2c3c(c1)nc(C)n3C(=O)C(C)S2,CI,0
COc1cc2c3c(c1)ncn3C(=O)CS2,CI,0
COc1cc2c3c(c1)nc(C)n3C(=O)CS2,CI,0
COc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(c1ccccc1)S2,CI,0
COc1cc(NC=O)c2c(c1)SC(c1ccccc1)C(=O)N2,CI,0
COc1cc(N)c2c(c1)SC(c1ccccc1)C(=O)N2,CI,0
Cl.O=C1C(=Cc2ccccc2)CCCC1CN1CCCCC1,CI,0
Cc1ccc(C=C2CCCC(CN3CCCCC3)C2=O)cc1.Cl,CI,0
Cl.O=C1C(=Cc2ccc(O)cc2)CCCC1CN1CCCCC1,CI,0
Cl.OC1CN2CCCC(O)C2C(O)C1O,CI,0
OC1CN2CCCCC2C(O)C1O,CI,0
O=C(NCC1CCCN2CCCCC12)C(Cl)(Cl)Cl,CI,0
CNC(=S)NNC1=NCCCN1.I,CI,0
I.O=C(CCCl)NNC1=NCCCN1,CI,0
CCOC(=O)CC(=O)C(=O)NNC1=NCCCN1.I,CI,0
CNC(=S)NNC1=NCCCCN1.I,CI,0
CN(NC(=O)CCCl)C1=NCCCCN1.I,CI,0
I.O=C(CCCl)NNC1=NCCCCN1,CI,0
CC(CCc1nc2ccccc2o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CCc3nc4ccccc4o3)CCC12,CI,0
CC(CCc1nc2ccccc2o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
COC(=O)C(Cc1ccccc1OC)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
COC(=O)C(Cc1cccc(O)c1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
Cl.N=c1c2ccccc2nc2oc3ccccc3n12,CI,0
Cl.N=c1c2ccccc2nc2oc3ccc(Cl)cc3n12,CI,0
Cl.N=c1c2ccccc2nc2oc3cc([N+](=O)[O-])ccc3n12,CI,0
CC(=NNC(=S)N1CCCCC1)c1ccccc1O,CI,0
COc1ccc(O)c(C=NNC(=S)N2CCCCC2)c1,CI,0
O=[N+]([O-])c1ccc(O)c(C=NNC(=S)N2CCCCC2)c1,CI,0
C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,CI,0
C=C1CC(Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,CI,0
C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,CI,0
O=CCC12CC(=O)OC(C=CC13OCCO3)C2,CI,0
C=CCC12CC(=O)OC(C=CC13OCCO3)C2,CI,0
C=CCC12CC(C=CC13OCCO3)OC(=O)C2C,CI,0
CC(=O)NC(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)C,CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OCc1ccccc1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OCc1ccccc1,CI,0
S=C(NN=Cc1ccccn1)N1CCCCC1,CI,0
Cc1cccc(C=NNC(=S)N2CCCCC2)n1,CI,0
CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1,CI,0
COc1ccc(C2C(C#N)=C(S)N(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(C)=C2C(C)=O)cc1,CI,0
CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(c3ccc(Cl)cc3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(C)=C2C(C)=O)cc1,CI,0
CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3ccco3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccco1,CI,0
CC(=O)OCC1OC(N2C(S)=C(C#N)C(c3ccco3)C(C(C)=O)=C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1
COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CCC3)cc1,CI,0
COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CCC3)cc1,CI,0
N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCC2,CI,0
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1I,CI,0
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,CI,0
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(I)c1,CI,0
Clc1nc2cc3nc(Cl)c(Cl)nc3cc2nc1Cl,CI,0
Oc1nc2cc3nc(O)c(O)nc3cc2nc1O,CI,0
Nc1nc2cc3nc(N)c(N)nc3cc2nc1N,CI,0
Cl.O=C(C=Cc1ccccc1)CCN1CCN(CCC(=O)C=Cc2ccccc2)CC1,CI,0
COc1ccc(C=CC(=O)CCN2CCN(CCC(=O)C=Cc3ccc(OC)cc3)CC2)cc1.Cl,CI,0
Cl.O=C(C=Cc1ccc(Cl)c(Cl)c1)CCN1CCN(CCC(=O)C=Cc2ccc(Cl)c(Cl)c2)CC1,CI,0
Cc1ccnn1CCc1ccc(Cl)cc1Cl.Cl,CI,0
COc1ccc(CCn2nccc2C)cc1.Cl,CI,0
COc1ccc(CCn2ccc(C)n2)c(OC)c1.Cl,CI,0
CO.COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1,CI,0
CC(=O)O.Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc2nc(N)nc(N)c12,CI,0
COc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1.Cl,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN)ncnc32)cc1,CI,0
CCNC(=O)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1,CI,0
CNC(=S)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1,CI,0
CC1(C)OC(=O)C(C)(C)C(=O)O1,CI,0
CC(C)CC1C(=O)OC(C)(C)OC1=O,CI,0
CC1(C)OC(=O)CC(=O)O1,CI,0
CC=CC1(OC(=O)c2ccccc2)CC2CCCCC21,CI,0
C=C(C)C1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC2CCCCC21,CI,0
CC1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC2CCCCC21,CI,0
Cc1ccc2c(c1)Nc1ccccc1P2(=O)O,CI,0
Cc1ccc2c(c1)Nc1cc(C(F)(F)F)ccc1[PH]2=O,CI,0
O=[PH]1c2ccccc2Nc2ccccc21,CI,0
O=C1CCc2cc3c(cc21)C(C(=O)O)CC3,CI,0
O=C1c2cc3c(cc2CC1Br)CCC3,CI,0
COC(=O)C1Cc2cc3c(cc2C1=O)CCC3,CI,0
COP(=O)(Cc1ccccc1)Cc1ccccc1,CI,0
NC(C(F)(F)F)(C(F)(F)F)P(=O)(Cc1ccccc1)Cc1ccccc1,CI,0
O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(Cc1ccccc1)Cc1ccccc1)C(C(F)(F)F)C(F)(F)F,CI,0
O=C(O)C1CC2C3CCC2C1C3=O,CI,0
Cl.NC1CC2C3CCC2C1C3=O,CI,0
O=C1C2CCC3C1C(C(=O)O)C(C(=O)O)C23,CI,0
COC(=O)C1CCCCCCCCCCC12SCCCS2,CI,0
CS(=O)(=O)OCC1CCCCCCCCCCC12SCCCS2,CI,0
OCC1CCCCCCCCCCC12SCCCS2,CI,0
Cc1ccc(S(=O)(=O)NN=C2CC3CCC2C3)cc1,CI,0
O=S(=O)(NN=C1CC2CCC1C2)c1ccccc1,CI,0
CC(C)c1cc(C(C)C)c(S(=O)(=O)NN=C2CC3CCC2(C)C3(C)C)c(C(C)C)c1,CI,0
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(Cl)cc1,CI,0
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(O)cc1,CI,0
COc1cc(C=C2N=C(c3ccccc3)N(C3=NNC4(C(=O)N3)c3ccccc3-c3ccccc34)NC2=O)ccc1O,CI,0
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccccc1,CI,0
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccc(F)cc1,CM,1
CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccc(Br)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccc(Br)cc1,CM,1
Clc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1,CI,0
O=[N+]([O-])c1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1,CI,0
O=[N+]([O-])c1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc([N+](=O)[O-])c1,CI,0
Clc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1,CI,0
Fc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1,CI,0
O=[N+]([O-])c1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1,CI,0
CN(C)C=Nc1ccc2c3c(cccc13)-c1ccccc1-2,CI,0
COC(=O)c1c(C)c2c(c(C)c1C(=O)OC)-c1c(C)ccc3ccc(C)c-2c13,CI,0
BrCc1ccc(CBr)c2c1-c1c(CBr)ccc3ccc(CBr)c-2c13,CI,0
CC[N+]1(C)CCC(O)(C=Cc2ccc(Cl)c(Cl)c2)C(C(=O)C=Cc2ccc(Cl)c(Cl)c2)C1.[Br-],CI,0
CC[N+]1(C)CCC(O)(C=Cc2ccc(Cl)cc2)C(C(=O)C=Cc2ccc(Cl)cc2)C1.[I-],CI,0
CC[N+]1(C)CCC(O)(C=Cc2ccc(OC)cc2)C(C(=O)C=Cc2ccc(OC)cc2)C1.[I-],CI,0
O=C(NCCN1CCCCC1)c1ccc(I)cc1,CI,0
O=C(NCCN1CCCCC1)c1ccc(Br)cc1,CI,0
Cl.O=C(NCCN1CCCCC1)c1cccc(I)c1,CI,0
CC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1,CI,0
CC=CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1,CI,0
CCCC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1,CI,0
O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2,CI,0
CCN1CN(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O,CI,0
CCC(C)N1CN(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O.Cl,CI,0
Cl.O=C(CCCN1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1,CI,0
Cl.O=C(CCCN1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1,CI,0
COc1ccc2c3c([nH]c2c1)CCN(CCCC(=O)c1ccc(F)cc1)C3,CI,0
CC1(C)CC(=O)C2=C(C1)NC1=C(C2)C(=O)CC(C)(C)C1,CI,0
CN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CI,0
CC1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2,CI,0
[O-][Cl+3]([O-])([O-])[O-].c1cc[n+]2c(c1)-c1cccc[n+]1[Pd-2]21NCCN1,CI,0
CCN1CCN(CC)[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])O,CI,0
CCN1CCN[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC(C)(NC1=NCCO1)c1ccccc1,CI,0
CC(NC1=NCCO1)c1cccc([N+](=O)[O-])c1,CI,0
CC(NC1=NCCO1)c1ccccc1Cl,CI,0
O=C1c2ccc3cc(CCl)cc(O)c3c2C(=O)c2cccc(O)c21,CI,0
COc1cccc2c1C(=O)c1ccc3cc(CO)cc(O)c3c1C2=O,CI,0
COc1cccc2c1C(=O)c1ccc3cc(CCl)cc(O)c3c1C2=O,CI,0
COc1ccc(NC2=NCCO2)c2c1CCCC2,CI,0
Cc1cc(NC2=NCCO2)c2c(c1C)CCCC2,CI,0
CN(C1=NCCO1)c1cccc2c1CCCC2,CI,0
CC1=NC(C)(C)N(O)C1(C)C,CI,0
CC1(C)N=C(C=NO)C(C)(C)N1O,CI,0
COC1(OC)C(C(N)=CO)=NC(C)(C)N1O,CI,0
COc1nc2c(c(=O)n1C)N(C(C)=O)C1C(N2)OCC(OC(C)=O)C1OC(C)=O,CI,0
COc1nc2c(c(=O)n1C)NC1C(N2)OCC(O)C1O,CI,0
COc1nc2c(c(=O)n1C)NC1C(N2)OCC(OC(C)=O)C1OC(C)=O,CI,0
CCc1cc2c(oc3cc4ccccc4cc32)c(O)n1,CI,0
CCc1nc(O)c2oc3cc4ccccc4cc3c2c1C(=O)O,CI,0
Cc1nc(O)c2oc3cc4ccccc4cc3c2c1C(=O)O,CI,0
Nc1ccc(C=Cc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
O=C(O)c1ccc(C=Cc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2C(=O)O)cc1.[NaH],CM,1
O=C(O)c1cccc(C=Cc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2C(=O)O)c1.[NaH],CI,0
O=C(C=C1Nc2ccccc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1,CI,0
Cc1ccc(C(=O)C=C2Nc3ccccc3N=C2NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=C(C=C1Nc2ccc([N+](=O)[O-])cc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccccc1,CI,0
COc1ccc(C=Cc2sc3ccccc3[n+]2CCCCI)cc1OC.[I-],CI,0
COc1cc(C=Cc2sc3ccccc3[n+]2C)ccc1N(C)C.[I-],CI,0
CN(C)c1ccc(C=Cc2sc3ccccc3[n+]2C)cc1.[I-],CI,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(OC)nc2N1,CI,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(SC)nc2N1,CI,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(N)nc2N1,CI,0
O=c1ccn(C2CCC3(CO)CC23)c(=O)[nH]1,CI,0
Cc1cn(C2CCC3(CO)CC23)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(O)C3(CO)CC23)c(=O)[nH]c1=O,CI,0
O=[N+]([O-])C1CCC(=NO)c2nonc21,CI,0
ON=C1CCCc2nonc21,CI,0
NN=C1CCCc2nonc21,CI,0
CC(C)(CN1CCCCC1)C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(=O)NN=C(C=Cc1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1.Cl,CI,0
Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0
COc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(OC)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0
COC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12,CI,0
O=Cc1c2ccccc2n2ccc3c4ccccc4[nH]c3c12,CI,0
c1ccc2c(c1)cc1c3[nH]c4ccccc4c3ccn21,CI,0
CCC1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O,CA,1
O=C1c2cccn2-c2ccccc2SC1c1ccccc1,CI,0
CC1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O,CM,1
CC1=NN(c2nc(N)nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)C(C)(C)C1,CM,1
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3N=CCC3C)n2)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3N=CCC3C)n2)c(SCC(=O)O)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(SCC(=O)O)cc1Cl,CI,0
CCC(Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nc(N)nc(N(C)C)n1)C(=O)O,CI,0
Cc1cc(S(=O)(=O)Nc2nc(=N)n(C)[nH]2)c(S)cc1Cl,CI,0
CC(=O)Oc1cc(S(=O)(=O)Nc2nc(=N)[nH][nH]2)c(S)cc1Cl,CI,0
COC(=O)c1ccc(S)c(S(=O)(=O)Nc2nc(=N)[nH][nH]2)c1,CI,0
O=C(O)Cn1ncn(NC(=O)Cc2ccccc2)c1=S,CI,0
CC(C)(C)OC(=O)Cn1ncn(NC(=O)Cc2ccccc2)c1=S,CI,0
CN(C(=O)Cc1ccccc1)n1cnn(CC(=O)OC(C)(C)C)c1=S,CI,0
CCOP1(=O)CC(C)=C(Cl)C(OC)C1,CI,0
CCOP1(=O)CC(C)=C(Cl)C(O)C1,CI,0
COC1(C)CP(=O)(OC(C)C)CC(C)=C1Cl,CI,0
Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,CI,0
CN(C)C=Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,CI,0
CN(C)CCc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CI,0
COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)c3ccccc3)c(C(=O)OC)c2)cc(Cl)c1OC(=O)c1ccccc1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CI,0
Cc1noc(NS(=O)(=O)c2ccc(NC(=S)NC=C(C#N)C(N)=O)cc2)c1C,CI,0
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,CI,0
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,CI,0
O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccccc3)S(=O)Cc3ccccc3)c2c1,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccccc1)S(=O)Cc1ccccc1,CI,0
O=S(Cc1ccccc1)C(=Cn1c(=S)[nH]c2ccccc21)c1ccccc1,CI,0
O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3)S(=O)(=O)Cc3ccc(Cl)cc3)c2c1,CI,0
O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1,CI,0
NC(=S)NC=C(c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1ccc(Cl)cc1Cl,CI,0
CC(=S)NC=C(c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1ccc(Cl)cc1Cl,CI,0
NC(=S)C(=S)NC=C(c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1,CI,0
O=C1NC(=O)C(=CN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)C(=O)N1,CI,0
COc1cc(C=C2SC(=S)N(C=C3C(=O)NC(=O)NC3=O)C2=O)cc(OC)c1OC,CI,0
O=C1NC(=O)C(=CN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)C(=O)N1,CI,0
O=C1C(=Cc2cccc(O)c2)SC(=S)N1C=Cc1nc2ccccc2nc1O,CI,0
COc1ccc(C=C2SC(=S)N(C=Cc3nc4ccccc4nc3O)C2=O)cc1OC,CI,0
COc1cc(C=C2SC(=S)N(C=Cc3nc4ccccc4nc3O)C2=O)cc(OC)c1OC,CI,0
c1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1,CI,0
Clc1cccc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1,CI,0
Fc1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1,CI,0
COc1c(Br)cc(C=C(C#N)c2cccnc2)cc1Br,CI,0
N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1cccnc1,CI,0
COc1ccc(C=C(C#N)c2cccnc2)cc1OC,CI,0
N#Cc1nc(COCCOCc2ccccc2)oc1N,CM,1
N#Cc1nc(COCCOCc2ccc(F)cc2)oc1N,CI,0
COc1ccc(COCCOCc2nc(C#N)c(N)o2)cc1,CI,0
CCCCCCCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C,CI,0
CC(CC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C)[Si](C)(C)C,CI,0
C=CCC(C)CCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C,CI,0
CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(C)c(C(C)=O)s1,CI,0
CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(C)cs1,CI,0
CCOC(=O)Cc1csc(NN=C2SC(=CNc3ccccc3)C(=O)N2CC)n1,CI,0
CCOC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)c1ccccc1,CI,0
Cc1csc(NC=C2C(=O)Oc3ccccc3C2=O)n1.Cl,CI,0
CCOC(=O)Cc1csc(NC=C2C(=O)Oc3ccccc3C2=O)n1.Cl,CI,0
CC(=O)c1sc(NC=C2C(=O)Oc3ccccc3C2=O)nc1C.Cl,CI,0
COc1cccc(C=C2SC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)c1O,CI,0
COc1ccccc1C=C1SC(=S)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S,CI,0
CN(NC(=O)C(=Cc1ccc(O)cc1)NC(=O)c1ccccc1)c1ccnc2cc(Cl)ccc12,CI,0
O=C(NNc1ccnc2cc(Cl)ccc12)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1,CI,0
COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN(C)c2ccnc3cc(Cl)ccc23)cc1OC,CI,0
Br.CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CI,0
CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccc(O)c(O)c2)cs1,CI,0
CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccccc2)cs1,CI,0
CC(=O)C(=CN1CC(=O)NC1=S)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CN1CC(=O)NC1=S)C(=O)Nc1ccccc1,CI,0
CC(=O)C(=CN1CC(=O)NC1=S)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)C(=CNC(=S)c1ccncc1)C(=O)Nc1ccccc1C,CI,0
COc1ccccc1NC(=O)C(=CNC(=S)c1ccncc1)C(C)=O,CI,0
CC(=O)C(=CNC(=S)c1ccncc1)C(=O)Nc1ccccc1,CI,0
CC(=O)c1sc2n(C)c(=O)c3ccccc3[n+]2c1C.[Cl-],CI,0
C=CCn1c(=O)c2ccccc2[n+]2c(C)c(C(=O)OCC)sc12.[Cl-],CM,1
Cc1csc2n(C)c(=O)c3ccccc3[n+]12.[Cl-],CI,0
COC1CCON1C(=O)c1ccccc1,CI,0
CCOC1CCN(C(=O)c2ccccc2)O1,CI,0
CCOC1CC(C)N(C(=O)c2ccccc2)O1,CI,0
CC(=O)N1C(Nc2ccccc2)CCN1c1ccccc1,CI,0
CC(=O)NN(c1ccccc1)C1CCN(c2ccccc2)N1C(C)=O,CI,0
CC(=O)Nc1ccccc1NC1CC(C)N(c2ccccc2)N1C(C)=O,CI,0
Cn1c(=O)c(-c2ccccc2)c(N=[N+]=[N-])c2ccccc21,CI,0
Cn1c(=O)c(-c2ccccc2)c(O)c2ccccc21,CI,0
C=CCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21,CI,0
CCn1c(=O)c2c3ccc(OC(C)=O)cc3[nH]c2c2ccc(OC(C)=O)cc21,CI,0
CCn1c(=O)c2c3ccc(O)cc3[nH]c2c2ccc(O)cc21,CI,0
CCn1c(=O)c2c3ccc(OC)cc3[nH]c2c2ccc(OC)cc21,CI,0
CCC(C)C1N[Ir-3]([PH](C)(C)C)([PH](C)(C)C)([PH](C)(C)C)[OH+]C1=O.[Cl-],CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(CO)C(=O)[OH+]1.[Cl-],CI,0
CC(O)C1N[Ir-3]([PH](C)(C)C)([PH](C)(C)C)([PH](C)(C)C)[OH+]C1=O.[Cl-],CI,0
O=C1c2ccccc2S(=O)(=O)c2ccccc21,CM,1
O=C1c2ccccc2S(=O)(=O)c2c1cccc2[N+](=O)[O-],CI,0
O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CI,0
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CC#N,CI,0
CCOC(=O)C(NC(=O)CC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)CC(C)C)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F,CI,0
CN(N=Cc1cccs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1cccs1,CI,0
CN(N=Cc1cccs1)c1ccc(Cl)cc1[N+](=O)[O-],CI,0
Nc1ncnc2c1ncn2C1CCC2(CO)CC12,CI,0
OCC12CCC(n3cnc4c(O)ncnc43)C1C2,CI,0
Nc1ncnc2c1ncn2C1CC(O)C2(CO)CC12,CI,0
O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)s1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccsc1)c1cccs1,CI,0
Cc1ccsc1C(=O)C(CC(=O)c1cccs1)c1ccsc1,CI,0
O=C(C=Cc1cccs1)c1ccc(Cl)cc1,CI,0
O=C(C=Cc1cccs1)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(C=Cc1cccs1)c1ccccc1Cl,CI,0
Cc1cccc(C)c1NC(=O)C(=O)C(c1ccccc1Cl)S(=O)(=O)Cc1ccccc1Cl,CM,1
CCc1cccc(C(C)C)c1NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1,CI,0
CCOc1ccccc1NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1,CI,0
Cc1ccc(Nc2nc(C)c(C(=O)CC(=NNC(N)=S)C(=O)Nc3ccc(Cl)cc3C)s2)cc1,CI,0
Cc1ccc(Nc2nc(C)c(C(=O)CC(=NNC(N)=S)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1,CI,0
CCOc1ccc(NC(=O)C(CC(=O)c2sc(Nc3ccc(C)cc3)nc2C)=NNC(N)=S)cc1,CI,0
CCCn1c(=O)c2ccccc2[n+]2c(-c3ccc([N+](=O)[O-])cc3)csc12.[Br-],CI,0
C=CCn1c(=O)c2ccccc2[n+]2c(-c3cccc([N+](=O)[O-])c3)csc12.[Cl-],CI,0
Cn1c(=O)c2ccccc2[n+]2c(-c3cccc([N+](=O)[O-])c3)csc12.[Br-],CI,0
CCCNC(=S)NC=C1C(=O)Nc2ccccc2C1=O,CI,0
CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)Nc2ccccc2C1=O,CI,0
CCCCNC(=S)NC=C1C(=O)Nc2ccccc2C1=O,CI,0
CC1=CC(=O)C(=Cn2c(=S)[nH]c3cc(C)ccc32)C(=O)O1,CI,0
CC1=CC(=O)C(=Cn2c(=S)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)O1,CM,1
CC1=CC(=O)C(=Cn2c(=S)[nH]c3ccccc32)C(=O)O1,CI,0
COc1ccc(C=C2SC(NNc3nc(-c4ccccc4)cs3)=NC2=O)cc1OC,CI,0
COc1cc(C=C2SC(NNc3nc(-c4ccc(Br)cc4)cs3)=NC2=O)cc(OC)c1OC,CI,0
COc1cccc(C=C2SC(NNc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)=NC2=O)c1O,CI,0
Cn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O,CI,0
C=CCn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O,CI,0
Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
CC1(C)CC(=O)C(=CNC(N)=S)C(=O)C1,CI,0
CC1(C)CC(=O)C(=CNC(=S)C(N)=S)C(=O)C1,CI,0
NC(=S)NC=C1C(=O)CCCC1=O,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3ccccc3)c21,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c21,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c21,CI,0
CCCN1CCC(=O)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=S,CI,0
O=C1CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=S)N1CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CI,0
O=C1CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=S)N1,CI,0
Nc1nc(-c2ccco2)cc(-c2ccco2)n1,CI,0
Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)o1,CI,0
Nc1nc(-c2ccco2)cc(-c2ccc(CO)o2)n1,CI,0
c1ccc(N2N=C(c3ccco3)CC2c2ccco2)cc1,CI,0
Cc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)o1,CI,0
OCc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)o1,CI,0
N#Cc1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CC(=O)c1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,CI,0
CCOC(=O)c1c(N)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O,CI,0
[N-]=[N+]=Nc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0
CCOC(=O)C=Cc1c(Cl)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O,CI,0
OCC1OC(n2nc(-c3ccccc3)nc2-c2cnccn2)C(O)C1O,CI,0
COc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C3O)n2)cc1,CI,0
COc1cccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C3O)n2)c1,CI,0
C(=Cc1ccccc1)Cn1nc(-c2ccccc2)nc1-c1cnccn1,CI,0
COc1ccc(-c2nc(-c3cnccn3)n(CC=Cc3ccccc3)n2)cc1,CM,1
COc1cccc(-c2nc(-c3cnccn3)n(CC=Cc3ccccc3)n2)c1,CM,1
Cc1cccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)c1,CI,0
COc1ccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)cc1,CM,1
COc1cccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)c1,CI,0
OCCOCn1nc(-c2ccccc2)nc1-c1cnccn1,CI,0
COc1ccc(-c2nc(-c3cnccn3)n(COCCO)n2)cc1,CI,0
COc1cccc(-c2nc(-c3cnccn3)n(COCCO)n2)c1,CI,0
N#CC(c1nc2ccccc2[nH]1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1,CI,0
COc1ccc(C=c2sc(=C(C#N)c3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)cc1,CI,0
N#CC(c1nc2ccccc2[nH]1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1,CI,0
CCN(CC)c1cccc2c1C(=NO)CCCC2,CI,0
NC(=O)NN=C1CCCCc2ccccc21,CI,0
NC(=S)NN=C1CCCCc2ccccc21,CI,0
O=c1oc2cc(O)ccc2c2[nH]c3cc(O)ccc3c12,CI,0
CC(=O)Oc1ccc2c(c1)[nH]c1c3ccc(OC(C)=O)cc3oc(=O)c21,CI,0
COc1ccc2c(c1)[nH]c1c3ccc(OC)cc3oc(=O)c21,CI,0
O=S(=O)(N=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1,CI,0
Cc1ccc(S(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
O=S(=O)(N=S(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4ncc(-c5ccccc5)s4)CCC32)C1,CI,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3ncc(-c4ccccc4)s3)CCC12,CI,0
CC12CCC(OC(=O)CCC(=O)O)CC1=CCC1C2CCC2(C)C(c3ncc(-c4ccccc4)s3)CCC12,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4nc(-c5ccccc5)cs4)CCC32)C1,CI,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3nc(-c4ccccc4)cs3)CCC12,CI,0
CC12CCC(OC(=O)CCC(=O)O)CC1=CCC1C2CCC2(C)C(c3nc(-c4ccccc4)cs3)CCC12,CI,0
COc1ccc(N(C)CN(C)c2nc(N(C)C)nc(N(C)C)n2)cc1,CI,0
CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2ccccc2)n1,CI,0
CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2ccc(Cl)cc2)n1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(c5ccc(O)c(C(=O)O)c5)c5ccc(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CA,1
Cc1ccc(-n2cc(C(=N)NO)c3ccccc3c2=O)cc1,CI,0
COc1cc(OC)cc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c(=O)c2cc([N+](=O)[O-])ccc12,CI,0
O=c1ccn(CC2OCC(CO)O2)c(=O)[nH]1,CI,0
Cc1cn(CC2OCC(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(CC2OC(CO)C(CO)O2)c(=O)[nH]c1=O,CI,0
CCCc1c(C(=O)OCC)[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)s2)c1C(=O)OCC,CI,0
CCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)[nH]c1C=O,CI,0
CCCc1c[nH]c(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)c1,CI,0
O=C1CCC(c2ccccc2)=NN1c1nsc2ccccc12,CI,0
O=C1CCC(c2ccc(Cl)cc2)=NN1c1nsc2ccccc12,CI,0
COc1ccc(C2=NN(c3nsc4ccccc34)C(=O)CC2)cc1,CI,0
c1ccc(-c2nnc(-c3nsc4ccccc34)o2)cc1,CI,0
Clc1ccc(-c2nnc(-c3nsc4ccccc34)o2)cc1,CI,0
COc1ccc(-c2nnc(-c3nsc4ccccc34)o2)cc1,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3O)C1=N,CI,0
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N,CI,0
COCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N,CI,0
CCOC(=O)C1=C(C)N2CCOC2(C)C(C(=O)OC)C1c1cccc(Cl)c1,CI,0
COC(=O)C1=C(C)N2CCOC2CC1c1ccccc1,CI,0
COC(=O)C1=C(C)N2C(C(=O)O)COC2(C)C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CI,0
O=c1c([Se]c2coc3ccccc3c2=O)coc2ccccc12,CI,0
COc1ccc2c(=O)c([Se]c3coc4cc(OC)ccc4c3=O)coc2c1,CI,0
Cc1cccc2c(=O)c([Se]c3coc4c(C)cccc4c3=O)coc12,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1c(O)ccc2ccccc12,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1c(O)cc(O)c2ccccc12,CI,0
CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3c(O)ccc4ccccc34)C2=O)cc1,CI,0
OC1CCN(Cc2ccccc2)CC1CNC12CC3CC(CC(C3)C1)C2,CI,0
CC(=O)OC1CCN(Cc2ccccc2)CC1CN(C(C)=O)C12CC3CC(CC(C3)C1)C2,CI,0
CC(=O)N(CC1CN(Cc2ccccc2)CCC1O)C12CC3CC(CC(C3)C1)C2,CI,0
N#CC(=C1SC(N=Nc2ccccc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1,CI,0
Cc1ccc(N=NC2SC(=C(C#N)c3nc4ccccc4[nH]3)N(c3ccccc3)C2=O)cc1,CI,0
N#CC(=C1SC(N=Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1,CI,0
Nc1c(C(=O)NN=Cc2ccccc2)sc(=S)n1-c1ccccc1,CI,0
COc1ccc(C=NNC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1,CI,0
Nc1c(C(=O)NN=Cc2ccc(Cl)cc2)sc(=S)n1-c1ccccc1,CI,0
OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl,CI,0
CC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl,CI,0
CN(C)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl,CI,0
Cc1c(-c2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C,CI,0
COc1ccc(-c2nnc(-c3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1,CI,0
Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C,CI,0
CC(=O)c1cccc(N2COC(C)(C)c3nc4ccccc4n3C2)c1,CI,0
CC1(C)OCN(c2ccc(Cl)cc2)Cn2c1nc1ccccc12,CI,0
CC1(C)OCN(c2ccc(S(N)(=O)=O)cc2)Cn2c1nc1ccccc12,CI,0
CCN1C(=O)C(N=[N+]=[N-])(c2ccccc2)C(=O)c2ccccc21,CI,0
Cc1ccc2c(c1)NC(=O)C(N=[N+]=[N-])(c1ccccc1)C2=O,CI,0
[N-]=[N+]=NC1(c2ccccc2)C(=O)Nc2ccccc2C1=O,CI,0
Cc1ccc(C(=O)NCc2ccccc2)cc1N=NN(C)C,CI,0
O=C(NCc1ccc(O)cc1O)c1ccccc1O,CI,0
O=C(NCc1ccccc1O)c1ccc(O)cc1O,CI,0
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC3O,CI,0
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,CI,0
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC3OC(=O)CCl,CI,0
Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[KH],CA,1
Cn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1C(=O)Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH],CM,1
Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[NaH],CM,1
COc1cc(-c2cccs2)sc1-c1cccs1,CI,0
CCCCCCCCCc1cc(-c2ccc(C=O)s2)sc1-c1ccc(C=O)s1,CI,0
Brc1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1,CI,0
NC1=c2[nH]c(-c3ccccc3)nc2=NS(=O)(O)=N1,CI,0
NC1=c2[nH]c(-c3ccc(Cl)cc3)nc2=NS(=O)(O)=N1,CI,0
NC1=c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2=NS(=O)(O)=N1,CI,0
N#CN=C(NCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0
CCCCN(Cc1ccccc1)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0
CN(Cc1ccccc1)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0
Cc1c(-c2coc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(-c2coc(-c3ccc(Cl)cc3)n2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(-c2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(=O)n(-c2ccccc2)n1C,CI,0
O=C1CSC(C(=Cc2ccccc2)c2nc3ccccc3[nH]2)=N1,CI,0
COc1ccc(C=C(C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1,CI,0
O=C1CSC(C(=Cc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1,CI,0
C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)C(OC(C)=O)C(C)(O)C1C(OC(C)=O)C=C(C)C21,CI,0
C=C(C)C(=O)OC1CC(COC(C)=O)C2CC=C(CO)C2C2OC(=O)C(=C)C12,CI,0
C=C(C)C(=O)OC1CC(COC(C)=O)C2CC=C(C)C2C2OC(=O)C(=C)C12,CI,0
CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C1c1ccccc1,CI,0
CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1,CI,0
CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)C1c1ccccc1,CI,0
O=C(O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1,CI,0
COC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1,CI,0
C=CCOC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1,CI,0
C=CCCCC1(C)CCNC1=S,CI,0
CC#CCCCC1(C)CCNC1=S,CI,0
COC(=O)C1CCC(=S)N1C(C)=O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1,CI,0
CC(=O)Oc1ccc(C=CC(=O)OC2CCCCC2OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OC1CCCCC1OC(=O)C=Cc1ccc(O)c(O)c1,CI,0
CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4O)c(OC(C)=O)cc(O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1,CI,0
CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4OC(C)=O)c(OC(C)=O)cc(O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1,CI,0
CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4OC(C)=O)c(OC(C)=O)cc(OC(C)=O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1,CI,0
CC(C)(C)C1=CC(=NN=c2scc(-c3ccccc3)n2-c2ccccc2)C=C(C(C)(C)C)C1=O,CI,0
Cc1cc(C)c(-n2c(-c3ccc(Br)cc3)csc2=NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)c1,CI,0
Cc1cc(C)c(-n2c(-c3ccccc3)csc2=NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)c1,CI,0
Cc1cc(=O)oc2cc(OCCCOc3ccc4c(C)cc(=O)oc4c3)ccc12,CI,0
Cc1cc(=O)oc2c(C)c(OCCCOc3ccc4c(C)cc(=O)oc4c3C)ccc12,CI,0
CCCCCCc1cc2c(C)c(C)c(=O)oc2cc1OCCCOc1cc2oc(=O)c(C)c(C)c2cc1CCCCCC,CI,0
CC1NC(=O)c2cc(O)n(C)c(=O)c21,CI,0
CC1c2c(cc(O)n(C)c2=O)C(=O)N1C,CI,0
CC(=O)Oc1cc2c(c(=O)n1C)C(C)N(C)C2=O,CI,0
C=CN1C(=O)OCC1c1ccccc1,CI,0
COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(=O)OCC1c1ccccc1,CI,0
CC=CC(=O)N1C(=O)OCC1c1ccccc1,CI,0
COC(=O)C1=CCC(n2cnc3c(N)ncnc32)CC1,CI,0
COC(=O)C1=CCC(n2cnc3c(Cl)nc(N)nc32)CC1,CI,0
Nc1nc(Cl)c2ncn(C3CC=C(CO)CC3)c2n1,CI,0
Cc1cnc2c(c1)C(=O)C1=C(OC(C)(C)CC1O)C2=O,CI,0
CC1(C)CC(O)C2=C(O1)C(=O)c1ncccc1C2=O,CI,0
Cc1ccnc2c1C(=O)C1=C(OC(C)(C)CC1O)C2=O,CI,0
CNN=C(C)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl,CI,0
COC(=O)NN=C(C)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl,CI,0
CC(=NNC(N)=S)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl,CI,0
CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccco1,CI,0
COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2C(=O)O)o1,CI,0
CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(OC)o1,CI,0
COc1cc(C2(C)SCCCS2)cc(OC)c1OC,CI,0
COc1cc(C2(C)SCCCS2)c(I)c(OC)c1OC,CI,0
COc1ccc(C2(CC(C)O)SCCCS2)cc1,CI,0
COc1cc(C(C)O)c[n+](Cc2ccccc2)c1.[ClH2+],CI,0
CC(O)c1ccc[n+](Cc2ccccc2)c1.[Cl-],CI,0
Oc1ccc[n+](Cc2ccccc2)c1.[Br-],CI,0
CCOC(=O)C1C(=O)CN2CCc3c([nH]c4ccccc34)C12C(=O)OCC,CI,0
C=CCC1C(=O)C(C(=O)OC)N2CCc3c([nH]c4ccccc34)C12,CI,0
CCOC(=O)C1C(=O)CN2CCc3c([nH]c4ccccc34)C12,CI,0
CCOc1ccc(-c2oc(C=NNS(=O)(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2-c2ccc(OCC)cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=Cc2oc(-c3ccccc3Cl)c(-c3ccccc3Cl)c2[N+](=O)[O-])cc1,CI,0
Cc1ccc(S(=O)(=O)NN=Cc2oc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1,CI,0
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
O=C(CC(=O)C(=O)Nc1ccccc1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0
O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccco3)c(O)nc2c1,CI,0
O=[N+]([O-])c1ccc2nc(O)c(C(=NNc3ccccc3)C(O)c3ccco3)nc2c1,CI,0
Oc1nc2cc(Cl)ccc2nc1C(=NNc1ccccc1)C(O)c1ccco1,CI,0
O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccco1,CI,0
O=C(c1nc2ccccc2nc1O)C(O)c1ccco1,CI,0
O=C(c1nc2cc([N+](=O)[O-])ccc2nc1O)C(O)c1ccco1,CI,0
Cc1cccc(C)c1NC(=O)C(=O)Nn1c(NN)nc2ccccc2c1=O,CI,0
NNc1nc2ccccc2c(=O)n1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
NC(=O)NNc1nc2ccccc2c(=O)n1NC(=O)C(=O)Nc1ccc(Cl)cc1Cl,CI,0
COc1cccc(NC(=O)C(Cc2nc3ccccc3nc2C)=NNC(=O)C[n+]2ccccc2)c1.[Cl-],CI,0
O=C(C[n+]1ccccc1)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.[Cl-],CI,0
Cc1ccc(NC(=O)C(Cc2nc3ccc([N+](=O)[O-])cc3nc2O)=NNC(=O)C[n+]2ccccc2)c(C)c1.[Cl-],CI,0
COc1cccc(NC(=O)C(=O)C2C=CCS2(=O)=O)c1,CI,0
Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)C2C=CCS2(=O)=O)cc1Cl,CI,0
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C1C=CCS1(=O)=O,CI,0
CC1(C)OCC(C(O)C2OC(C)(C)OC2C=NO)O1,CI,0
CCOC(=O)C=CC1OC(C)(C)OC1C(O)C1COC(C)(C)O1,CI,0
CC1(C)OCC(C(O)C2OC(C)(C)OC2C=O)O1,CI,0
CC1=CCC2(C#N)CCC1C2O,CI,0
CC1(O)C=CC2CCC1C2O,CI,0
CCOP(=O)(OCC)OC1C=CC2CCC1C2,CI,0
N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-],CI,0
Cl.N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-],CI,0
Cl.N=S(c1ccccc1)c1ccccc1[N+](=O)[O-],CI,0
COc1ccc(NC(=O)C(=O)Cc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2CC(=O)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1,CI,0
Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1ccc(Cl)cc1C,CI,0
O=C(Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl,CI,0
CC(C)(C)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(O)(=[OH+])C(F)(F)F,CI,0
BrCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[BrH2+],CI,0
COC(=O)CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-],CI,0
COc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(=N)[nH]2)c(=O)n1C,CI,0
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(=N)[nH]2)c(=O)n1C,CI,0
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(=N)[nH]2)c(=O)n1C,CI,0
CC(C)(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl,CI,0
O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1)Nc1c(Cl)cccc1Cl,CI,0
CC(C)(Oc1ccc(C=CC(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl,CI,0
O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)N1CCN(c2ccccc2)CC1,CI,0
O=C(COc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)N1CCN(c2ccccc2)CC1,CI,0
CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)N1CCN(c2ccccc2)CC1,CI,0
O=C(C=Cc1ccc(OCCCCCCCCCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCCCCCCCCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1,CI,0
COc1ccc(C(=O)C=Cc2ccc(OCCCCCCCCCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)c(OC)c1,CI,0
N#Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(C#N)cc2)cc1,CI,0
c1ccc(OCCSCCCCCCCCCCSCCOc2ccccc2)cc1,CI,0
Clc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(Cl)cc2)cc1,CI,0
Nc1nc2c(N)cc(C(F)(F)F)cc2nc1-c1ccccc1,CI,0
COc1ccc2nc(-c3ccccc3)c(O)nc2c1,CI,0
Oc1nc2ccc(C(F)(F)F)cc2nc1-c1ccccc1,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(N=Cc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
CCOC(=O)CCC(NC(=O)c1ccc(N=Cc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
CCOC(=O)CC(NCc1ccc(N=Cc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0
O=C(C=Cc1ccccc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,CI,0
O=C(C=Cc1ccc(Br)cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,CI,0
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,CI,0
CCOC(=O)C(C(C)=O)=C1NC(C(=O)OCC)CS1,CI,0
CCOC(=O)C(C(=O)OCC)=C1NC(C(=O)OCC)CS1,CI,0
O=[N+]([O-])C(=C1NCCS1)C(Cl)=C(Cl)Cl,CI,0
CC(=O)C=C1Nc2ccccc2N1,CI,0
O=[N+]([O-])C(=C1Nc2ccccc2N1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(Cl)=CC(=C1Nc2ccccc2N1)[N+](=O)[O-],CI,0
CSC1=Nc2ccccc2N=C(c2ccccc2)C1,CI,0
COc1ccc(C2=Nc3ccccc3N=C(SC)C2)cc1,CI,0
CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1,CI,0
O=C1Cc2ccccc2CCc2ccccc21,CI,0
COc1ccc2c(c1)C(=O)Cc1ccccc1CC2,CI,0
COc1cccc2c1CCc1ccccc1CC2=O,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccccc1OC)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1,CI,0
COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1,CI,0
CC(=O)c1cccc(NC(=O)C(=O)Nn2c(=N)[nH][nH]c2=N)c1,CI,0
N=c1[nH][nH]c(=N)n1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
CCOc1ccc(NC(=O)C(=O)Nn2c(=N)[nH][nH]c2=N)cc1,CI,0
O=C1OCCN(c2cccc(Cl)c2)CCO1,CI,0
CC1CN(c2ccc(Cl)cc2)CC(C)OC(=O)O1,CI,0
CC1CN(c2ccc(Cl)cc2)CC(C)(C)OC(=O)O1,CI,0
COc1ccc(C2ON(c3ccccc3)CC=C2C)cc1,CI,0
CCC1=CCN(c2ccc(C)cc2)OC1c1ccc(OC)cc1,CI,0
COC(=O)c1ccc(N2CC=C(C)C(c3ccc(OC)cc3)O2)cc1,CI,0
COC1=CC(=O)c2ccccc2C1(C)C1=NC(C)(C)CO1,CI,0
COC1=CC(=O)c2ccc(C(C)C)cc2C1(C)C1=NC(C)(C)CO1,CI,0
COC1=CC(=O)c2ccccc2C1(CCC=C(C)C)C1=NC(C)(C)CO1,CI,0
CC1CC(=O)N2C(OCC2C(C)C)O1,CI,0
CC(C)C1COC2OC(C)C(C)C(=O)N21,CI,0
CCCCC1C(=O)N2C(OCC2C(C)C)OC1C,CI,0
O=[N+]([O-])c1nccn1CC(O)c1ccc(F)cc1,CI,0
O=[N+]([O-])c1nccn1CC(O)c1ccccc1,CI,0
CCOC(=O)c1ncn(CCc2ccc(Cl)cc2)c1C,CI,0
Nc1nc(O)c2ncn(Cc3ccccc3CCO)c2n1,CI,0
OCCc1ccccc1Cn1cnc2c(O)ncnc21,CI,0
COc1nc(C)nc2c1ncn2Cc1ccccc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N1CCCC1,CM,1
CC(=O)NC(Cc1ccccc1)C(=S)N1CCCC1,CI,0
CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=S)N1CCCC1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)cccc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)ccc(Cl)c34)cc2)no1,CI,0
Cc1cn(C2C=CC(O)CC2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2C=CCCC2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2C=CCCC2O)c(=O)[nH]c1=O,CI,0
CCSc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccccc1,CI,0
CCOC(=O)CSc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccccc1,CI,0
CCOC(=O)CSc1nnc(C(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(C)C)n1-c1ccccc1,CI,0
CC1(c2ccccc2)CC12C(=O)NC(=O)NC2=O,CI,0
COc1cccc(C2CC23C(=O)NC(=O)NC3=O)c1,CI,0
CC1C(c2ccccc2)C12C(=O)NC(=O)NC2=O,CI,0
CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1cc2ccccc2oc1=O,CI,0
CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(C)c2)C1=O)c1cc2ccccc2oc1=O,CI,0
COc1ccc(N2C(=O)C(=C(C)c3cc4ccccc4oc3=O)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
N#CN=C(NCc1ccccc1)NCc1ccccc1,CM,1
Cl.NC(=O)N=C(NCc1ccccc1)NCc1ccccc1,CI,0
CN(Cc1ccccc1)C(=NC#N)N(C)Cc1ccccc1,CI,0
O=C1NC2CCCC2C1c1ccc(Cl)cc1,CI,0
Nc1ccc(C2C(=O)NC3CCCC32)cc1,CI,0
O=C(O)c1ccc(C2C(=O)NC3CCCC32)cc1,CI,0
N#CC(=Cc1ccsc1)C(=O)c1ccccc1,CI,0
O=C(C=Cc1ccsc1)c1ccc(Cl)cc1,CI,0
O=C(C=Cc1ccsc1)c1ccccc1,CI,0
N#CC(=Cc1ccc[nH]1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc[nH]1)C(=O)c1ccccc1,CI,0
O=C(C=Cc1ccc[nH]1)c1ccccc1,CI,0
N#CC(=Cc1cccnc1)C(=O)c1ccccc1,CI,0
O=C(C=Cc1cccnc1)c1ccccc1,CI,0
COc1ccc(C(=O)C=Cc2cccnc2)cc1OC,CI,0
CCOC(=O)C(=Cc1ccncc1)C(=O)c1ccccc1,CI,0
O=C(C=Cc1ccncc1)c1ccccc1,CI,0
COc1ccc(C(=O)C=Cc2ccncc2)cc1OC,CI,0
O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccc(Cl)cc3Cl)c(O)nc2c1,CI,0
O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccccc3Cl)c(O)nc2c1,CI,0
Oc1nc2cc(Cl)ccc2nc1C(=NNc1ccccc1)C(O)c1ccc(Cl)c(Cl)c1,CI,0
Cn1c(=O)c(C(c2ccccc2)c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21,CI,0
COc1ccc(C(c2c(O)c3ccccc3n(C)c2=O)c2c(O)c3ccccc3n(C)c2=O)cc1,CI,0
Cn1c(=O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(C)c2=O)cc2ccccc21,CI,0
O=C(Nc1cccc(O)c1)C(=O)C1C(=O)NC(=S)NC1=O,CI,0
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C1C(=O)NC(=S)NC1=O,CI,0
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C1C(=O)NC(=S)NC1=O,CI,0
N#CC(C(=NNC(=N)N)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CI,0
Cc1cc(Cl)ccc1NC(=O)C(=NNC(C)(C)C)C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CI,0
COC(=O)c1ccccc1NC(=O)C(=NNC(C)(C)C)C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CI,0
NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
NC(=O)NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(Br)cc1,CI,0
NC(=O)NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CC1(C)C(=O)C(C)(C)C1=NNC(N)=S,CI,0
CC1(C)C(=O)C(C)(C)C1=NN,CI,0
COC(=O)NN=C1C(C)(C)C(=O)C1(C)C,CI,0
Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc([N+](=O)[O-])cc3nc2O)C(O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc([N+](=O)[O-])cc3nc2O)C(O)c2ccccc2Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc(Cl)cc3nc2O)C(O)c2cccc([N+](=O)[O-])c2)cc1,CI,0
CC(C)C(OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl)C(C)C,CA,1
CC(C)(C)OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl,CA,1
CC(C)(C)ON=Cc1cc(NC(=S)c2ccccc2)ccc1Cl,CA,1
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNS(=O)(=O)c2ccc(C)cc2)s1,CI,0
COc1cc(C=CC(=NNS(=O)(=O)c2ccc(C)cc2)c2sc(NNC(C)=O)nc2C)ccc1O,CI,0
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(NC(C)=O)cc2)=NNS(=O)(=O)c2ccc(C)cc2)s1,CI,0
NC(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1,CI,0
CN(C)N=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1,CI,0
N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1,CI,0
COc1ccc(C(=NO)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1,CI,0
COc1ccc(C(=NNC(N)=O)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1,CI,0
COc1ccc(C(=NNC(=S)NN)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1,CI,0
c1cc(-c2cn3ccsc3n2)ccn1,CI,0
Cc1cn2cc(-c3ccncc3)nc2s1,CI,0
Cc1csc2nc(-c3ccncc3)cn12,CI,0
O=C1C2=C(c3ccccc31)C(c1ccc(F)cc1)N1C(=O)CCSC1=N2,CI,0
O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)N1C(=O)CCSC1=N2,CI,0
O=C1C2=C(c3ccccc31)C(c1ccc(Cl)cc1)N1C(=O)CCSC1=N2,CI,0
O=C1CCC(=O)c2ccccc2N1,CI,0
O=C1CCC(=O)c2cc(Br)ccc2N1,CI,0
CC(C)(C)OC(=O)NC1CC(=O)c2ccccc2N(CC(=O)O)C1=O,CI,0
CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccc(N)cc1,CI,0
CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccc(Cl)cc1,CI,0
CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccccc1Cl,CI,0
COc1ccc(C=CC(=O)c2sc(NC(=S)NC(=O)c3ccc(Cl)cc3)nc2C)cc1OC,CI,0
Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)C=Cc1ccccc1[N+](=O)[O-],CI,0
COc1ccc(C=CC(=O)c2sc(NC(=S)NC(=O)c3ccccc3F)nc2C)cc1OC,CI,0
Cc1ccc(C(=O)C=Cc2ccco2)cc1,CI,0
N#CC(=Cc1ccco1)C(=O)c1ccccc1,CI,0
CCOC(=O)C(=Cc1ccco1)C(=O)c1ccccc1,CI,0
CCOC(=O)Cc1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3,CI,0
Sc1nc(Nc2ccccc2)c2c3c(sc2n1)CCCC3,CI,0
Sc1nc(Nc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3,CM,1
COc1ccc(C=CC(=NNC(=O)c2ccccc2)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1OC,CI,0
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(C=Cc1ccc(N(C)C)cc1)=NNC(=O)c1ccccc1,CI,0
COc1cc(C=CC(=NNC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O,CI,0
COC(=O)C(C#N)=C1NC(=O)c2ccccc21,CI,0
O=C1NC(=C[N+](=O)[O-])c2ccccc21,CI,0
CCOC(=O)C=C1c2ccccc2C(=O)N1CC(=O)OCC,CI,0
CN1C(=O)CC2(C)c3cc(C=O)ccc3N(C)C12,CI,0
CN1C(=O)CC2(C)c3cc(O)ccc3N(C)C12,CI,0
CN1C(=O)CC2(C)c3cc(O)cc(Br)c3N(C)C12,CI,0
C=CCC1C(C(C)(C)C(C(C)=O)C(=O)C(=O)OC)OC(C(C)(C)C)N1C(=O)OC,CI,0
CN1CCOC1(C)CO,CI,0
COCC1OCCN1C,CI,0
c1ccc(C2=NOC3C4CCC(C4)C23)cc1,CI,0
Clc1ccc(C2=NOC3C4CCC(C4)C23)cc1,CI,0
O=[N+]([O-])c1cccc(C2=NOC3C4CCC(C4)C23)c1,CI,0
COc1cc2c(cc1OC)C(C(=O)c1cccc(OC)c1OC)C(=O)N(C)CC2,CI,0
COc1cccc(C(=O)C2C(=O)N(C)CCc3ccccc32)c1OC,CI,0
CN1CCc2ccccc2C(C(=O)c2ccc(Cl)cc2)C1=O,CI,0
O=C1CCC2(c3ccccc3)Nc3ncccc3N12,CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3ncccc3N12,CI,0
O=C1CCC2(c3ccc(F)cc3)Nc3ncccc3N12,CI,0
NCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,CI,0
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCO,CI,0
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCCl,CI,0
COCN1COCN(C)C1=O,CI,0
CCOCN1COCN(C)C1=O,CI,0
COCN1COCN(COC)C1=O,CI,0
COc1ccc(C=NN2C(=O)Cc3ccccc32)cc1,CI,0
O=C1Cc2ccccc2N1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
O=C1Cc2ccccc2N1N=Cc1ccc(O)cc1,CI,0
Oc1nnc2ccccc2c1Cc1ccccc1,CI,0
Cc1ccc(Cc2c(O)nnc3ccccc23)cc1,CI,0
COc1ccc(Cc2c(O)nnc3ccccc23)cc1,CI,0
Cl.Clc1ccc(CCN2CCOCC2)c(Cl)c1,CI,0
CCOc1ccc(C(CN2CCOCC2)C(C)=O)cc1OC.Cl,CI,0
COc1ccc(CCN2CCOCC2)cc1.Cl,CI,0
CCCCOc1cc(C[S+]2CCCC2)c(OC)cc1C[S+]1CCCC1.[Cl-],CI,0
COc1cc(C[S+]2CCCC2)c(SC)cc1C[S+]1CCCC1.[ClH2+],CI,0
[Cl-].c1cc(C[S+]2CCCC2)ccc1C[S+]1CCCC1,CI,0
CCC12CCC3CCCCC3(OO1)C(OC)O2,CI,0
CCC1CCC23OOC(C)(CCC2C1)OC3OC,CI,0
CC(=O)C1CCC(C)C2CCC3(C)OOC12C(OC=O)O3,CI,0
CN1C(=O)N(C)C2(O)c3ccccc3C(=O)C12O,CI,0
CN1C(=O)NC2(O)c3ccccc3C(=O)C12O,CI,0
O=C1NC2(O)C(=O)c3ccccc3C2(O)N1,CI,0
O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(-c4ccc(Cl)cc4)n[nH]c3=S)o2)cc1,CI,0
S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1,CI,0
Oc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(-c2ccc(Br)cc2)o1,CI,0
CCOC(=O)C1=C(C)N(NC(=O)OC)C2(N)N(NC(=O)OC)C(C)=C(C(=O)OCC)C12C#N,CI,0
CCOC(=O)C1=C(C)N(NC(N)=O)C2(N)N(NC(N)=O)C(C)=C(C(=O)OCC)C12C(=O)OCC,CI,0
CCOC(=O)C1=C(C)N(NC(N)=O)C2(N)N(NC(N)=O)C(C)=C(C(=O)OCC)C12C#N,CI,0
CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1,CI,0
CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1,CI,0
COc1cccc(C2C(C(=O)Nc3cc(=O)n(C)c(=O)n3C)=C(C)NC(C)=C2C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1O,CI,0
CCOC(=O)c1c[nH]c2c(ccc3ncccc32)c1=O,CI,0
O=C(O)c1c[nH]c2c(ccc3ncccc32)c1=O,CI,0
O=c1cc[nH]c2c1ccc1ncccc12,CI,0
O=C1N[Se](=O)c2ccccc21,CM,1
CCCCCCCCCCCCN1C(=O)c2ccccc2[Se]1=O,CI,0
CCCCCCCCCCCCCCCCCCN1C(=O)c2ccccc2[Se]1=O,CI,0
Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C#N)c1C,CI,0
Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C(=O)O)c1C,CI,0
Cc1cc2c(C)n(Cc3ccccc3Cl)nc2c(C(=O)O)c1C,CI,0
O=S1Nc2cccc(C(F)(F)F)c2S1,CI,0
O=S1Nc2c(Cl)cc(Cl)c(Cl)c2S1,CI,0
Cc1cc(C)c2c(c1)NS(=O)S2,CI,0
CC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1,CI,0
N#CC(=Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1,CI,0
O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1,CI,0
COc1ccc(C2CC(C)=Nc3c(O)nc(S)nc3N2)cc1,CI,0
CC1=Nc2c(O)nc(S)nc2NC(c2ccc(Cl)c(Cl)c2)C1,CI,0
CC1=Nc2c(O)nc(S)nc2NC(c2c(Cl)cccc2Cl)C1,CI,0
CCOC=C1N=C(c2ccccc2Br)OC1=O,CI,0
CCC=C1N=C(c2ccc(Cl)cc2)OC1=O,CI,0
CCOC=C1N=C(c2ccc(Cl)c(Cl)c2)OC1=O,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12,CI,0
O=C(C=Cc1ccccc1O)c1cccc2ccccc12,CI,0
O=C(C=Cc1ccccc1Cl)c1cccc2ccccc12,CI,0
N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccccc1)c1ccccc1,CI,0
N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Br)cc1)c1ccc(Br)cc1,CI,0
N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccco1,CI,0
Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccco1,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1,CI,0
CN1C(=O)CNC(=O)c2ncn(C3OC(CO)C(O)C3O)c21,CI,0
O=C1CNC(=O)c2ncn(C3OC(CO)C(O)C3O)c2N1,CI,0
CN1CC(=O)Nc2c(ncn2C2OC(CO)C(O)C2O)C1=O,CI,0
CCc1cccc(C)c1NC(=O)CCc1nnc(SC)o1,CI,0
CSc1nnc(CCC(=O)Nc2c(C)cccc2C)o1,CI,0
CCOc1ccc(NC(=O)CCc2nnc(SC)o2)cc1,CI,0
CC1=C[NH+]([Ir-3]([ClH+])([PH](C)(C)C)([PH](C)(C)C)[PH](C)(C)C)c2ccccc21,CI,0
C[PH](C)(C)[Ir-3]([ClH+])([NH+]1C=Cc2ccccc21)([PH](C)(C)C)[PH](C)(C)C,CI,0
COC(=O)C=C(C(=O)OC)C1=C[NH+]([Ir-3]([ClH+])([PH](C)(C)C)([PH](C)(C)C)[PH](C)(C)C)c2ccccc21,CI,0
CCc1ccccc1NC(=O)C(CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-])=NNS(=O)(=O)c1ccc(C)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C(CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccccc2C)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C(CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccc(C)c(C)c2)cc1,CI,0
O=C1C2Nc3ccccc3SC2C(=O)N1c1ccccc1C(F)(F)F,CI,0
O=C1C2Nc3ccccc3SC2C(=O)N1c1ccc(Br)cc1,CI,0
O=C1C2Nc3ccccc3SC2C(=O)N1c1cccc([N+](=O)[O-])c1,CI,0
CC(=O)C(=Cc1ccco1)C(=O)Nc1ccccc1,CI,0
CCOC(=O)CCc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])o2)cc1,CI,0
CCOc1ccc(NC(=O)C=Cc2ccco2)cc1,CI,0
CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C2CC1(OS(=O)(=O)C(F)(F)F)C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C2CC1C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
CC1=C(OCCCl)C2CC1C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
COc1ccc2c(c1)C=C(C(C)(C)C)N=S2(=O)O,CI,0
CC(C)(C)C(=O)Cc1cc2c(cc1C(=O)O)S(=O)(O)=NC(C(C)(C)C)=C2,CI,0
CC(C)OC(=O)C1=C(O)c2ccccc2S(=O)(O)=N1,CI,0
CC=C(C1CC2c3[nH]c4ccccc4c3CCN2C(=O)C1C(=O)OCC)[Si](C)(C)C,CI,0
CC=C(C1CC(=O)N2CCc3c([nH]c4ccccc34)C2C1)[Si](C)(C)C,CI,0
CCOC(=O)C1CCC2c3[nH]c4ccccc4c3CCN2C1=O,CI,0
[O+]#C[Cr](C#[O+])(C#[O+])C#[O+].c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,CI,0
[O+]#C[Mo](C#[O+])(C#[O+])C#[O+].c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,CI,0
c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,CI,0
O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nnc(-c3cccnc3)n12,CI,0
CN(C)c1ccc(C=c2sc3nnc(-c4cccnc4)n3c2=O)cc1,CI,0
CC(=O)Nc1ccc(C=c2sc3nnc(-c4cccnc4)n3c2=O)cc1,CI,0
CN1C(=O)C2(C=CCCC2)c2ccccc21,CI,0
CN1C(=O)C2(C=CC(O)CC2)c2ccccc21,CI,0
CC(C)[Si](CC1=CCCCC12C(=O)N(COCC[Si](C)(C)C)c1ccccc12)(C(C)C)C(C)C,CI,0
CN(C(=O)C1=CCCCCC1)c1ccccc1Br,CI,0
CN(C(=O)C1=CCCCCC1)c1ccccc1I,CI,0
CC(C)[Si](OC1=C(C(=O)Nc2ccccc2Cl)CCCCC1)(C(C)C)C(C)C,CI,0
CC(C)=CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15,CI,0
C=CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15,CI,0
CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15,CI,0
O=C1C(c2ccccc2Cl)C2CC=CC2N1O,CI,0
O=C1C(c2ccc(Cl)cc2)C2CC=CC2N1O,CI,0
O=C(O)c1ccc(C2C(=O)N(O)C3C=CCC23)cc1,CI,0
C=CC1(CC)C(=NO)C(CC)(CC)C(=O)N1O,CI,0
CC=CC1(C)C(=NO)C(C)(CCC)C(=O)N1O,CI,0
CC(C)=CC1(C)C(=NO)C(C)(CC(C)C)C(=O)N1O,CI,0
CC1Nc2ccccc2NC1C=C(C#N)C#N,CI,0
CC(C)CC(=O)N1CCN(C(=O)CC(C)C)c2ccccc21,CI,0
O=[N+]([O-])c1ccc2c(c1)NC(O)C(O)N2,CI,0
CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2ncccc21,CI,0
CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2nc(C)ccc21,CI,0
C1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2ncccc21,CI,0
CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2ncccc21,CI,0
CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2nc(C)ccc21,CI,0
C1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2ncccc21,CI,0
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C,CI,0
CCNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1,CI,0
CC=NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C,CI,0
Cc1ccccc1-n1c(=O)sc2c(=O)n(-c3ccccc3)c(=S)[nH]c21,CI,0
Cc1ccccc1-n1c(=S)[nH]c2c(sc(=O)n2-c2ccccc2C)c1=O,CI,0
Cc1cccc(-n2c(=S)[nH]c3c(sc(=O)n3-c3ccccc3C)c2=O)c1,CI,0
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1N.[NaH],CI,0
COc1cc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)c2cc1OC,CI,0
COc1cc(C(=O)Nc2cccc3ccccc23)c(Br)c(OC)c1OC,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccc(Cl)cc5nc34)cc2)no1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccc(Cl)cc5nc34)cc2)n1,CI,0
Cc1ccc(S(=O)(=O)c2ccccn2)cc1,CM,1
O=S(=O)(c1ccccc1)c1ccccn1,CA,1
O=[N+]([O-])c1cccnc1S(=O)(=O)c1ccccc1,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1cccc2ccccc12,CI,0
Cc1ccccc1C1=NC(=Cc2c(O)ccc3ccccc23)C(=O)O1,CI,0
O=C1OC(c2ccccc2)=NC1=Cc1c(O)ccc2ccccc12,CI,0
CC(C)(C)OC(=O)Cc1ccc2c(ccn2Cc2ccccc2)c1,CI,0
CCN(CC)CCOC(=O)c1cc2ccccc2n1Cc1ccccc1.Cl,CI,0
CC(CN(C)C)OC(=O)c1cc2ccccc2n1Cc1ccccc1.Cl,CI,0
O=C(Nc1cccc(Cc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1,CI,0
COc1ccc(C(=O)Nc2cc(Cc3cc(NC(=O)c4ccc(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O.O[Na].[NaH],CI,0
COC(=O)c1cc(C(=O)Nc2cc(Cc3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC,CI,0
O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CCCC1=O,CI,0
O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CC(O)CC1=O,CI,0
O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CCC(O)C1=O,CI,0
C=CCNC1=NC(=O)C(CC(=O)Nc2cccc(Cl)c2)S1,CI,0
C=CCNC1=NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1,CI,0
C=CCNC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1,CI,0
Clc1ccc(Cc2nc3ccccc3s2)c(Cl)c1,CI,0
COc1ccc(Cc2nc3ccccc3s2)cc1OC,CI,0
O=[N+]([O-])c1ccc(Cc2nc3ccccc3s2)cc1,CI,0
Cc1cccc(NC(=O)Cc2nc3ccccc3s2)c1C,CI,0
O=C(Cc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1,CI,0
NS(=O)(=O)c1ccc(NC(=O)Cc2nc3ccccc3s2)cc1,CI,0
O=[N+]([O-])c1ccc(C2=Nc3ccccc3S(=O)C(c3ccccc3)C2)cc1,CI,0
CC(=O)Nc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2=O)cc1,CI,0
O=[N+]([O-])c1ccc(C2CC(c3ccccc3Cl)=Nc3ccccc3S2=O)cc1,CI,0
N#Cc1c2c(c(Cl)n3c1nc1ccccc13)CCCC2,CI,0
N#Cc1c2c(c(N=[N+]=[N-])n3c1nc1ccccc13)CCCC2,CI,0
N#Cc1c2c(cn3c1nc1ccccc13)CCCC2,CI,0
Cn1c2ccccc2n2c(=O)c3c(c(C#N)c12)CCCC3,CI,0
Cc1cc2[nH]c3c(C#N)c4c(c(=O)n3c2cc1C)CCCC4,CI,0
CCn1c2ccccc2n2c(=O)c3c(c(C#N)c12)CCCC3,CI,0
O=C(O)c1ccc(O)c(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)c1,CI,0
O=C(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1,CI,0
O=S(=O)(O)c1cccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)c1.[NaH],CI,0
O=C(O)CCC1(Br)CCCCC(Br)C1=O,CI,0
CN(C)CC1CCCCC(CN(C)C)C1=O.Cl,CI,0
C=C(C)CCC1CCCCC(CN(C)C)C1=O,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)n1C,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)[nH]1,CI,0
COc1ccc(-c2nnc(Sc3c([N+](=O)[O-])ncn3C)[nH]2)cc1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nnc[nH]1,CI,0
Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nnc(C(F)(F)F)n1C,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1ncc[nH]1,CI,0
Cn1ccnc1Sc1c([N+](=O)[O-])ncn1C,CI,0
CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc[nH]1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1ncccn1,CI,0
Cc1cc(C)nc(Sc2c([N+](=O)[O-])ncn2C)n1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nccc(O)n1,CI,0
Cc1cc(C)cc(Sc2c([N+](=O)[O-])ncn2C)c1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1ccccc1C(=O)O,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1ccccc1N,CI,0
CC12CCC3C(CCC4C(=O)c5[nH]ncc5CC43C)C1CCC2O,CI,0
CC(=O)OC1CCC2C3CCC4C(=O)c5[nH]ncc5CC4(C)C3CCC12C,CI,0
CC12Cc3cn[nH]c3C(=O)C1CCC1C2CCC2(C)C1CCC2(C)O,CI,0
CCCCCNC(=O)C1C(=O)N(CCCCC)C(=O)C1=NN,CI,0
COCCCNC(=O)C1C(=O)N(CCCOC)C(=O)C1=NN,CI,0
CCCCNC(=O)C1C(=O)N(CCCC)C(=O)C1=NN,CI,0
CCC(C)SC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,CI,0
CSC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,CI,0
CC(C)SC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)cc1,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
O=[N+]([O-])C1C2C=CC(C2)C1c1ccccc1Cl,CI,0
O=[N+]([O-])C1C2C=CC(C2)C1c1ccc(Cl)cc1Cl,CI,0
O=C(O)c1ccc(C2C3C=CC(C3)C2[N+](=O)[O-])cc1,CI,0
Cn1c2ccccc2c2ncc3[nH]c4ccccc4c3c21,CI,0
Cl.Fc1cccc2c1[nH]c1c2ncc2[nH]c3ccccc3c21,CI,0
Cc1ccc2[nH]c3c(ncc4[nH]c5ccccc5c43)c2c1,CI,0
CCCC(=O)OCC1OC2OC(C)(C)OC2C2OC(C)(C)OC12,CI,0
CC1(C)OC2OC(COC(=O)C=[N+]=[N-])C3OC(C)(C)OC3C2O1,CI,0
CC1(C)OC2COC3(C(O)CCO)OC(C)(C)OC3C2O1,CI,0
CCCC(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21,CI,0
CCCS(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21,CI,0
CC=COC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21,CI,0
CCSc1nnc2c(-c3ccccc3)n[nH]c2n1,CI,0
Nc1nnc2c(-c3ccccc3)n[nH]c2n1,CI,0
Oc1nnc2c(-c3ccccc3)n[nH]c2n1,CI,0
Oc1nc2ccccc2c2c1CCO2,CI,0
CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2c2c1CCO2,CI,0
CCOC(=O)c1nc2ccc(Cl)cc2c2c1CCO2,CI,0
Cc1cc(=O)n2c(cc3cccccc32)n1,CI,0
CCOC(=O)c1c2cccccc2n2c(=O)cc(C)nc12,CI,0
CCOC(=O)c1cnc2cc3cccccc3n2c1=O,CI,0
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O,CI,0
CSc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O,CI,0
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O,CI,0
COc1nc(O)c2[nH]c(=N)n(C3OC(CO)C(O)C(O)C3O)c2n1,CI,0
CSc1nc(O)c2[nH]c(=N)n(C3OC(CO)C(O)C(O)C3O)c2n1,CI,0
CSc1nc(O)c2[nH]c(=N)n(C3OCC(O)C(O)C3O)c2n1,CI,0
CCCC[Sn](CCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12,CI,0
C=C[Sn](C=C)(Oc1cccc2cccnc12)Oc1cccc2cccnc12,CI,0
CCCCCCCC[Sn](CCCCCCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12,CI,0
O=C1C=C(N2CCCC2)c2ncccc2C1=O,CI,0
Cc1ccc2c(n1)C(N1CCCC1)=CC(=O)C2=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N1CCCC1,CI,0
O=[N+]([O-])N1CCCS1(=O)=O,CI,0
O=NN1CCCS1(=O)=O,CI,0
O=C(O)C1CCS(=O)(=O)N1,CI,0
CN1CCC2(C)c3ccc(O)cc3CC3CCCC1C32C,CI,0
CN1CCC2(C)c3c(O)cccc3CC3CCCC1C32C,CI,0
CN1CCC2(C)c3cc(O)ccc3CC3CCCC1C32C,CI,0
Cl.Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,CI,0
[N-]=[N+]=Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1I,CI,0
Cl.Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1I,CI,0
COc1cc2c(cc1OC)C(C#N)(Cc1ccccc1)N(C(=O)c1ccccc1)C=C2,CI,0
N#CC1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1,CI,0
N#CC1(Cc2ccc(N)cc2)c2ccccc2C=CN1C(=O)c1ccccc1,CI,0
CCC(C)CC(C)CC(C)C=C(C)C1=C(C)CC(C)(O)O1,CI,0
CC(C)C1OC(N)=C(C#N)C1(C#N)C#N,CI,0
CC(=O)CC1(C)OC(N)=C(C#N)C1(C#N)C#N,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cnn(-c6ccccc6)c5NC4(C)CCC32)C1,CI,0
CC12CCC3C(CC=C4CC(O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cnn(-c6ccc(F)cc6)c5NC4(C)CCC32)C1,CI,0
O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1,CI,0
COc1cc(C(=O)N2CCc3c([nH]c4c([N+](=O)[O-])c(OC)ccc34)C2C)cc(OC)c1OC,CI,0
CCOC(=O)C1(C(=O)OCC)Cc2c([nH]c3ccccc23)CN1C(=O)c1ccccc1,CI,0
[O-]c1c2c(nn1-c1ccccc1)c1ccccc1c[n+]2Cc1ccccc1,CI,0
[O-]c1c2c(nn1-c1ccc(Cl)cc1)c1ccccc1c[n+]2Cc1ccccc1,CI,0
[O-]c1c2c(nn1-c1ccc(F)cc1)c1ccccc1c[n+]2Cc1ccccc1,CI,0
O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21,CI,0
Cc1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O,CI,0
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O,CI,0
CC=C(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12,CI,0
CCC(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12,CI,0
CC=C(C)C(=O)OCC12C(OC(C)=O)CC(C)C(C)(CCC3=CC(=O)OC3)C1CCCC21CO1,CI,0
COc1cc2c(cc1OC)CCN=C2,CI,0
COc1cc2c(cc1O)C=NCC2,CI,0
COc1cc2c(c(OC)c1)C(C)=NC(C)C2,CI,0
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC(=O)N2,CI,0
CN1C(=O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C,CI,0
CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(C#N)C(=O)N2,CI,0
COC12OCCN(C)C1=CC(=O)C1N=NCC12,CI,0
COC12OCCN(C)C1=CC(=O)C1(C)N=NCC12,CI,0
COC12OCCN(CCO)C1=CC(=O)C1(C)N=NC(C)C12,CI,0
Nc1ccc2c(c1)C1=NNC(=O)CC1C2,CI,0
Nc1cccc2c1C1=NNC(=O)CC1C2,CI,0
CC12CC(=O)NN=C1c1ccccc1C2,CI,0
CCOC(=O)C(O)=C1C(=O)N(C)C(=O)C1c1cccc(OC)c1,CI,0
CCOC(=O)C(O)=C1C(=O)N(C)C(=O)C1c1ccc(OC)c(OC)c1,CI,0
CCCN1C(=O)C(=C(O)C(=O)OCC)C(c2ccc(OC)c(OC)c2)C1=O,CI,0
COc1ccc(C2C(Cl)C(=O)N2c2ccc(OC)cc2)cc1,CI,0
CC(=O)NC1C(=O)N(c2ccccc2)C1c1ccccc1,CI,0
COCOC1C(=O)N(c2ccccc2)C1c1ccccc1,CI,0
O=C(O)c1ccccc1NC(=O)C1CCCCC1,CI,0
COC(=O)c1ccc(Cl)cc1NC(=O)C1CCCCC1,CI,0
COC(=O)c1cc(Cl)ccc1NC(=O)C1CCCCC1,CI,0
COC1C(NC(=O)OC(C)(C)C)C(=O)N1Cc1ccccc1,CI,0
CC(=O)NC1C(=O)N(Cc2ccccc2)C1COC(C)(C)C,CI,0
CCC1C(NC(=O)OC)C(=O)N1C(C)c1ccccc1,CI,0
CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C1CCC2(C)O,CI,0
CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C(O)CCC12,CI,0
CC(=O)OC1CCC2C3CCC4=C(O)c5nocc5CC4(C)C3CCC12C,CI,0
COc1ccc(C(=O)O)c2c(=O)c3cccnc3[nH]c12,CI,0
Cc1ccnc2[nH]c3ccccc3c(=O)c12,CI,0
Cc1ccnc2c1c(=O)c1ccccc1n2C,CI,0
COc1ccc(C(=O)CC2=Nc3nnc(CCCCCCCc4nnc5n4C(=O)C(CC(=O)c4ccc(OC)cc4)=N5)n3C2=O)cc1,CI,0
O=C(CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CC(=O)c3ccccc3)=N4)n2C1=O)c1ccccc1,CI,0
Cc1ccc(C(=O)CC2=Nc3nnc(CCCCCCCc4nnc5n4C(=O)C(CC(=O)c4ccc(C)cc4)=N5)n3C2=O)cc1,CI,0
CS(=O)(=O)CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CS(C)(=O)=O)=N4)n2C1=O,CI,0
CCC(=O)C(C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(C(C)C(=O)CC)=N4)n2C1=O,CI,0
CCCCCC(=O)C(C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(C(C)C(=O)CCCCC)=N4)n2C1=O,CI,0
Oc1ccc(-c2nc(=S)[nH][nH]2)cc1,CI,0
Cc1cccc(-c2nc(=S)[nH][nH]2)c1,CI,0
O=[N+]([O-])c1cc(-c2nc(=S)[nH][nH]2)ccc1O,CI,0
O=C(C(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1,CI,0
COc1ccc(C(=O)C(=NNc2ccccc2)c2ccc(OC)cc2)cc1,CI,0
O=C(C(=NNc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,CI,0
O=C(O)CC(O)(c1ccccc1C(=O)O)c1cccc2ccccc12,CI,0
COc1cccc(C(=O)O)c1Cc1cccc2ccccc12,CI,0
COc1ccc(C(=O)O)c(Cc2cccc3ccccc23)c1,CI,0
COc1ccc(C(=O)O)c(Cc2ccc3ccccc3c2)c1,CI,0
COc1ccc(OC)c2c(C(=O)O)c(C(C)c3ccccc3)ccc12,CI,0
COc1ccc(OC)c2c(C(=O)O)c(Cc3ccccc3)ccc12,CI,0
O=C(O)CCCCCCCC1SC1CCCCCCO,CI,0
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1SC1(C)C,CI,0
COC(=O)C=C(C)CCC1SC1(C)C,CI,0
O=C(O)c1cc2sc(C(=O)O)cc2s1,CI,0
O=Cc1cc2sc(C=O)cc2s1,CI,0
COC(=O)c1sc2c(Cl)c(Cl)sc2c1Cl,CI,0
CC1CCOC(Sc2ccccc2)C1,CI,0
c1ccc(SC2CCCCO2)cc1,CI,0
CC1(C)CCOC(Sc2ccccc2)C1,CI,0
COC1=C(OC)C(O)(c2ccccc2)C1=O,CI,0
CC(C)(C)OC1=C(OC(C)(C)C)C(O)(c2ccc(Cl)cc2)C1=O,CI,0
CC(C)(C)OC1=C(OC(C)(C)C)C(O)(c2ccccc2)C1=O,CI,0
CCOC(=O)COc1ccc(OCC(=O)OCC)c2c1C(=O)CCCC2=O,CI,0
O=C(O)COc1ccc(O)c2c1C(=O)CCCC2=O,CI,0
COc1ccc(O)c2c1C(=O)CCCC2=O,CI,0
O=C1CCC2COc3ccc(O)c1c32,CI,0
COc1ccc2c3c1C(=O)CCC3CO2,CI,0
O=C(O)COc1ccc2c3c1C(=O)CCC3CO2,CI,0
CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2O)C14,CI,0
CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2OC(C)=O)C14,CI,0
CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC7(OCOC7(C(OC(C)=O)C23)C14)C5C6OC,CI,0
O=C(O)C1CCC(=O)N1S(=O)(=O)c1ccccc1,CI,0
NNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccccc1,CI,0
NC(=O)NC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1,CI,0
[N-]=[N+]=NC1CC(n2cc(Cc3ccccc3)c(=O)[nH]c2=O)OC1CO,CI,0
[N-]=[N+]=NC1CC(n2cc(Cc3ccccc3)c(=O)[nH]c2=O)OC1COC(=O)CCC(=O)O,CI,0
O=c1[nH]c(=O)n(C2CCC(COP(=O)(O)O)O2)cc1Cc1ccccc1,CI,0
Oc1cccc2c1nc(O)c1c(O)c3c(cc12)OCO3,CI,0
Oc1ccc2c(c1)nc(O)c1c(O)c3c(cc12)OCO3,CI,0
CC(=O)Oc1cccc2c1nc(O)c1c(OC(C)=O)c3c(cc12)OCO3,CI,0
CC12CCCC(=O)C1CC(C(=O)O)CC2,CI,0
CC12CCCC(=O)C1(O)CC(C(=O)O)CC2,CI,0
O=C1CCCC2C(O)CCCC12,CI,0
CC12CCC(=O)CC1CCC(O)C2Br,CI,0
CC12CCC(=O)CC1CCC(OC=O)C2Br,CI,0
CC1C(=O)CCC2(C)CCC(C(C)(C)O)CC12O,CI,0
O=c1ccc2cc3ccc4cccc5ccc(c2o1)c3c45,CI,0
Cc1cc2cc3ccc4cccc5ccc(c2oc1=O)c3c45,CI,0
Cc1cc(=O)oc2c1cc1ccc3cccc4ccc2c1c34,CI,0
COC(=O)C1=CC2OC1(C)CCC2=O,CI,0
COC(=O)C1=C(C(=O)OC)C2(C)CCC(=O)C1O2,CI,0
CCOC(=O)C12OC(CCC1=O)C(C(=O)OC)=C2C(=O)OC,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1,CI,0
Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1,CI,0
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1,CI,0
O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1,CI,0
O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1,CI,0
Cl.NC1C2CN3CCC(O2)C13,CI,0
CCCCCCCCC(=O)N(C)C1C2CN3CCC(O2)C13,CI,0
CC(C)=CC(=O)N(C)C1C2CN3CCC(O2)C13,CI,0
CC1CCC2(CC1)NN=c1sc(=Cc3ccc(O)cc3)c(=O)n1N2,CI,0
COc1ccc(C=c2sc3n(c2=O)NC2(CCC(C)CC2)NN=3)cc1,CI,0
COc1ccc(C=c2sc3n(c2=O)NC2(CCCCC2)NN=3)cc1,CI,0
CC(=O)OC1CCC2OOC1O2,CI,0
OC1CCC2OOC1O2,CI,0
ClC1CCC2OOC1O2,CI,0
CC(C)(C)C1CCC(C[Se]c2ccccc2)([N+](=O)[O-])CC1,CI,0
O=[N+]([O-])C1(C[Se]c2cccc(C(F)(F)F)c2)CCCCC1,CI,0
CC(C)(C)C1CCC(C[Se]c2ccc(Cl)cc2)([N+](=O)[O-])CC1,CI,0
CN(C)CCn1cnc2ncccc2c1=O,CI,0
CN(C)CCCn1cnc2ncccc2c1=O,CI,0
CCCCN(CCCC)CCCn1cnc2ncccc2c1=O,CI,0
COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc(Cl)cc3)sc2c1,CI,0
CC(C)c1cccc2sc(NC(=O)C(=O)CC(=O)c3ccc(F)cc3)nc12,CI,0
COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1,CI,0
CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)OCC1=O,CI,0
CCOC(=O)C1=C(Nc2ccc(Br)cc2)OCC1=O,CI,0
CCOC(=O)C1=C(Nc2cccc(OC)c2)OCC1=O,CI,0
Cc1noc2cccc(O)c12,CI,0
CCc1noc2ccccc12,CI,0
CCCCCCCCCC(=O)Oc1cccc2onc(C)c12,CI,0
CCCCCCCCCCCc1noc2c1C(=O)C(O)CC2,CI,0
CCCCCCCCCCCc1noc2c1C(=O)CCC2,CI,0
Cc1noc2c1C(=O)CCC2,CI,0
O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)c1ccc2ccccc2c1,CI,0
O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc2ccccc2c1,CI,0
O=C(CCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc2ccccc2c1,CI,0
O=C1CCC(=O)C(C(=O)CCC(=O)Nc2ccc(Cl)cc2)C1,CI,0
O=C1CCC(=O)C(C(=O)CCC(=O)Nc2cccc(Cl)c2)C1,CI,0
Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CCC2=O)cc1C,CI,0
COc1ccc(NC(=O)CCC(CC(=O)c2ccco2)=NNC(N)=S)cc1,CI,0
NC(=S)NN=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)c1ccco1,CI,0
COc1ccc(NC(=O)CCC(CC(=O)c2ccco2)=NNC(=O)C(N)=O)cc1,CI,0
N#CCc1ccc(C(C#N)C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=NNC(N)=S)cc1,CI,0
COC(=O)NN=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)C(C#N)c1ccc(CC#N)cc1,CI,0
N#CCc1ccc(C(C#N)C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=NNC(=O)NN)cc1,CI,0
Cc1c(Cl)ccc2[s+]snc12.[Cl-],CI,0
Cc1cccc2ns[s+]c12.[Cl-],CI,0
Clc1ccc(Cl)c2[s+]snc12.[Cl-],CI,0
CC12CCC3C(CCC4CC(OC(=O)C=Cc5ccc(N(CCCl)CCCl)cc5)CCC43C)C1CCC(=O)N2,CI,0
CC12CCC3C(CCC4CC(OC(=O)C=Cc5cccc(N(CCCl)CCCl)c5)CCC43C)C1CCC(=O)N2,CI,0
CC12CCC3C(CCC4CC(OC(=O)C=Cc5ccccc5N(CCCl)CCCl)CCC43C)C1CCC(=O)N2,CI,0
COc1ccc2c(=O)oc3c(OC)cc(CCN(C)C)c4c(=O)oc1c2c34.Cl,CI,0
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,CI,0
CC(C)C(=O)Oc1cc2c(=O)oc3c(OC(=O)C(C)C)c(OC(=O)C(C)C)cc4c(=O)oc(c1OC(=O)C(C)C)c2c34,CI,0
CCCCCC1CCCC2C1CCC(CCCCCO)N2C(=O)OCC(Cl)(Cl)Cl,CI,0
CCCCCC1CCCC2C1CCC(CCCCCI)N2C(=O)OCC(Cl)(Cl)Cl,CI,0
CCCCCC1CCCC2C1CCC(CCC=CC(=O)OC)N2C(=O)OC(C)C(Cl)(Cl)Cl,CI,0
CC1CC[P+](C)(c2ccccc2)C1.[Br-],CI,0
IC[P+]1(c2ccccc2)CCCC1.[I-],CI,0
CC[P+]1(c2ccccc2)C(C)CCC1C.[I-],CI,0
O=C1OC2C(O)COC2(O)C1(O)Cc1cc(O)c(O)c(Br)c1Br,CI,0
COC1(Cc2cc(O)c(O)c(Br)c2Br)C(=O)OC2C(O)COC21O,CI,0
O=C1OC2C(O)COC2(O)C1(O)C(C[N+](=O)[O-])c1ccc(Cl)cc1,CI,0
[N-]=[N+]=NC12CC3C4CC5CC3C(C1)C(C5)C4C2,CI,0
[N-]=[N+]=NC12CC3CC4C5CC(CC41)CC2C5C3,CI,0
[N-]=[N+]=NC1C2CC3C4CC5CC3C1C(C5)C4C2,CI,0
O=c1oc2ccccc2cc1-n1nnc2cc([N+](=O)[O-])ccc21,CI,0
O=c1oc2ccc(Br)cc2cc1-n1nnc2cc([N+](=O)[O-])ccc21,CI,0
CCN(CC)c1ccc2cc(-n3nnc4ccccc43)c(=O)oc2c1,CI,0
Nc1nccc(CCc2ccccc2)n1,CI,0
Cc1cc(CC(O)c2ccc(Cl)c(Cl)c2)nc(O)n1,CI,0
Clc1ccc(CCc2ccncn2)c(Cl)c1,CI,0
CC1C2Cc3ccc(O)cc3C1(C)CCN2C,CI,0
C=CCC(C)C12CCNC(Cc3ccc(O)cc31)C2C,CI,0
CC(C)=CCC12Cc3ccc(O)cc3C(C(C)CN1)C2C,CI,0
C=C(C)CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C,CI,0
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C,CI,0
CC(CC=CC(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C,CI,0
CC(=O)ONC(=O)CSc1nn2cc(-c3ccccc3)nc2s1,CI,0
CC(=O)ONc1nn2cc(-c3ccccc3)nc2s1,CI,0
NS(=O)(=O)c1nn2c(Br)c(-c3ccccc3)nc2s1,CI,0
CCOC(=O)C1=C(C)C(=Cc2[nH]c(C)c(C(=O)OCC)c2C)N=C1C,CI,0
Br.CCC1=C(C)C(=Cc2[nH]c(CBr)c(CC)c2C)N=C1CBr,CI,0
Br.CCC1=C(C)C(=Cc2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br,CI,0
O=C(Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1)c1ccccc1,CI,0
CS(=O)(=O)OCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)CC1OS(C)(=O)=O,CI,0
O=C(Nc1ccn(C2CCC(CO)O2)c(=O)n1)c1ccccc1,CA,1
O=C(C=Cc1ccccc1)c1cc2c(cc1O)OCO2,CI,0
COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC,CI,0
O=C(C=Cc1ccc(O)cc1)c1ccc2c(c1)OCO2,CI,0
COC(=O)Nc1cn2nc(C)sc2n1,CI,0
CCCSc1nn2cc(NC(=O)OC)nc2s1,CI,0
CCOC(=O)Cc1nc2sc(S(N)(=O)=O)nn2c1Br,CI,0
Cc1cc(N=C2C=C(Br)C(=O)C(Br)=C2)cc(CN(CC(=O)O)CC(=O)O)c1O.[NaH],CI,0
CC(C)(C)C1=CC(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O,CI,0
CC(C)(C)C1=CC(=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O,CI,0
CSC1=Nc2cc3c(cc2C(=O)N2CC(OC(C)=O)CC12)OCO3,CI,0
CSC1=Nc2cc3c(cc2C(=O)N2CC(O)CC12)OCO3,CI,0
NNC1=Nc2cc3c(cc2C(=O)N2CC(O)CC12)OCO3,CI,0
Nc1cc(-c2ccc(Cl)cc2)nn1-c1nnc2c(n1)[nH]c1ccccc12,CI,0
Cn1c2ccccc2c2nnc(-n3nc(-c4ccccc4)cc3N)nc21,CI,0
Cn1c2ccccc2c2nnc(-n3nc(-c4ccc(Br)cc4)cc3N)nc21,CI,0
COC(=O)NC1(NC(=O)OC)NC(=O)c2ccccc2N1,CI,0
COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1,CI,0
COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)cc2N1,CI,0
O=[N+]([O-])c1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1,CI,0
COc1ccccc1C1=Nc2ccccc2N=C(c2ccccc2O)C1,CI,0
c1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)cc1,CI,0
COCCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,CI,0
CC(C)OC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,CI,0
COC(=O)C1=C(O)c2ccc(Cl)cc2S(=O)(=O)N1C,CI,0
CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccccc1,CI,0
CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc(N)cc(N)c1,CI,0
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65,CI,0
O=C(O)c1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C(=O)O)c8c1c2c(c34)c(c65)c78,CI,0
Cc1c(CSCC(=O)O)c(O)c2c(=O)c3c(O)c(CSCC(=O)O)c(O)c4c5c(O)c(CSCC(=O)O)c(O)c6c(=O)c7c(O)c(CSCC(=O)O)c(C)c8c1c2c(c34)c(c78)c65,CI,0
Cl[Sn](Cl)(c1ccccc1)c1ccccc1,CI,0
OCC(O)CCC[Sn](Br)(c1ccccc1)c1ccccc1,CI,0
CCOP(=O)(CP(=O)(OCC)OCC)OCC.Cl[Sn](Cl)(c1ccccc1)c1ccccc1,CI,0
CC(C)OC=C1CCc2ccccc2C1=O,CI,0
C=C1CCc2ccccc2C1=O,CI,0
CN(C)C=C1CCc2ccc([N+](=O)[O-])cc2C1=O,CI,0
O=C(O)c1cc2ccccc2c(=O)s1,CI,0
COC(=O)c1cc2ccccc2c(=O)s1,CI,0
O=c1sccc2ccccc12,CI,0
O=C1CS(=O)(=O)CN1N1CS(=O)(=O)CC1=O,CI,0
CC1N(N2C(=O)CS(=O)(=O)C2C)C(=O)CS1(=O)=O,CI,0
CC(C)C1N(N2C(=O)CS(=O)(=O)C2C(C)C)C(=O)CS1(=O)=O,CI,0
CCOC(=O)c1c(C)c(C(C)=O)c2ccccn12,CI,0
CCOC(=O)c1c(C)c(N=O)c2ccccn12,CI,0
Cc1cc2ccc([N+](=O)[O-])cn2c1,CI,0
C1=CN2C(c3ccccc3)=NON(c3ncccn3)C2N=C1,CI,0
Clc1ccc(C2=NON(c3ncccn3)C3N=CC=CN23)cc1,CI,0
O=[N+]([O-])c1cccc(C2=NON(c3ncccn3)C3N=CC=CN23)c1,CI,0
CC1=CC2OC(=O)C3(C)C2C(CC2(C)OC1=CC2=O)OC3(O)C(C)C,CI,0
CCC(C)C1(O)OC2CC3(C)OC(=CC3=O)C(C)=CC3OC(=O)C1(C)C32,CI,0
C=C(C)C1(O)OC2CC3(C)OC(=CC3=O)C(C)=CC3OC(=O)C1(C)C32,CI,0
O=C1Nc2ccccc2C1=c1sc2nc3ccccc3n2c1=O,CI,0
CN1C(=O)C(=c2sc3nc4ccccc4n3c2=O)c2ccccc21,CI,0
O=C1Nc2ccc(Br)cc2C1=c1sc2nc3ccccc3n2c1=O,CI,0
O=C(NCCCCNCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,CI,0
CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccccc1)CCCNC(=O)c1ccccc1,CI,0
O=C(NCCCCNCCCNC(=O)c1ccccc1)c1ccccc1,CI,0
CNC(=O)SC1=Nc2cc(Cl)ccc2S(=O)(O)=N1,CM,1
CNC(=S)SC1=Nc2ccccc2S(=O)(O)=N1,CI,0
CC1=Nc2ccccc2S(=O)(O)=N1,CI,0
O=S(=O)(O)c1ccc(OCCCCCCCCCCOc2ccc(S(=O)(=O)O)cc2)cc1,CI,0
CCCNC(C#N)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)NCCC)cc2)cc1,CI,0
N#CC(N)c1ccc(OCCCCCCCCCCOc2ccc(C(N)C#N)cc2)cc1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)c(OC)c1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)cc1,CI,0
COc1cc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)cc(OC)c1OC,CI,0
CN1c2ccccc2S(=O)(=O)n2c(COc3ccccc3)nnc21,CI,0
CN1c2ccccc2S(=O)(=O)n2c(COc3ccc(Cl)cc3)nnc21,CI,0
Cc1cc(OCc2nnc3n2S(=O)(=O)c2ccccc2N3C)ccc1Cl,CI,0
COC(=O)c1c(COC(=O)NC(C)C)c2n(c1C)CS(=O)(=O)C2,CI,0
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CS(=O)(=O)C2,CI,0
CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CS(=O)(=O)C2,CI,0
O=[N+]([O-])c1ccc2c(c1)N=C1OC(c3ccccc3)C(O)=C1N2,CI,0
Cc1cc2c(cc1C)NC1=C(O)C(c3ccccc3C)OC1=N2,CI,0
COc1ccccc1C1OC2=Nc3ccccc3NC2=C1O,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3)C(=Nc3ccccc3S2)N1c1ccccn1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1,CI,0
CN(C)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1,CI,0
COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1,CI,0
Oc1ccccc1C(c1cc2c(cc1O)OCO2)N1CCOCC1,CI,0
Nc1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1,CI,0
Cc1cc(C(O)CCCc2ccccc2)cc(C)c1O,CI,0
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,CI,0
O=C1CSC(c2ccccc2Cl)N1N1C(=O)CSC1c1ccccc1Cl,CI,0
O=C1CSC(c2cccc(Cl)c2)N1N1C(=O)CSC1c1cccc(Cl)c1,CI,0
O=C1CSC(c2ccc(Cl)cc2)N1N1C(=O)CSC1c1ccc(Cl)cc1,CI,0
Cc1c(O)c2ccccc2c2c1sc(NCCCN(CCO)CCO)[n+]2C,CI,0
Cc1c(O)c2ccccc2c2c1sc(NCCO)[n+]2C,CI,0
Cc1sc2ccc3ccccc3c2[n+]1C,CI,0
c1ccc2c(c1)[nH]c1c2nc2sccn21,CI,0
Cl.c1ccc2c(c1)[nH]c1c2nc2sccn21,CI,0
Clc1ccc2c(c1)[nH]c1c2nc2sccn21,CI,0
C=C1C(=O)C23CC1C(O)C(OC(C)=O)C2C1(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C)C1CC3OC(C)=O,CI,0
C=C1C(=O)C23C(O)CC4C(C)(C)CCCC4(COC(C)=O)C2C(O)CC1C3O,CI,0
C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(COC(C)=O)C2CCC1C3O,CI,0
OCCN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1,CI,0
CC(=O)OCCN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1,CI,0
CC(C)N1CCOC(c2ccc(O)c(O)c2)C1.Cl,CI,0
CCNCC.C[c-]1c(=O)n(O)c2ccccc2[n+]1=O,CI,0
COCC(O)COn1c(=O)[c-](C#N)[n+](=O)c2ccccc21,CI,0
N#C[c-]1c(=O)n(O)c2ccccc2[n+]1=O,CI,0
C(=NNc1nnc2c(n1)[nH]c1ccccc12)c1cccnc1,CI,0
Brc1ccc2[nH]c3nc(NN=Cc4cccnc4)nnc3c2c1,CI,0
Cn1c2ccccc2c2nnc(NN=Cc3cccnc3)nc21,CI,0
CC(=O)O.Nc1nc(O)nc2nc3c(nc12)-c1cccc2cccc-3c12,CI,0
CN(C)C=O.Oc1nc(O)c2nc3c(nc2n1)-c1cccc2cccc-3c12,CI,0
CC(=O)O.Nc1nc(O)nc2nc3c(nc12)-c1cccc2cccc-3c12.O=S(=O)(O)O,CI,0
CC(C)=CCc1cc2c(cc1O)OCC1c3cc4c(cc3OC21)OCO4,CI,0
Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4,CI,0
COc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccccn1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cccnc1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.Cc1cccc(C=NNC(=N)NO)n1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N2CCOCC2)C(O)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N2CCOCC2C#N)C(O)C(C)O1,CI,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N2CCOCC2)C(O)C(C)O1.Cl,CI,0
CCOC(=O)c1ccc2c(O)nnc(CO)c2c1,CI,0
NCCCCNc1ccc2c(O)nnc(O)c2c1,CI,0
O=CNc1cccc2c(O)nnc(O)c12,CI,0
O=c1oc(NCCCl)nc2ccccc12,CI,0
CS(=O)(=O)Nc1nc2ccccc2c(=O)o1,CI,0
O=c1oc(C(C(F)(F)F)C(F)(F)F)nc2ccccc12,CI,0
COc1ccc(-c2nnc3cc(C)n4nnnc4n23)cc1OC,CI,0
Cc1cc2nnc(-c3cccc([N+](=O)[O-])c3)n2c2nnnn12,CI,0
Cc1cc2nnc(-c3ccc(C#N)cc3)n2c2nnnn12,CI,0
N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc3ccccc23)cc1,CI,0
CC(Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1c2ccccc2nc2ccccc12,CI,0
COc1cc(NS(C)(=O)=O)ccc1NCc1c2ccccc2nc2ccccc12,CI,0
Cc1n[nH]c2c1NC(=O)OCC2,CI,0
Cc1n[nH]c2c1NC(=O)OC(C)C2,CI,0
Cc1n[nH]c2c1NC(=O)OC(C)(C)C2,CI,0
Cn1c(=O)n2n(c1=O)C1(CCO)CCC2(CCO)CC1,CI,0
C=CC12CCC(CC1)n1c(=O)n(C)c(=O)n12,CI,0
Cn1c(=O)n2n(c1=O)C1CCC2CC1,CI,0
O=C1CN(c2ccccc2)CC(=O)N2C(c3ccccc3)CCCN12,CI,0
Cc1ccc(N2CC(=O)N3CCCC(c4ccccc4)N3C(=O)C2)cc1,CI,0
CCOc1ccc(N2CC(=O)N3CCCC(c4ccccc4)N3C(=O)C2)cc1,CI,0
CCN(CC)CCN1CC(=O)N2CCCCN2C(=O)C1.O=C(O)C(=O)O,CI,0
CCN(CC)CCCN1CC(=O)N2CCCCN2C(=O)C1,CI,0
CC(C)CN1CC(=O)N2CCCC(C)N2C(=O)C1,CI,0
CCN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21,CI,0
Cc1cc(=O)oc2cc3c(cc12)CCCN3,CI,0
O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCCC3,CI,0
O=C(Nc1ccccc1)c1c(O)nc(S)nc1O,CI,0
O=C(Nc1ccccc1)c1c(O)nc(O)nc1O,CI,0
O=C(Nc1cccc(F)c1)c1c(O)nc(S)nc1O,CI,0
CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc(C)n1,CI,0
CCCC(=NNC(=S)N1CC2CCC(CC2)C1)c1ccccn1,CI,0
S=C(NN=Cc1ccccn1)N1CC2CCC(CC2)C1,CI,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2,CI,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)CN2,CI,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)cc1Cl)CN2,CI,0
C#CCSc1nnnn1-c1ccccc1,CI,0
C#CCSc1nnnn1-c1ccc(Br)c(C)c1,CI,0
CN(C)C=Cc1nnnn1-c1ccc(I)cc1,CI,0
N#CC(=Cc1cc(Cl)cc(Cl)c1O)c1nc2ccccc2[nH]1,CI,0
N#CC(=Cc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1,CI,0
COc1cccc(C=C(NC(C)=O)c2nc3cc(Cl)ccc3[nH]2)c1,CI,0
CC(=NNC(=S)N1CCCCCC1)c1ccccn1,CI,0
S=C(NN=Cc1ccccn1)N1CCCCCC1,CI,0
Cc1cccc(C=NNC(=S)N2CCCCCC2)n1,CI,0
COC(=O)Nc1cn2ccc(C(Cl)=C(Cl)Cl)cc2n1,CI,0
Cl.N=C(N)SCc1cn2ccccc2n1,CI,0
Cl.N=C(N)SCCc1cn2ccccc2n1,CI,0
C=C1SC(=Nc2c(C)cccc2C)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2,CI,0
C=C1SC(=Nc2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2,CI,0
C=C1SC(=Nc2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2,CI,0
COC(OC)C(C)=NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1,CI,0
CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1,CI,0
CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1.O=C(O)C=CC(=O)O,CI,0
OCCC[N+]12CCCN1CCC2,CI,0
BrCC[N+]12CCCN1CCC2.[Br-],CI,0
OCC[N+]12CCCN1CCC2.[Br-],CI,0
O=C1OC2CSCC2O1,CI,0
CC(=O)OC1SCC2OC(=O)OC21,CI,0
CC(=O)OC1SC(OC(C)=O)C2OC(=O)OC12,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1,CI,0
COc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O,CI,0
Nc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O,CI,0
Cc1cnc2c(c1)CCCC2C(N)=S,CI,0
N#Cc1c(O)nc2c(c1C#N)CCCC2,CI,0
CCOC(=O)C=C(C)Nc1nc2c(c(C(=O)OC)c1C#N)CCCC2,CI,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Br)cn1,CI,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ncc(Cl)cc1Cl,CI,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ncc(Br)cc1Br,CI,0
CN(C)C(=S)N=c1ssc(=NC(=S)N(C)C)n1-c1ccccc1,CI,0
CN(C)C(=S)N=c1ssc(=NC(=S)N(C)C)n1-c1ccc([N+](=O)[O-])cc1,CI,0
CN=c1ssc(=NC(=S)N(C)C)n1-c1ccccc1,CI,0
CS1(=O)=NC(=N)c2ccccc21,CI,0
CS1(=O)=NC(=NC#N)c2ccccc21,CI,0
C=CCNC(=S)N=C1N=S(C)(=O)c2ccccc21,CI,0
NC1=NS(=O)(O)=NC(N)=C1N=Nc1ccccc1,CI,0
NC1=NS(=O)(O)=NC(N)=C1N=Nc1cccc(Cl)c1,CI,0
NC1=NS(=O)(O)=NC(N)=C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NCCO,CI,0
CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(C)(C)CO,CI,0
CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(CO)CC(C)C,CI,0
O=C1c2cc(Cl)ccc2OC2CCON12,CI,0
O=C1c2cc(Br)ccc2OC2CCON12,CI,0
CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1,CI,0
Cc1nnc(Cc2ccccc2)c2[nH]nc(C)c12,CI,0
COc1ccc(Cc2nnc(C)c3c(C)n[nH]c23)cc1,CI,0
COc1ccc(Cc2nnc(C)c3c(C)n[nH]c23)cc1OC,CI,0
O=C(O)c1cc(=O)c2cc3c(cc2o1)OCc1ccccc1-3,CI,0
CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc(O)cc21,CI,0
COc1ccc2c(c1)C(C)(C)Oc1cc3oc(C(=O)O)cc(=O)c3cc1-2,CI,0
O=C1C2=Nc3ccccc3C(O)N2c2ccccc21,CI,0
O=C1C2=Nc3ccccc3C(O)(C(=O)O)N2c2ccccc21,CI,0
COC(=O)C1(O)c2ccccc2N=C2C(=O)c3ccccc3N21,CI,0
CC(=O)OC1C=CN(C(C)=O)C(SC(C)(C)C)C1(C)O,CI,0
CC1=C(C(=O)NC(C)(C)C)CC(C(=O)NC(C)(C)C)C(C)N1,CI,0
CCN(CC)CCN1C=CC(C)C(C(=O)O)C1C(N)=O,CI,0
O=c1c(=Cc2ccccc2)sc2nc(-c3ccccc3)nn12,CI,0
COc1ccc(C=c2sc3nc(-c4ccccc4)nn3c2=O)cc1,CI,0
O=c1c(=Cc2ccc(Cl)cc2)sc2nc(-c3ccccc3)nn12,CI,0
COc1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3nc2-c2ccc(OC)cc2)cc1,CI,0
CN(C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3nc2-c2ccc(N(C)C)cc2)cc1,CI,0
Cn1c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)c(Cl)c3)nc2n(C)c1=O,CI,0
CCOC(=O)C1CC(=NOC(C)=O)c2ccc(OC)c(OC)c2C1,CI,0
NC(=S)NN=C1CCCc2ccccc21,CI,0
NC(=O)NN=C1CCCc2ccccc21,CI,0
Cn1nc(-c2ccc(Cl)c(Cl)c2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2,CI,0
Cn1nc(-c2ccc(Cl)cc2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2,CI,0
CN(C)c1ccc(-c2nn(C)c3nc(=O)n(C)c(=O)c-3[n+]2[O-])cc1,CI,0
COc1ccccc1N1C(=O)CSC1=Nc1ccccc1,CI,0
O=C1CSC(=Nc2ccccc2F)N1c1ccccc1F,CI,0
Cc1ccccc1N=C1SCC(=O)N1c1ccccc1C,CM,1
O=S(=O)(OC=C1CCCCC1)C(F)(F)F,CI,0
C[Si](C)(C)OC=C1CCCCC1,CI,0
O=P(O)(O)C=C=C1CCCCC1,CI,0
N#CC12C3C4C5C3C1C(C42)n1c(=O)n(-c2ccccc2)c(=O)n15,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C5C3C2C5(F)C41,CI,0
N#CC12C3C4C5C3C1n1c(=O)n(-c3ccccc3)c(=O)n1C5C42,CI,0
Cc1ccc(C)c2c1C(=O)N(c1ccccc1)C2=O,CI,0
Nc1ccc(N)c(N2C(=O)c3ccccc3C2=O)c1,CI,0
COc1ccc(N)c(N2C(=O)c3ccccc3C2=O)c1,CI,0
Nc1[nH][nH]c(=O)c1N=O,CI,0
CCN(CC)C(=O)Cc1[nH][nH]c(=O)c1C(=O)N(CC)CC,CI,0
NNC(=O)c1cc(=O)[nH][nH]1,CI,0
C=C1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O,CI,0
C=C1C(=O)C23C(O)C1CCC2C12CCCC(C)(C)C1C(O)C3(O)OC2,CI,0
C=C1C(=O)C23C(O)C1CCC2C12CCCC(C)(COC(C)=O)C1C(O)C3(O)OC2,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC=C(c3ccccc3)c3ccccc3)CCC12,CI,0
CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CCC12,CI,0
COc1ccc(C(=CCC(C)C2CCC3C4C(OC(C)=O)CC5CC(OC(C)=O)CCC5(C)C4CC(OC(C)=O)C23C)c2ccc(OC)cc2)cc1,CI,0
CCOC(=O)C[N+]1(C)CCC(O)CC1,CI,0
CCCCCCCCCCCCCCCCCCOP(O)(=[OH+])OC1CC[N+](C)(C)CC1,CI,0
CCCCCCCCCCCCCCCCCCOCC(C[N+]1(C)CCC(O)CC1)OCC.[Br-],CI,0
C[N+]1(CC(=O)O)C2CCC1CC(O)C2,CI,0
CCOC(=O)C[N+]1(C)C2CCC1CC(O)C2,CI,0
C[N+]1(CCO)C2CCC1CC(O)C2,CI,0
O=C(O)c1ccsc1C(=O)c1ccccc1,CI,0
CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,CI,0
COc1cc(OC)c(C(=O)c2cccs2)cc1N,CI,0
COC1CC(CC(C)O)CN(C#N)CCc2c1[nH]c1ccccc21,CI,0
COC1CC(CC(C)=O)CN(C#N)CCc2c1[nH]c1ccccc21,CI,0
COC(=O)C(CC1CC(OC(C)=O)c2[nH]c3ccccc3c2CCN(C(C)=O)C1)C(=O)OC,CI,0
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,CI,0
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(OC(=O)CN(C)C)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C.CS(=O)(=O)O,CI,0
CCN(CC)CCC(=O)OC1C(C)=CC(C)C(=O)CC(C(C)CC2CCC(O)C(OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C1OC.Cl,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1onc(C)c1C,CI,0
COc1ccc(NC(=O)Nc2onc(C)c2C)c(Cl)c1,CM,1
Cc1noc(NC(=O)Nc2ccccc2C(F)(F)F)c1C,CI,0
O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1,CI,0
CCc1cccc(CC)c1NC(=S)NC(=O)c1ccc(Br)cc1,CI,0
O=C(COc1ccc(Cl)cc1)c1ccccc1,CI,0
COc1ccc(C(=O)C(CO)Oc2ccccc2OC)cc1OC,CI,0
COc1cc(C(=O)C(CO)Oc2ccccc2OC)ccc1O,CI,0
C=C1CC[N+]2(CC(C)C)CCCC12,CI,0
C=C1CC[N+]2(C)CCCC12,CI,0
C=C1CC[N+]2(CCCCCC)CCCC12,CI,0
COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)c(OC)c1OC,CI,0
Clc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)c2c1,CI,0
COc1cc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC,CI,0
S=C1NCCO1,CI,0
COC(=O)C1COC(=S)N1C(=O)C(C)C(O)C(C)C,CI,0
O=CC(O)C(O)C(O)C1CNC(=S)O1,CI,0
Cc1c(-c2ccccc2)sc(N)c1C#N,CI,0
COc1ccc(-c2sc(N)c(C#N)c2C)cc1OC,CI,0
O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1,CI,0
COc1ccc(OC)c(-c2csc(=O)s2)c1,CI,0
O=c1scc(-c2ccc(C(F)(F)F)cc2)s1,CI,0
O=c1scc(-c2ccc([N+](=O)[O-])cc2)s1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCCCCCCN(N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4)C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1,CI,0
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCc1ccccn1,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCc1ccccn1,CI,0
CCSc1ccc2c3c(cccc13)C(=O)N(CCc1ccccn1)C2=O,CI,0
NC1(CSS(=O)(=O)O)CCN1,CI,0
CCC1([N+](=O)[O-])CN(N=O)C1,CI,0
CCC1(O[N+](=O)[O-])CN([N+](=O)[O-])C1,CI,0
CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1[N+](=O)[O-],CI,0
CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1Br,CI,0
CCOC(=O)C(=O)c1c([N+](=O)[O-])[nH]c2c(OC)n[n+]([O-])cc12,CI,0
CC1(C)CC(=O)C2C(C1)Nc1ccccc1NC2c1ccccc1[N+](=O)[O-],CI,0
CC1(C)CC(=O)C2C(C1)Nc1ccccc1NC2c1cccc([N+](=O)[O-])c1,CI,0
COc1ccc(C2Nc3ccccc3NC3CC(C)(C)CC(=O)C32)cc1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COc1cccc(CN2CCCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)c1,CI,0
COc1ccc(CN2CCCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)cc1,CI,0
CCOC1(OCC)CC2C(=O)CCCC21OC(C)=O,CI,0
COC1(OC)CC2C(=O)CCCC21OC,CI,0
COC1(OC)CC2C(=O)CCCC21OC(C)=O,CI,0
N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1,CI,0
N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1,CI,0
N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccccc1,CI,0
N=S(=O)(c1ccccc1)c1ccccc1,CI,0
N=S(=O)(c1ccccc1)c1ccccc1[N+](=O)[O-],CM,1
CN=S(=O)(c1ccccc1)c1ccccc1,CM,1
CC(C)(C)C1COP(C)(=S)OC1.CC(C)(C)C1COP(C)(=S)OC1,CI,0
CC(C)(C)C1COP(=S)(C(C)(C)C)OC1.CC(C)(C)C1COP(=S)(C(C)(C)C)OC1,CI,0
COP1(=S)OCC(C(C)(C)C)CO1.COP1(=S)OCC(C(C)(C)C)CO1,CI,0
CNCCCC1c2ccccc2C=Cc2ccccc21,CI,0
NC(=O)C1c2ccccc2C=Cc2ccccc21,CI,0
COc1cc2c(cc1OC)C(CCl)c1cc(OC)c(OC)cc1C=C2,CI,0
COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2,CI,0
COc1ccc(CCC2NCCc3cc(OC)c(OC)cc32)cc1.Cl,CI,0
COc1ccc(CCC2c3cc(OC)c(OC)cc3CCN2C)cc1OC,CI,0
CCC(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,CI,0
O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,CI,0
CNC(=O)N1CN(c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O,CI,0
N#CC1CC(c2ccccc2)=NC1c1ccccc1,CI,0
COC(=O)C1C(c2ccccc2)=NC(c2ccccc2)C1C(=O)OC,CI,0
COC(=O)C1(C)CC(c2ccccc2)=NC1c1ccccc1,CI,0
CC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1,CI,0
CCC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1,CM,1
CC1=C2C(=C(CBr)OS1(=O)=O)C(=O)c1ccccc12,CI,0
COc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc(OC)n1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nc(C)n1,CI,0
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,CI,0
COC(=O)C1CC2c3[nH]c4ccccc4c3CCN2C1,CI,0
OCC1CC2c3[nH]c4ccccc4c3CCN2C1,CI,0
c1ccc2c3c([nH]c2c1)C1CCCN1CC3,CI,0
COc1ccc2c(c1)C(=O)C13CC(C(=O)N(C)C)C(OC(C)=O)(CCC21)C3,CI,0
COC(=O)C1CC23CC1(OC(C)=O)CCC2c1ccc(OC)cc1C3=O,CI,0
COc1ccc2c(c1)C(=O)C13CC(C(=O)O)C(OC(C)=O)(CCC21)C3,CI,0
COc1cccc(C=Cc2nc3ccccc3nc2C=Cc2cccc(OC)c2OC)c1OC,CI,0
COc1ccc(C=Cc2nc3ccccc3nc2C=Cc2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1cc(C=Cc2nc3ccccc3nc2C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
COc1ccccc1C=c1[nH]c(=O)c(=Cc2ccccc2OC)[nH]c1=O,CI,0
COc1cccc(C=c2[nH]c(=O)c(=Cc3cccc(OC)c3OC)[nH]c2=O)c1OC,CI,0
CN(C)c1ccc(C=c2[nH]c(=O)c(=Cc3ccc(N(C)C)cc3)[nH]c2=O)cc1,CI,0
COc1cccc(C=Cc2nccc3ccccc23)c1OC,CI,0
COc1cc(OC)c(OC)cc1C=Cc1nccc2ccccc12,CI,0
COc1cc(OC)c(C=Cc2nccc3ccccc23)c(OC)c1,CI,0
Cc1ccc(C2=Nn3c(n[nH]c3=S)NN2)cc1,CI,0
COc1cc(OC)cc(C2=Nn3c(n[nH]c3=S)NN2)c1,CI,0
S=c1[nH]nc2n1N=C(c1ccccc1)NN2,CI,0
NC(=O)NN=C1CCN2CCCc3cccc1c32,CI,0
COc1cc2c3c(c1)C(=NN)CCN3CCC2,CI,0
NN=C1CCN2CCCc3cccc1c32,CI,0
Cc1nc(N)nc2c1CCC(=O)N2,CI,0
CC1Cc2c(N)nc(NN)nc2NC1=O,CI,0
CC1Cc2c(Br)nc(N)nc2NC1=O,CI,0
CCOC(=O)c1c(N)sc2c1CCCCC2,CI,0
CCOC(=O)c1c(N)sc2c1C(C(=O)OCC)CCCC2,CI,0
CCOC(=O)C1CCCCc2sc(N)c(C#N)c21,CI,0
CN1CCC2(CC1)SSC1(CCN(C)CC1)S2,CI,0
CS(=O)(=O)OCCN1CCC2(CC1)SSC1(CCN(CCOS(C)(=O)=O)CC1)S2,CI,0
O=C(CBr)N1CCC2(CC1)SSC1(CCN(C(=O)CBr)CC1)S2,CI,0
COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1,CI,0
COc1ccc2c(c1)c1c(C)c3c[n+](C)ccc3c(C)c1n2C,CI,0
Cc1c2cc[n+]([O-])cc2c(C)c2c1[nH]c1ccccc12,CI,0
COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(C)=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2,CI,0
CCC(=O)N(C)C(C)C(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C,CI,0
COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)C(C)C)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2OC,CI,0
Cc1ccc2c(c1)-c1[nH]c3ccccc3c1CS2,CI,0
CC1Sc2ccccc2-c2[nH]c3ccccc3c21,CI,0
Cc1ccc2c(c1)SCc1c-2[nH]c2ccccc12,CI,0
O=C1c2ccccc2C(=O)C1(Br)C(Cl)c1ccccc1,CI,0
O=C1c2ccccc2C(=O)C1(Br)C(Br)c1ccccc1,CI,0
O=C1c2ccccc2C(=O)C1(Cl)C(Cl)c1ccc([N+](=O)[O-])cc1,CI,0
OC(c1ccsc1)c1ccsc1,CI,0
O=C(O)c1sccc1Cc1ccsc1,CI,0
Brc1cscc1Cc1cscc1Br,CI,0
CC(C)(c1cccs1)c1cscc1C(=O)O,CI,0
CC(C)(c1ccsc1)c1sccc1C(=O)O,CI,0
O=C(O)c1cscc1Cc1cccs1,CI,0
CCOC(=O)C=C1Nc2cc(Cl)c(Cl)cc2NC1=O,CI,0
O=C1Nc2ccccc2NC1=CC(=O)C(F)F,CI,0
CCOC(=O)C=C1Nc2cc(F)c(F)cc2NC1=O,CI,0
COc1ccc(CC2NCC(O)C2OC(C)=O)cc1,CI,0
CCSC1(SCC)CC(Cc2ccc(OC)cc2)N(C=NC(C)(C)C)C1,CI,0
CCCCCCCCCC1CC(O)C(Cc2ccccc2)N1C(=O)OC(C)(C)C,CI,0
CC1(Br)OC(=O)C(C)(Br)OC1=O,CI,0
O=C1OC(Cl)(C(Cl)(Cl)Cl)C(=O)OC1(Cl)C(Cl)(Cl)Cl,CI,0
CC1(C)OC(=O)C(C)(C)OC1=O,CI,0
CC1(C)C(=O)C(C)(C)C1O,CI,0
CCOC(=O)C1C(=O)CC1(C)C,CI,0
CCCCCCC1CC(=O)C1(Cl)Cl,CI,0
Nc1ncnc2oc(-c3ccccc3)nc12,CI,0
N#Cc1ccc(-c2nc3c(N)ncnc3o2)cc1,CI,0
CCc1nc(N)c2nc(-c3ccc(C#N)cc3)oc2n1,CI,0
C=C1C(=O)OC2CC(C)C(C=CC(C)=O)=CCC12,CI,0
C=C1C(=O)OC2CC(C)C(C(CC(C)=O)OC(C)=O)=CCC12,CI,0
C=C1C(=O)OC2CC(C)C(C(O)CC(C)O)=CCC12,CI,0
CCC(C)(O)C(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O,CI,0
CC(C)=CC(=O)OC1C2C(C)=CC(=O)C(O)C2(C)C2C3(O)OCC24C(CC(=O)OC14)C(C)C3O,CI,0
CCC(O)(CC(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O)C(C)C,CI,0
CC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(O)C12)C(C)O,CI,0
CCC[N+]12CC=C(CO)C1C(O)CC2,CI,0
[B+2][N+]12CC=C(COC(=O)C(O)(C(C)C)C(C)O)C1C(O)CC2,CI,0
CC1=C(C#N)C2(C(=O)Nc3ccccc32)C(C#N)=C(C)N1,CI,0
CC1=C(C#N)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(C)N1,CI,0
N#CC1=C(O)NC(O)=C(C#N)C12C(=O)Nc1ccccc12,CI,0
CC1OC(n2cnc3c(O)ncnc32)C(O)C(O)C1O,CI,0
CC(=CCNc1ncnc2c1ncn2C1CCCCO1)COP(=O)(O)O,CI,0
Nc1ncnc2c1ncn2C1OC(CO)C(O)C(O)C1O,CI,0
Oc1cccc2ccc(SSc3ccc4cccc(O)c4n3)nc12,CI,0
c1ccc2nc(SSc3ccc4ccccc4n3)ccc2c1,CI,0
Cc1cc(SSc2cc(C)c3ccccc3n2)nc2ccccc12,CI,0
O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1,CI,0
CC1CCCC(C(O)CC2CC(=O)NC(=O)C2)C1O,CI,0
CC1CCC(O)C(C(O)CC2CC(=O)NC(=O)C2)C1,CI,0
NC1CSSCC(C(=O)O)NC1=O,CI,0
CCOC(=O)C1CSSCC(N)C(=O)N1,CI,0
CCCCOC(=O)C1CSSCC(NC(C)=O)C(=O)N1,CI,0
OCC1OC(n2cnc3c(SSc4ncnc5c4ncn5C4OC(CO)C(O)C4O)ncnc32)C(O)C1O,CI,0
Nc1nc(SSc2nc(N)nc3c2ncn3C2CC(O)C(CO)O2)c2ncn(C3CC(O)C(CO)O3)c2n1,CI,0
Nc1nc(SSc2nc(N)nc3c2ncn3C2OC(CO)C(O)C2O)c2ncn(C3OC(CO)C(O)C3O)c2n1,CI,0
O=C1CC(Cc2n[nH]c3c2CCCC3)CC(=O)N1,CI,0
CC1CCc2[nH]nc(CC3CC(=O)NC(=O)C3)c2C1,CI,0
CC1CCCc2c(CC3CC(=O)NC(=O)C3)n[nH]c21,CI,0
COC(=O)C(CCCNC(=N)N[N+](=O)[O-])NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
O=C(O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C,CI,0
Cc1ccc(-c2cc(=S)ss2)cc1,CI,0
S=c1cc(-c2ccccc2)ss1,CI,0
N#Cc1c(-c2ccccc2)ssc1=S,CI,0
O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2n1CCN=2,CI,0
O=c1c(=Cc2ccccc2Cl)sc2n1CCN=2,CI,0
COc1ccc(C=c2sc3n(c2=O)CCN=3)cc1,CI,0
O=C1CCCc2nc(O)ccc21,CI,0
O=C(O)Cc1cc(O)nc2c1C(=O)CCC2,CI,0
COC(=O)Cc1cc(O)nc2c1C(=O)CCC2,CI,0
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,CI,0
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12C,CI,0
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,CI,0
N=c1ncn(C(N)=O)[nH]1,CI,0
CCOC(=O)CCn1cnc(=N)[nH]1,CI,0
Cn1[nH]c(=N)nc1N=S(C)(C)=N,CI,0
COc1cc(O)c2c(c1O)C(=O)c1cc(C)ncc1C2=O,CI,0
O=C1c2ccncc2C(=O)c2c(O)ccc(O)c21,CI,0
COc1ccc2c(c1OC)C(=O)c1cnccc1C2=O,CM,1
CCOC(=O)c1cc2ccccc2cc(C(=O)OCC)c1=O,CI,0
COc1c(OC)c(N)c2cc(C)c(=O)c(C)cc2c1N,CI,0
COC(=O)c1cc2cc(OC)c(OC)cc2cc(C(=O)OC)c1=O,CI,0
CCOC(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)OCC,CI,0
CCOC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21,CI,0
CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21,CI,0
COc1ccc2c(c1)CCc1cnoc1-2,CI,0
COc1cc2c(c(OC)c1OC)CCc1cnoc1-2,CI,0
COc1cc2c(c(OC)c1OC)-c1oncc1CC2,CM,1
CC(C)(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F,CI,0
CCOC(=O)C=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CI,0
CSc1nnc(CF)c(O)n1,CI,0
NNC(=O)c1nnc(NN)nc1O,CI,0
CC(C)Sc1nncc(C(=N)NO)n1,CI,0
C[N+]12CCCc3cccc(c31)CCC2,CI,0
C[N+]12CCCc3cc(CO)cc(c31)CCC2,CM,1
COc1cc2c3c(c1)C(O)CC[N+]3(C)CCC2,CI,0
COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2,CI,0
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,CI,0
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],CM,1
CC(=O)OC1Cn2ccc[n+]2C1,CI,0
OC1Cn2cc(Br)c[n+]2C1,CI,0
Cc1ccn2[n+]1CC(O)C2,CI,0
COc1ccc2c(c1)OCC(O)(c1ccccc1)C2O,CI,0
O=C(O)c1ccc(C2COc3ccc(Cl)cc3C2)cc1,CI,0
Oc1ccc2c(c1)OCC(O)(c1ccccc1O)C2,CI,0
CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C,CM,1
CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C,CI,0
CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C,CI,0
O=C(O)c1cc2cc3c(cc2c2ccccc12)OCO3,CI,0
COc1cc2cc(OC(C)=O)c3cc4c(cc3c2c(OC)c1OC)OCO4,CI,0
COc1cc2cc(OC)c3cc4c(cc3c2c(OC)c1OC)OCO4,CI,0
S=P1(c2ccccc2)Nc2ccc(Cl)cc2N1,CI,0
Cc1cc(C)c2c(c1)NP(=S)(c1ccccc1)N2,CI,0
CN1c2ccccc2N(C)P1(=S)c1ccccc1,CI,0
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,CI,0
c1ccc2cc(SSc3ccc4ccccc4c3)ccc2c1,CI,0
Nc1c(SSc2ccc3ccccc3c2N)ccc2ccccc12,CI,0
Brc1ccc(N2N=NC3C4CC(C5CCCC54)C32)cc1,CI,0
CCOC(=O)c1ccc(N2N=NC3C4CC(C5CCCC54)C32)cc1,CI,0
c1ccc(N2N=NC3C4CC(C5CCCC54)C32)cc1,CI,0
CCOC(=O)C(C(=O)OCC)C(c1ccc(OC)cc1)N1CCN(C(c2ccc(OC)cc2)C(C(=O)OCC)C(=O)OCC)CC1,CI,0
COc1ccc(C(C)=O)cc1CN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1,CI,0
N#CC(c1ccc(O)cc1)N1CCN(C(C#N)c2ccc(O)cc2)CC1,CI,0
O=C(O)c1onc2ccccc12,CI,0
c1ccc2nocc2c1,CI,0
O=C(O)c1onc2cc([N+](=O)[O-])ccc12,CI,0
CN(C)c1ccc(C=C2C(=O)Nc3ccccc32)cc1,CI,0
COc1ccc(C=C2C(=O)N(NC(C)=O)c3ccccc32)cc1,CI,0
COc1ccc(C=C2C(=O)Nc3ccccc32)cc1OC,CI,0
Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CI,0
COc1ccc(Cc2cc(Cc3ccc(OC)cc3)cc(Cc3ccc(OC)cc3)c2)cc1,CI,0
COC(=O)c1ccc(Cc2cc(Cc3ccc(C(=O)OC)cc3)cc(Cc3ccc(C(=O)OC)cc3)c2)cc1,CI,0
O=S(=O)(SS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
O=S(=O)(SS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)SS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
C=C1C(=O)OC2C1CCC(C)C1(O)CCC(=O)C21C,CI,0
C=C1C(=O)OC2C1CCC(C)C1CCC(=O)C12C,CI,0
C=C1C(=O)OC2C1CCC(C)C1(O)C(O)CC(=O)C21C,CI,0
CC(=O)c1c(-c2ccc(O)cc2)oc2cc(O)ccc12,CI,0
CC(=O)Oc1cc(OC(C)=O)c(CC=C(C)C)c(-c2cc3ccc(OC(C)=O)c(CC=C(C)CCC=C(C)C)c3o2)c1,CI,0
CC(C)=CCCC(C)=CCc1c(O)ccc2cc(-c3cc(O)cc(O)c3CC=C(C)C)oc12,CI,0
CSc1nnc2c(=O)n(C)c(=O)n(C)c2n1,CI,0
CCN(CC)CCCNc1nnc2c(=O)n(C)c(=O)n(C)c2n1,CI,0
Cn1c(=O)c2nncnc2n(C)c1=O,CI,0
CN(C)CCNC1c2ccccc2CCc2ccccc21,CI,0
CC(CC1c2ccccc2CCc2ccccc21)CN(C)C,CI,0
CC1(O)c2ccccc2CCc2ccccc21,CI,0
COc1cccc(-c2n[nH]c(=N)o2)c1,CI,0
N=c1[nH]nc(-c2ccccc2S)o1,CM,1
N=c1[nH]nc(-c2ccccc2O)o1,CI,0
CN(C)c1ccc(C=C2C=CC=C2)cc1,CI,0
COc1cc(N(C)C)c(OC)cc1C=C1C=CC=C1,CI,0
CNc1ccc(C=C2C=CC=C2)cc1,CI,0
CC(=O)OC1=C(C)S(=O)(=O)c2ccccc21,CI,0
NC(CC1=CS(=O)(=O)c2ccc(Cl)cc21)C(=O)O,CI,0
O=C(O)C1=C(Cl)c2ccccc2S1(=O)=O,CI,0
CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1,CI,0
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,CI,0
CC(C)c1oc2ccccc2c1C(=O)c1ccc(O)cc1,CI,0
CCOC(=O)Nc1ccc2c(c1)C(=NNC(N)=S)c1ccccc1-2,CI,0
CC(=NO)c1ccc2c(c1)C(=NO)c1cc(C(C)=NO)ccc1-2,CI,0
CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])ON=C1c2ccccc2-c2ccccc21,CI,0
CNCCC=C1c2ccccc2CCc2ccccc21,CI,0
CN(C)CCC=C1c2ccccc2CCc2ccccc21,CI,0
C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21,CI,0
BrCC[N+]12CC[N+](CCBr)(CC1)C2,CI,0
CC[N+]12CC[N+](CC)(CC1)C2.[O-][Cl+3]([O-])([O-])O,CI,0
ClCC[N+]12CC[N+](CCCl)(CC1)C2,CI,0
Nc1ccc2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7cc(Cl)ccc7Cl)c(N)c6c5O)cc4)cc3)c(S(=O)(=O)O)cc2c1,CI,0
Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7cccc([N+](=O)[O-])c7)c(N)c6c5O)cc4)cc3)c(O)c2c1,CM,1
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)ccc2c(S(=O)(=O)O)cccc12,CI,0
COc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1,CI,0
Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1,CI,0
Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(C)cc2)cc1,CI,0
COc1cccc(C2CCCC(C#N)C2=N)c1OC,CI,0
CC1(c2ccccc2)CCCCC1=NNC(N)=O,CM,1
NC(=O)NN=C1CCCCC1c1ccccc1,CI,0
COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(OC)C(C)(OC)C2OC)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O,CI,0
COC1C(C)OC(OC2CC(C)(O)C(C(=O)O)c3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(OC)C1(C)OC,CI,0
COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(OC)C1(C)OC,CI,0
N=C(N)NN=C1C=C(O)C(=NNC(=N)N)C=C1O,CI,0
CCCCCCCCCCCC1=C(O)C(=NCCN)C=C(O)C1=NCCN,CI,0
CCCCCCCCCCCC1=C(O)C(=NCCS)C=C(O)C1=NCCS,CI,0
Cn1c(=O)c2ncnnc2n(C)c1=O,CI,0
Cn1c(=O)[nH]c2nncnc2c1=O,CI,0
CCn1c(=O)c2ncnnc2n(CC)c1=O,CI,0
COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2C(C3)N(C)CC4)cc1OC,CI,0
COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2C(C3)N(C)CC4)cc1OC,CI,0
COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(O)c(OC)cc4c2C(C3)N(C)CC4)cc1OC,CI,0
CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=c1cnn(C2OC(CO)C(F)C2F)c(=O)[nH]1,CI,0
O=c1cnn(C2OC(C(O)CO)C(O)C2O)c(=O)[nH]1,CI,0
COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,CI,0
COc1cc2c3c(c1OC)-c1cc(O)ccc1CC3NCC2,CI,0
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,CI,0
N=c1[nH]c(=S)ss1,CI,0
CN(C)C(=S)N=c1ssc(=S)n1C,CI,0
CN=c1ssc(=S)n1C(C)C,CI,0
CN(C)c1ccc(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,CI,0
COc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,CI,0
N.O=C(O)c1cc(C(=C(c2cc(Cl)c(O)c(C(=O)O)c2)c2cc(Cl)c(O)c(C(=O)O)c2)c2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O,CM,1
C#CC1(O)CCC2C3CC(O)C45CC4CCC5(C)C3CCC21C,CI,0
COC1CC2C3CCC(C(C)CO)C3(C)CCC2C2(C)CCC3CC312,CI,0
COC1CC2C3CCC(C(C)COC(C)=O)C3(C)CCC2C2(C)CCC3CC312,CI,0
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC2)c1,CI,0
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NNC(N)=S)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)O)cc1,CI,0
FC(F)(F)C(F)(F)c1nnc(C(F)(F)C(F)(F)F)o1,CI,0
CCOc1nnc(C)o1,CI,0
CN(C)C(=O)Sc1nnc(C(C)(C)C)o1,CI,0
CC1CCOS(=O)O1,CI,0
CC1(CO)COS(=O)OC1,CI,0
CCOC(=O)C1(C(=O)OCC)COS(=O)OC1,CI,0
Clc1cc(Cl)c(NN=C(c2ccccc2)c2ccccc2)c(Cl)c1,CI,0
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1cc(NN=C(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1,CI,0
Cc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)cc1,CA,1
Cc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(S(=O)(=O)O)ccc6c5)c(S(=O)(=O)O)cc4c3)ccc2c1O,CA,1
COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c(C)cc1N,CA,1
NP(=O)(Nc1ccccc1)Nc1ccccc1,CI,0
CCOC(=O)NP(=O)(Nc1ccc(C)cc1)Nc1ccc(C)cc1,CI,0
CCOC(=O)NP(=O)(Nc1ccccc1)Nc1ccccc1,CI,0
Brc1ncnc2c1ncn2C1CCCS1,CI,0
Nc1ncnc2c1ncn2C1SC(CO)C(O)C1O,CI,0
OCC1SC(n2cnc3c(O)ncnc32)C(O)C1O,CI,0
CCCCCC1OC1CC=CCCCCCCCC(=O)O,CI,0
CC1OC1C(=O)P(=O)(O)O.[NaH],CI,0
CCN(CC)C(=O)CCCCCCCCC1CO1,CI,0
C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1O,CI,0
C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CC)C5)C3C2)C1O,CI,0
C=C1C2CCC3(CCC4C5(C)CCCC4(CN(C(C)=O)C5)C3C2)C1O,CI,0
CCc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,CI,0
O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,CI,0
O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CI,0
CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CSSCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC,CI,0
NC(CSSCC(N)C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O,CI,0
NC(CSSCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,CI,0
Cn1nc(C(N)=O)c(=O)[nH]c1=O,CI,0
Cc1nn(C)c(=O)[nH]c1=O,CI,0
Cn1c(=O)cn[nH]c1=O,CI,0
Clc1nc(Cl)nc(-c2ccccc2)n1,CI,0
CSc1nc(-c2ccccc2)nc(C(C#N)C#N)n1,CI,0
CSc1nc(O)nc(-c2ccccc2)n1,CI,0
COc1cc(OC)c2c(=O)cc(-c3ccncc3)oc2c1,CI,0
Cc1cc2c(=O)cc(-c3ccncc3)oc2c(C(=O)O)c1C,CI,0
Cc1cc2c(=O)cc(-c3ccncc3)oc2c(C(N)=O)c1C,CI,0
CC1=CC(C)(C)NC(=S)N1CCO,CI,0
S=C1NC=CC(S)N1,CI,0
CC1=CC(S)NC(=S)N1,CI,0
CC(C)(C)CC1=COC(C=O)(CC(C)(C)C)CC1,CI,0
COC1CCC=C(C=O)O1,CI,0
CC1=COC(C)(C=C(C#N)C#N)CC1,CI,0
N=C(NN=Cc1ccc(Cl)c(Cl)c1)C(=N)NN=Cc1ccc(Cl)c(Cl)c1,CI,0
N=C(NN=Cc1ccc(Cl)cc1Cl)C(=N)NN=Cc1ccc(Cl)cc1Cl,CI,0
N=C(NN=Cc1ccc(Cl)cc1)C(=N)NN=Cc1ccc(Cl)cc1,CI,0
O[Si](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1,CI,0
Cc1ccc([Si](O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0
CCOC(=O)C=CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C,CI,0
O=[N+]([O-])C1=C(c2ccccc2)SC(Br)=C(c2ccccc2)S1,CI,0
O=[N+]([O-])C1=C(c2ccccc2)SC=C(c2ccccc2)S1,CI,0
O=[N+]([O-])C1=C(c2ccccc2)SC([N+](=O)[O-])=C(c2ccccc2)S1,CI,0
NN=C(c1ccccc1)c1cccs1,CI,0
COc1ccccc1C(=NOCCC(=O)O)c1cccs1,CI,0
COc1ccc(C(=NOCCCC(=O)O)c2cccs2)cc1,CI,0
CSc1nnc2sc(=S)[nH]n12,CI,0
Cc1nnc2sc(=S)[nH]n12,CI,0
CCc1nnc2sc(=S)[nH]n12,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2[nH]cnc12,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12,CI,0
C#CCOCn1cnc2c(Sc3c([N+](=O)[O-])ncn3C)ncnc21,CI,0
CCOC(=O)NP(=O)(N1CC1)N1CC1,CI,0
CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C,CI,0
CC1CN1P(=O)(OCCC#N)N1CC1C,CI,0
CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2cc(O)ccc2c(O)c1Cc1c(O)c2ccc(O)cc2oc1=O,CI,0
CCOC(=O)C1Cc2cc(C)c(C)cc2N(C)C1=O,CI,0
COC(=O)C1C(=O)N(C)c2cc(C)c(C)cc2C1(C)C,CI,0
COc1ccc2c(c1)C(C(=O)O)CC(=O)N2C,CI,0
CCCCCC[N+]1(C)CC2C3C=CC(C3)C2C1,CI,0
C[N+]1(C)CC2C3C=CC(C3)C2C1,CI,0
C[N+]1(C)CC2C3C=C(I)C(C3)C2C1,CI,0
O=C1C=C(N2CC2)C(=O)C=C1N1CC1,CI,0
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,CI,0
CCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCC)=C(N2CC2)C1=O,CI,0
CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O,CI,0
CC1(C)COC2=C(C1)C(=O)c1ccccc1C2=O,CI,0
COc1cccc2c1C(=O)C1=C(C2=O)C(O)CC(C)(C)O1,CI,0
Cc1c(N=Nc2cc(N=Nc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)c(N)cc2N)cccc1S(=O)(=O)O,CM,1
Cc1cc(N=Nc2c(N)c(C)cc(N=Nc3ccc(C(N)=O)cc3)c2N)ccc1N=Nc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1,CA,1
Cc1ccc(N=Nc2cc(C)c(N)c(N=Nc3ccc(N=Nc4cc(C(=O)O)c(O)c(S(=O)(=O)O)c4)c(C)c3)c2N)cc1,CM,1
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1,CI,0
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(C)=O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1,CI,0
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(O)C(OC)C(C)O3)C(O)C(C)O2)C(O)C(C)O1,CI,0
CC(C)(C)Cc1cssc1=S,CI,0
CCOC(=O)c1c(NC(=O)CCl)ssc1=S,CI,0
CCOC(=O)c1c(N)ssc1=S,CM,1
C[N+](C)(C)CCC#CC[N+]1(C)CCCC1,CI,0
C[N+]1(C)CCCC1C(=O)[O-],CI,0
C[N+]1(C)CC(O)CC1C(=O)[O-],CI,0
COC(=O)C1C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1O,CI,0
COC(=O)C1C(O)C(C)C(O)C(C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1OC(C)=O,CI,0
COC(=O)C1C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)C(O)C(C)C1O,CI,0
CC(=O)N1C(=O)CC(c2ccccc2)Sc2ccccc21,CI,0
CN(C)CCN1C(=O)CC(c2ccccc2)Sc2ccccc21,CI,0
O=C1CC(c2ccccc2)Sc2ccccc2N1,CI,0
CC(=O)C1=C(C)C2=Cc3c(C(C)=O)c(C)c4n3[Fe-3]35(Cl)n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25,CM,1
CC1=C(CO)C2=[N+]3C1=Cc1c(CO)c(C)c4n1[Fe-3]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0
C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-3]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0
Cc1[nH][nH]c(=N)c1C#N,CI,0
N=c1cc(O)[nH][nH]1,CI,0
COC(=O)c1c(N)[nH][nH]c1=N,CI,0
O=C1CCCCN1,CI,0
C=CCCCC1CCCNC1=O,CI,0
CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N,CI,0
O=C1CCCCC1CN1CCCCC1,CI,0
CN(C)CC1CCCC(CN2CCCCC2)C1=O,CI,0
CN(C)CC1CCCC(CN2CCCCC2)C1=O.Cl,CM,1
CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21,CI,0
CCN(CC)CCC=C1c2ccccc2Sc2ccc(Cl)cc21,CI,0
N#CC(C#N)=CC=C1c2ccccc2Sc2ccccc21,CI,0
O=C1CSC(=S)N1c1ccccc1,CI,0
O=C1CSC(=S)N1c1ccc(Cl)cc1,CI,0
CC1SC(=S)N(c2ccc(Cl)cc2)C1=O,CI,0
O=C(CSCC(=O)NN=Cc1ccccc1)NN=Cc1ccccc1,CI,0
COc1cccc(C=NNC(=O)C(C)SC(C)C(=O)NN=Cc2cccc(OC)c2)c1,CI,0
CC(SC(C)C(=O)NN=Cc1ccc(B(O)O)cc1)C(=O)NN=Cc1ccc(B(O)O)cc1,CI,0
O=C1NC(=O)C2(CCCCC2)N1,CI,0
CC1CCCCC12NC(=O)NC2=O,CI,0
O=C1NC2(CCCCC2)C(=O)N1CCN(CCCl)CCCl,CI,0
Oc1nc2ccccc2c(O)c1-c1ccccc1,CI,0
COc1ccc(-c2cc3ccccc3nc2O)cc1OC,CI,0
[N-]=[N+]=Nc1c(-c2ccccc2)c(Cl)nc2ccccc12,CI,0
CN1CCCCCCC1CO,CI,0
N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,CI,0
N#CCC(=O)N1CCCCCCC1,CI,0
O=[As](O)(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4cc([As](=O)(O)O)c(O)cc4O)cc3)cc2)c(O)cc1O,CI,0
Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N,CI,0
Cc1cc(-c2ccc(N=Nc3c(N)c(C)cc(S(=O)(=O)O)c3N)c(C)c2)ccc1N=Nc1ccc(O)c(C(=O)O)c1,CM,1
C[N+]12CC[N+](C)(CC1)CC2,CI,0
CCCCCCCCCCCC[N+]12CC[N+](C)(CC1)CC2.[I-],CI,0
CCCCCCCCCCCC[N+]12CC[N+](CCN)(CC1)CC2.[Br-],CI,0
S=C1CCCCCN1,CI,0
CC1CCCCNC1=S,CI,0
C=CCCC1CCCCNC1=S,CI,0
Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1-2,CI,0
O=S1(=O)c2ccccc2-c2ccccc21,CI,0
O=[N+]([O-])c1ccc2c(c1)-c1ccccc1S2(=O)=O,CI,0
O=c1oc2c(ccc3c(O)cccc32)c2c1CCCC2,CI,0
CC1CCCc2c1c1ccc3c(O)cccc3c1oc2=O,CI,0
CCC1CCc2c(c(=O)oc3c2cc(OC)c2cccc(OC)c23)C1,CM,1
CCOC=C1C(=O)N(C(C)=O)c2cc(OC)c(OC)cc21,CI,0
CCCCC(=O)N1C(=O)C(=CN(C)C)c2cc(C=O)ccc21,CI,0
COC(=O)C=C1C(=O)N(C(C)=O)c2ccccc21,CI,0
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,CI,0
CCCC[As](CCCC)SC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1,CI,0
CCCCCCCCCCCCCC(=O)OCC(CCS(=O)(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1)OC(=O)CCCCCCCCCCCCC,CM,1
Ic1nc(-c2ccccc2)[nH]c1I,CI,0
O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cnc(-c2ccccc2)[nH]1,CI,0
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3cccc4ccccc34)c(S(=O)(=O)O)c2)cc1,CI,0
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(O)ccc2c1,CI,0
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1,CI,0
COC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O,CI,0
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O,CI,0
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)OC(C)C1O,CI,0
COc1c2c(cc3c1OCO3)C13C=CC(OC)CC1N(CC3)C2.[O-][Cl+3]([O-])([O-])O,CI,0
COc1c2c(cc3c1OCO3)C13C=CC(OC)CC1N(C2)CC3O,CI,0
COC1C=CC23c4cc5c(cc4CN(CC2O)C3C1)OCO5,CI,0
O=S(c1ccccc1O)S(=O)c1ccccc1O,CM,1
O=S(c1ccc(Cl)cc1)S(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(S(=O)S(=O)c2ccc(C)cc2)cc1,CI,0
C=C1C(=O)OC(CCCCCCCCCCCCC)C1C(=O)O,CI,0
C[Si](C)(C)OC=C1CCOC1=O,CI,0
C=C1C(=O)OC(CCCCC)C1C(=O)O,CI,0
CC(C=Cc1ccccc1)=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)NN=CC=Cc2ccccc2)cc1,CI,0
CC(C=Cc1ccccc1)=NNS(=O)(=O)c1ccc(N)cc1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccco2)cc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2ccco2)cc1,CI,0
Nc1ccc(S(=O)(=O)NN=Cc2ccco2)cc1,CI,0
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3c(O)cc(S(=O)(=O)O)cc23)cc1S(=O)(=O)O,CI,0
Cc1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(C)c1,CI,0
O=Nc1ccc2ccccc2c1N=Nc1ccccc1C(=O)O.[NaH],CI,0
O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,CI,0
O=c1c(-c2cccc(O)c2O)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12,CI,0
CC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)C(O)C1O,CI,0
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2S(=O)(=O)O)cc1,CI,0
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(S(=O)(=O)O)cc2)cc1,CI,0
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2)cc1,CM,1
O=C1OC(=O)C2C1C(c1ccccc1)N1C3C(=O)OC(=O)C3C(c3ccccc3)N21,CI,0
O=C1OC(=O)C2C1C(c1ccc(Cl)cc1)N1C3C(=O)OC(=O)C3C(c3ccc(Cl)cc3)N21,CI,0
O=C1OC(=O)C2C1C(c1ccc([N+](=O)[O-])cc1)N1C3C(=O)OC(=O)C3C(c3ccc([N+](=O)[O-])cc3)N21,CI,0
CCCN=c1ssc(=O)n1CCC,CI,0
CCCCN=c1ssc(=O)n1CCCC,CI,0
CCCCCCCN=c1ssc(=O)n1CCCCCCC,CI,0
O=S1OCCO1,CI,0
CS(=O)(=O)OCC1OS(=O)OC1COS(C)(=O)=O,CI,0
O=S1OCC(CCCl)O1,CI,0
CCSc1ccc(N=[N+]([O-])c2ccc(SCC)c(Cl)c2)cc1Cl,CI,0
CCOC(=O)c1ccc(N=[N+]([O-])c2ccc(C(=O)OCC)cc2)cc1,CI,0
[O-][N+](=Nc1ccccc1CO)c1ccccc1CO,CI,0
OC1COCOC1C(O)C1OCOCC1O,CI,0
CC1(C)OC(C#N)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)O1,CI,0
C=CCC1(C#N)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)OC(C)(C)O1,CI,0
O=C1OC(=O)c2c1ccc1ccccc21,CI,0
Cc1cccc2c3c(ccc12)C(=O)OC3=O,CI,0
O=C1OC(=O)c2c1ccc1ccc(Cl)cc21,CI,0
COc1ccc(C=C2CN(C)CC3=C2OC(N)=C(C#N)C3c2ccc(OC)cc2)cc1,CI,0
Cc1ccc(C=C2CN(C)CC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1,CI,0
COc1ccc(C=C2CN(C)CC3C2=NC(=S)NC3c2ccc(OC)cc2)cc1,CI,0
Cc1ccc(C=C2CN(C)CC3C2=NC(=S)NC3c2ccc(C)cc2)cc1,CI,0
COc1ccc(C=C2CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(OC)cc2)cc1,CI,0
Cc1ccc(C=C2CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(C)cc2)cc1,CI,0
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C[N+](=O)[N-]Nc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O,CI,0
CCOC(=O)c1ccc(N[N-][N+](=O)CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)cc1,CI,0
C=C(C)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12,CI,0
CC(C)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12,CI,0
COc1c(Cl)cc(C(=CCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0
COC(=O)c1cc(C(=CCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)c(SSc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1Cl,CI,0
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)c(SSc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3)cc2S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC2=Nc3ccccc3C(c3ccccc3)N2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC2=NNC(C)CN2)c(S)cc1Cl,CI,0
COC(=O)c1cc(S(=O)(=O)NC2=NNC(C)CN2)c(S)cc1Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccc[nH]2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2cccn2C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
CCC1(CC=C(C)C)Oc2cccnc2-n2cccc2C1=O,CI,0
CC=CCC1(CC)Oc2cccnc2-n2cccc2C1=O,CI,0
Cc1ccc(-c2csc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CCO)cc1,CI,0
C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O.Cl,CI,0
CCOC(=O)c1c2ccccc2n2c(=O)n(-c3ccc(OC)cc3)nnc12,CM,1
CCOC(=O)c1c2ccccc2n2c(=O)n(-c3ccccc3)nnc12,CI,0
CCOC(=O)CC1C(C(=O)OCC)=CN2C(=C1C(=O)OCC)Nc1cccc3cccc2c13,CI,0
CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C=C(C(C)=O)C1CC(C)=O,CI,0
COC(=O)C1(C(=O)OC)N=C(C)OC1c1ccccc1O,CI,0
CCOC(=O)C(O)(CC1=NC(C(=O)OC)(C(=O)OC)C(c2cccc(C=O)c2)O1)C(=O)OCC,CI,0
CCOC(=O)c1cn(-c2ccccc2)c(=S)n2c1nc1ccccc12,CI,0
CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c(=S)n2c1nc1ccccc12,CI,0
O=P1(Oc2ccccc2)NCc2ncccc2O1,CI,0
Cc1cc(OP2(=O)NCc3ncccc3O2)ccc1Cl,CI,0
Cc1noc(C(F)(F)Sc2ncccn2)n1,CM,1
CCCc1noc(C(F)(F)Sc2ncccn2)n1,CI,0
FC(F)(Oc1ccc2ccccc2c1)c1nc2ccccc2o1,CI,0
Oc1cc2ccccc2cc1OC(F)(F)c1nc2ccccc2o1,CI,0
Nc1cc(N2CCOCC2)nc(=O)n1-c1ccc(Cl)cc1,CI,0
Nc1cc(N2CCOCC2)nc(=O)n1-c1ccccc1,CI,0
N#Cc1c(N2CCOCC2)ncn(-c2ccccc2)c1=O,CI,0
N#Cc1c(N2CCOCC2)ncn(-c2ccc(Cl)cc2)c1=O,CI,0
CN1CCN(C(N)=C(C#N)C(=O)Nc2ccccc2)CC1,CI,0
CN1CCN(C(N)=C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1,CI,0
N#CC(C(=O)Nc1ccccc1)=C(N)N1CCOCC1,CI,0
N#CC(C(=O)Nc1ccc(Cl)cc1)=C(N)N1CCOCC1,CI,0
N#CC(C(=O)Nc1ccccc1)=C(N)N1CCCCC1,CI,0
N#CC(C(=O)Nc1ccc(Cl)cc1)=C(N)N1CCCCC1,CI,0
CCOC1(OCC)NC(=N)C2(C#N)C3(C(=O)N(C(C)C)N=C3C)C12C#N,CI,0
COC1(OC)NC(=N)C2(C#N)C3(C(=O)N(C(C)C)N=C3C)C12C#N,CI,0
c1ccc(Nc2nn3c(CCCCCCCCc4nnc5sc(Nc6ccccc6)nn45)nnc3s2)cc1,CI,0
Clc1ccc(Nc2nn3c(CCCCCCCCc4nnc5sc(Nc6ccc(Cl)cc6)nn45)nnc3s2)cc1,CI,0
Clc1ccc(NCc2nnc(CCCCCCCCc3nnc(CNc4ccc(Cl)cc4)o3)o2)cc1,CI,0
COc1ccccc1NCc1nnc(CCCCCCCCc2nnc(CNc3ccccc3OC)o2)o1,CI,0
OC1(c2ccc(Cl)cc2)c2ccccc2-c2nc3ccccc3n21,CI,0
Cl.Clc1ccc(C2c3ccccc3-c3nc4ccccc4n32)cc1,CI,0
COC(=O)CN1Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)C1,CI,0
Cc1cc2c(O)c(c1)CN(CC(=O)O)Cc1cc(C)cc(c1O)CN(CC(=O)O)Cc1cc(C)cc(c1O)CN(CC(=O)O)C2,CI,0
Brc1ccccc1C=CC1(c2ccccc2)OCCO1,CI,0
Clc1ccccc1C=CC1(c2ccccc2)OCCO1,CI,0
CC1(C2(C)OC(=O)c3ccccc32)OC(=O)c2ccccc21,CI,0
O=C1OC(C2(O)OC(=O)c3ccccc32)c2ccccc21,CI,0
CN(C)c1ccc(C2=NC(=S)NC(c3cc(Cl)ccc3O)C2)cc1,CI,0
O=[N+]([O-])c1cccc(C2=NC(=S)NC(c3cc(Cl)ccc3O)C2)c1,CI,0
COc1ccc2nc3ccc(OC)cc3c(S(=O)Cc3ccccc3)c2c1,CI,0
COc1ccc2nc3ccc(OC)cc3c(S(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1,CI,0
COc1ccc2nc3ccc(OC)cc3c(SCC3CO3)c2c1,CI,0
Clc1ccc2c(SCC3CO3)c3ccccc3nc2c1,CI,0
COC(=O)c1cc(C(=O)Nc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC,CI,0
COc1ccc(C(=O)Nc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O.[NaH],CM,1
CC(C(=O)COCc1ccccc1)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
CC(C)=CCCC(C)=CCCC(C(=O)COCc1ccccc1)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
N=CN=CC(=S)OC1C(=O)N2CCCC23CCCCC13,CI,0
O=C1C(O)C2CCCCC23CCCN13,CI,0
CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2Br)=N1,CI,0
CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2)=N1,CI,0
COCP1(=S)OC(C)CCN1C(C)C,CI,0
CCP1(=S)OC(C)CCN1C(C)C,CI,0
CC12CCC(C(=Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1=O)C2(C)C,CI,0
CC12CCC(C(=Nc3ccc([N+](=O)[O-])cc3)C1=O)C2(C)C,CI,0
C=C(C)CCC1[CH-][N+](=O)OC(C)(C)C1(C)C,CI,0
C=C(C)CCC1C[CH-][N+](=O)OC1C(C)(C)C,CI,0
COCc1cc2c(cc1C(=C[N+](=O)[O-])CS(=O)(=O)c1ccccc1)OCO2,CI,0
O=[N+]([O-])C=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2,CM,1
CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OC2CCCC2(c2ccccc2)c2ccccc2)ON2OC(C(=O)OC)CC21,CI,0
CCOC(OCC)C1CC2N(O1)OC(OC1CCCC1(c1ccccc1)c1ccccc1)C(OC(C)=O)C2(CC)Cc1ccc(OC)c(OC)c1,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(C)=O,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(=O)C(C)(C)C,CI,0
Cc1ccc(C)c(COCCOCn2ccc(=N)[nH]c2=O)c1,CI,0
Cc1ccc(C)c(COCCOCn2cc(Br)c(=N)[nH]c2=O)c1,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=S)n4CCN(C)C)c2c1.Cl,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=S)n4CCCN(C)C)c2c1.Cl,CI,0
CCOC(=O)C1CC2COC(c3ccccc3)N2C1=O,CI,0
O=C1CCC2COC(c3ccccc3)N12,CI,0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1=N,CI,0
Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2=N)c1C,CI,0
Br.CC(O)C1(c2ccccc2)CC2(CCN(C)CC2)OC1C,CI,0
CCOC(=O)N1CCC2(CC1)CC(C(C)=O)(c1ccccc1)C(C)O2,CI,0
COC(=O)C1C(=O)N(C)C(=O)N2CCCC12,CI,0
CN1C(=O)CC2CCCN2C1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12CCN(O)CO2,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC12CCN(O)CO2,CI,0
CCc1c(Cc2ccccc2)n(COCCSc2ccccc2)c(=O)[nH]c1=O,CA,1
CCc1c(Cc2cc(C)cc(C)c2)n(COCCSc2ccccc2)c(=O)[nH]c1=O,CA,1
O=S(=O)(Cc1ccccc1)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1,CI,0
COc1ccc(S(=O)(=O)c2nnc(S(=O)(=O)Cc3ccccc3)s2)cc1,CI,0
CN(CCCNC(=O)c1cn(C)c2c1ccc1ccccc12)CCCNC(=O)c1cn(C)c2c1ccc1ccccc12,CI,0
COc1ccc2c(ccc3c(C(=O)NCCCN(C)CCCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1,CI,0
CN(CCNC(=O)c1cn(C)c2c1ccc1ccccc12)CCNC(=O)c1cn(C)c2c1ccc1ccccc12,CI,0
COc1ccc2c(ccc3c(C(=O)NCCN(C)CCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1,CI,0
CC(=O)Oc1ccc(C=CC(=O)OCCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCCCOC(=O)C=Cc1ccc(O)c(O)c1,CI,0
CC1=CSC(O)(c2ccc(Cl)cc2)c2noc(=O)n21,CI,0
COC1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O,CI,0
COC1OC(Cn2cc([N+](=O)[O-])nc2C)C(O)C(O)C1O,CI,0
COC1OC(Cn2c(C)nc(Br)c2Br)C(O)C(O)C1O,CI,0
Cn1c(=O)oc2nc(-c3ccccc3)cc(C(F)(F)F)c21,CI,0
COC(=O)Cn1c(=O)oc2nc(-c3ccccc3)cc(C(F)(F)F)c21,CI,0
C=CCC1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O,CI,0
CC(C)=CCC1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O,CI,0
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O,CI,0
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C,CI,0
Oc1ccc2ccccc2c1-c1c(Nc2ccccc2)ccc2ccccc12,CI,0
COc1ccc(Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1,CI,0
Brc1ccc(-c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1,CI,0
COc1ccc(-c2nc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1,CI,0
O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.[Br-],CA,1
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)cc2)cc1.[Br-],CA,1
CC(C)(C)OCC=C1C(=O)OC2CC(O[Si](C)(C)C(C)(C)C)CC12,CI,0
CC(C)(C)OC=C1C(=O)OC2CC(O[Si](C)(C)C(C)(C)C)CC12,CI,0
CC(c1ccccc1)N(CC#N)C1CCCC1(O)C=Cc1ccc2c(c1)OCO2,CI,0
N#CCN(Cc1ccccc1)C1CCCC1(O)C=Cc1ccc2c(c1)OCO2,CI,0
Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2CCC(Br)CC32)cc1,CI,0
Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2CC(C(C)Br)CCC32)cc1,CI,0
CCCCC1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32,CI,0
CCCCC1C=Cn2c(=O)oc3c(OC(C)C)c(C)c(O)c1c32,CI,0
CC1=C(C)C(=O)C(C2=CC(=O)C=CC2=O)=C(C2=CC(=O)C=CC2=O)C1=O,CI,0
CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)C(C)=C(C)C2=O)=CC1=O,CI,0
CC(C)OC1=C(CC2(C)OCCO2)C(=O)C12OCCO2,CI,0
CC1(CC2=C(C(=O)NCCO[Si](C)(C)C(C)(C)C)C3(OCCO3)C2=O)OCCO1,CI,0
CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1,CI,0
CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl,CI,0
COC(=O)C1=CC2C(=O)c3ccccc3C1(c1ccccc1)N2C1CCCCC1,CI,0
COC(=O)C1=C(C(=O)OC)C2(c3ccccc3)c3ccccc3C(=O)C1N2C1CCCCC1,CI,0
CCSc1cc(C(=O)OC)c2n(c1=O)CCCC2,CI,0
COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c(=O)n2c1CCCC2,CI,0
Clc1ccccc1-c1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2[nH]1,CI,0
Clc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1,CI,0
CSc1nc(Nc2ccccc2Cl)c2c(=N)[nH]n(C)c2n1,CI,0
CSc1nc(Nc2cccc(C(F)(F)F)c2)c2c(=N)[nH]n(C)c2n1,CI,0
CSc1nc2c(c(N(C)C)n1)C=Nn1c(nc3ccccc31)S2,CA,1
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1N=C2,CI,0
CC(=O)OC1C#CC=CC#CCC2C(=O)NC12,CI,0
CC(=O)OC1C#CC=CC#CCC2C(=O)N(C(=O)OC(C)(C)C)C12,CI,0
CN1CCN(c2cc3[nH]c(-c4ccc(Cl)cc4)nc3cc2F)CC1,CI,0
Cc1ccc(-c2nc3cc(F)c(N4CCN(C)CC4)cc3[nH]2)cc1,CI,0
O=c1ccn(C2OC(CN(O)CCC3C(O)C(CO)OC3n3ccc(=O)[nH]c3=O)C(O)C2O)c(=O)[nH]1,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(CCN(O)CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
COC(=O)c1ccc(C(=O)NC(Cc2ccc(Oc3cc(CC(NC(=O)c4ccccc4C(=O)OC)C(=O)OC)ccc3OC)cc2)C(=O)OC)cc1,CI,0
COC(=O)C(Cc1ccc(Oc2cc(CC(NC(=O)c3ccccc3)C(=O)OC)ccc2OC)cc1)NC(=O)c1ccccc1,CI,0
CCC1(c2ccc(OC)c(OC)c2)CCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
COc1ccc(C2(CC(C)C)CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC,CI,0
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,CI,0
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0
O=C(CCCCCCCCC(=O)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1c(O)ccc2ccccc12)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1c(O)ccc2ccccc12,CI,0
COc1ccc(C=C2SC(c3c(O)ccc4ccccc34)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3c(O)ccc4ccccc34)C2=O)cc1OC,CI,0
C=Cc1nc2nnc(CCCCCCCCc3nnc4nc(C=C)[nH]n34)n2[nH]1,CI,0
Cc1nc2nnc(CCCCCCCCc3nnc4nc(C)[nH]n34)n2[nH]1,CI,0
c1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccccc4)o3)o2)cc1,CI,0
COc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(OC)cc4)o3)o2)cc1,CI,0
CCN(CC)c1nnc(CCCCCCCCc2nnc(N(CC)CC)o2)o1,CI,0
CNc1nnc(CCCCCCCCc2nnc(NC)o2)o1,CI,0
Nn1c(CCCCCCCCc2nnc(COc3ccc(Cl)cc3)n2N)nnc1COc1ccc(Cl)cc1,CI,0
Nn1c(CCCCCCCCc2nnc(COc3ccc(Cl)cc3Cl)n2N)nnc1COc1ccc(Cl)cc1Cl,CI,0
O=C(COc1ccc(OCC(=O)N2C(=O)CN(c3ccc(Cl)cc3)C2=S)cc1)N1C(=O)CN(c2ccc(Cl)cc2)C1=S,CI,0
COc1ccc(N2CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CN(c5ccc(OC)cc5)C4=S)cc3)C2=S)cc1,CI,0
[O-][Cl+3]([O-])([O-])[O-].c1ccn2c(N3CCCC3)[n+]3c4ccccc4n4c(N5CCCC5)[n+]5ccccc5c4c3c2c1,CM,1
O=[N+]([O-])c1ccc2c(c1)n1c(N3CCCC3)[n+]3ccccc3c1c1c3ccccn3c(N3CCCC3)[n+]21.[O-][Cl+3]([O-])([O-])[O-],CI,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c(S)cc1Cl,CM,1
Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3n[nH]c(=O)n3-c3ccccc3)c(S)cc2Cl)cc1,CI,0
O=C(O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CCNCC1,CI,0
O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCNCC1,CI,0
O=C(O)CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCN(CC(=O)O)CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1,CI,0
CC(C)(C)OC(=O)CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1,CI,0
N=c1ccn(C2COC(CO)C2O)c(=O)[nH]1,CI,0
COC(OC)C1OC(CO)C(n2ccc(=N)[nH]c2=O)C1O,CI,0
COC(=O)c1cc(C(=CC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(NC(=O)C=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CI,0
CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(O)C3=C3OC(=O)C=C1C32,CI,0
CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(OC(C)=O)C3=C3OC(=O)C=C1C32,CI,0
Cc1oc(N)c(S(=O)(=O)c2ccc(Cl)cc2)c1C,CI,0
CC(=O)Nc1oc(C)c(C)c1S(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CCN(C)C)c1C,CI,0
CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCN(C)C,CI,0
Cc1c(S(=O)(=O)c2ccccc2)c(N)n(Cc2ccccc2)c1C,CI,0
CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1Cc1ccccc1,CI,0
CC(=O)O.Nc1nc(N)c(C2=CCNCC2)c(O)n1,CI,0
CC(=O)O.CN1CC=C(c2c(N)nc(N)nc2O)CC1,CI,0
COc1cc2c(c(O)c1OC)C(O)C1CCC(=O)N1C2c1cccc2ccccc12,CI,0
COc1cc2c(c(O)c1OC)CC1CCC(=O)N1C2c1cccc2ccccc12,CI,0
COc1cc(C2c3cccc4cccc(c34)C3CCC(=O)N32)cc(OC)c1O,CI,0
COc1cc(C2c3cccc4cccc(c34)C3CCC(=O)N32)cc(O)c1O,CM,1
COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2c1cccc2ccccc12,CI,0
COc1cc2c(c(O)c1O)C(=O)C1CCC(=O)N1C2c1cccc2ccccc12,CI,0
COc1cc(C2c3c(ccc4ccccc34)C(=O)C3CCC(=O)N32)cc(OC)c1OC,CI,0
COc1cc(C2c3c(ccc4ccccc34)C(=O)C3CCC(=O)N32)cc(OC)c1O,CI,0
COC(=O)C1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12,CI,0
COc1cc(C(c2cccc3ccccc23)N2C(=O)CCC2C(=O)O)cc(OC)c1OC,CI,0
Nc1ncnc2c1ncn2C1CCC(CO)OC1,CI,0
Nc1nc(O)c2ncn(C3CCC(CO)OC3)c2n1,CI,0
Clc1ccc(C(Cc2ccccc2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1,CI,0
Clc1ccc(C(Cc2cccc(Cl)c2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1,CI,0
CN(C)c1c(C2OC(CO)C(O)C2O)c(=O)c1=O,CI,0
CN(C)c1c(C2CC(O)C(CO)O2)c(=O)c1=O,CI,0
O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,CI,0
CC(=O)Oc1cc(-c2oc3cc(OC(C)=O)c(C4OC(CO)C(O)C(O)C4O)c(OC(C)=O)c3c(=O)c2O)c(OC(C)=O)cc1O,CI,0
CCN(CC)CCOC(=O)c1cc2ccccc2n1-c1ccccc1.Cl,CI,0
CC(CN(C)C)OC(=O)c1cc2ccccc2n1-c1ccccc1.Cl,CI,0
C=C(CCOC)CCC1CCCCC(=C)C1O,CI,0
C=C(CCOC)CCC1CCCCC(=C)C1OC(C)=O,CI,0
C=CCC1C(=O)C2(O[Si](C(C)C)(C(C)C)C(C)C)CCC1CC2NC(=O)OCC(Cl)(Cl)Cl,CI,0
COC(=O)NC1CC2CCC1(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C2,CI,0
COC(=O)C1CC2(C)C=CC1N(C(=O)OCc1ccccc1)C2,CI,0
COC(=O)C1CC2C=CC1N(C(=O)OCc1ccccc1)C2,CI,0
CCOC(=O)N1CC2(C)C=CC1C(C(=O)OC)C2,CI,0
CCOC(=O)N1CC2(C(=O)OC)C=CC1C(C(=O)OC)C2,CI,0
CCOC(=O)c1cc(C2CCN(c3ccccc3)C2=O)c(C(=O)C=C(C)O)[nH]1,CI,0
CCOC(=O)c1cc(C2CCN(c3ccccc3)C2=O)c(C(=O)C=C(C)N)[nH]1,CM,1
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC=[N+]([O-])CC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(CC=[N+]([O-])CC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(=O)O)CS2,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(N)=O)CS2,CI,0
COCn1c(C(=O)c2ccccc2)c(C)c(=O)[nH]c1=O,CM,1
Cc1c(C(=O)c2ccccc2)n(COCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O,CI,0
CCN(CCN(CC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
N#CCCN(CCN(CCC#N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
N#CCCN(CCCN(C(=O)Nc1ccc(NC(=O)N(CCCN(CCC#N)C(N)=O)c2ccccc2)cc1)c1ccccc1)C(N)=O,CI,0
N#CCCN(C(=O)Nc1ccc(NC(=O)N(CCC#N)c2ccccc2)cc1)c1ccccc1,CI,0
COc1nc(N)c(NC2OC(CO)C(O)C2O)c(O)n1,CI,0
CSc1nc(N)c(NC2OC(CO)C(O)C2O)c(O)n1,CM,1
Cc1ccc(S(=O)(=O)NN=C2C=CC3(CC2)C(=O)N(C)c2ccccc23)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2C=CC3(CC2)C(=O)N(I)c2ccccc23)cc1,CI,0
Cc1cnc2sn(-c3ccc(Oc4ccccc4)cc3)c(=O)c2c1,CI,0
O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc(Oc2ccccc2)cc1,CM,1
CN1Cc2ccccc2S(=O)(=O)n2cccc2C1=O,CI,0
O=C1NCc2ccccc2S(=O)(=O)n2cccc21,CI,0
COc1ccc(C(=O)Sc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,CM,1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)c2ccccc2)cc1,CM,1
CCOC(=O)c1cc2c([nH]1)c(OC(C)=O)cc1c2ccn1Cc1ccccc1,CI,0
CCOC(=O)c1cc2c([nH]1)c(O)cc1c2ccn1Cc1ccccc1,CI,0
CCCN1CC=C(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O,CI,0
CCOC(=O)c1cc(C2=CCNC2=O)c(-c2cc(C)no2)[nH]1,CI,0
CCOC(=O)c1cc2c3c(cc(OC)c2[nH]1)N(C(=O)OCC)CC3,CI,0
CCOC(=O)c1cc2c3c(c(C(C)=O)c(OC)c2[nH]1)N(C(=O)CC)CC3,CI,0
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCC(=O)N4)CC2)cc1,CI,0
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCC(=O)N4)CC2)cc1OC,CI,0
N#Cc1c(N)n(-c2nc3ccccc3s2)c(=O)c2cc([N+](=O)[O-])ccc12,CI,0
Nc1c(C(=O)O)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1,CI,0
CSc1sc(C)cc1-c1nsc(=O)o1,CI,0
CCc1cc(-c2nsc(=O)o2)c(S(=O)(=O)CC)s1,CI,0
CCOC(=O)c1cc(C2(OC)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1,CI,0
CCOC(=O)c1cc(C2(O)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1,CI,0
CSC1=C(SC)SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1,CI,0
COC(=O)C1=C(C(=O)OC)SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1,CI,0
COC(=O)CN(CC1OC2OC(C)(C)OC2C1NC(C)=O)C(=O)OCc1ccccc1,CI,0
COC(=O)CN(CC1OC2OC(C)(C)OC2C1N=[N+]=[N-])C(=O)OCc1ccccc1,CI,0
CCOC(=O)C1C(c2ccc3c(c2)OCO3)c2c(n[nH]c2O)CC1(C)O,CI,0
CCOC(=O)C1C(c2ccc3c(c2)OCO3)c2c(n[nH]c2O)CC1(O)OCC,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)CC1(C)O,CI,0
CCOC(=O)C1C(c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)CC1(O)OCC,CI,0
O=C(Nc1sccc1S(=O)(=O)c1ccccc1)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)c2ccccc2)cc1,CI,0
Nc1sccc1S(=O)(=O)c1ccsc1N,CI,0
CC(=O)Nc1sccc1S(=O)(=O)c1ccsc1NC(C)=O,CI,0
CCCCn1c(C)c(C)c2c1NN=C(C#N)S2(=O)=O,CI,0
Cc1c2c(n(CCN(C)C)c1C)NN=C(C#N)S2(=O)=O,CI,0
CC(=O)Oc1c2c(c(CC=C(C)C)c3c1C(=O)C1=CC4CC5C(C)(C)OC(CC=C(C)C(=O)O)(C4=O)C15O3)OC(C)(CCC=C(C)C)C=C2,CI,0
CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O,CI,0
O=C(C=Cc1ccccc1)Oc1ccc(C=C2CCCC(=Cc3ccc(OC(=O)C=Cc4ccccc4)cc3)C2=O)cc1,CI,0
Cc1ccc(C=CC(=O)Oc2ccc(C=C3CCCC(=Cc4ccc(OC(=O)C=Cc5ccc(C)cc5)cc4)C3=O)cc2)cc1,CI,0
COc1cc2c(cc1OC)C1OC(c3cc(OC)c(OC)cc3C1OC(C)=O)C2OC(C)=O,CI,0
COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)O1,CI,0
COC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)c1ccccc1)C1OC12,CI,0
COC12OC3(C(CO)OC(=O)C3C1S(=O)(=O)c1ccccc1)C1OC12,CI,0
CNC(=S)NN=C(C(=NNC(=S)NC)c1ccccn1)c1ccccn1,CI,0
CN(C)C(=S)NN=C(C(=NNC(=S)N(C)C)c1ccccn1)c1ccccn1,CI,0
S=C(NN=CC(=NNC(=S)N1CCCCC1)c1ccccc1)N1CCCCC1,CI,0
CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N1CCCCC1)c1ccccc1,CI,0
CC(=NNC(=S)N1CCCCCC1)C(C)=NNC(=S)N1CCCCCC1,CI,0
S=C(NN=CC=NNC(=S)N1CCCCCC1)N1CCCCCC1,CI,0
C(=NNc1ccc2ccccc2n1)c1ccccn1,CI,0
CC(=NNc1ccc2ccccc2n1)c1ccccn1,CI,0
COc1cc2c(cc1OC)-c1cc3ccccc3c(=O)n1CC2,CI,0
COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c(=O)n1CC2,CI,0
CC(=Cc1ccccc1)n1c(=O)cc(C)n1C,CI,0
CCc1cc(=O)n(C(C)=Cc2ccccc2)n1C,CI,0
COC(=O)C1C2C=CC(C2)N1S(=O)(=O)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)N2C3C=CC(C3)C2C(Cl)(Cl)Cl)cc1,CI,0
CCc1c(Cc2ccccc2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O,CM,1
CCc1c(Cc2cc(C)cc(C)c2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O,CA,1
Cc1cn(COCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O,CI,0
Cc1cn(C(C)OCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(COCc3ccccc3)N(CCO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(COCc3ccccc3)N(CCO)O2)c(=O)[nH]c1=O,CI,0
O=C1C(=C2CCCN2)C(c2ccc[nH]2)=NN1c1ccccc1,CI,0
CN1CCCC1=C1C(=O)N(c2ccccc2)N=C1c1ccc[nH]1,CI,0
CC(=O)Nc1ccc2c(c1)nc1c3ccccc3ccn21,CI,0
Cc1c(C#N)c2ccccc2c2nc3ccccc3n12,CI,0
COC(=O)c1cnn2c1ccc1ccccc12,CI,0
CCOC(=O)c1c(C)nn2c1ccc1ccccc12,CI,0
OC(c1cc2ccccc2[nH]1)C1(c2cccnc2)SCCCS1,CI,0
Cn1c(C(O)C2(c3cccnc3)SCCCS2)cc2ccccc21,CI,0
COc1cc(OC)nc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)n1,CI,0
COc1cc(OC)nc(-n2c(N)c(C(=O)O)c3ccc([N+](=O)[O-])cc3c2=O)n1,CI,0
COc1ccc(-n2cnc3c(NC(Cc4ccccc4)C(=O)O)ncnc32)cc1,CI,0
COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccc(OC)cc1,CI,0
O=C(O)C(CO)NC(=O)C1C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1,CI,0
CC(=O)OC(=C(C#N)C(=O)O)C1C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1,CI,0
Cn1c(-c2cccc([N+](=O)[O-])c2)[n+](C)c2ccccc21.[I-],CI,0
Cn1c(-c2cccc(N)c2)[n+](C)c2ccccc21.[I-],CI,0
CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1ccccc1O2,CI,0
Cc1ccc2c(c1)C=CC1(O2)N(c2ccccc2)C(=S)OC1(C)C,CI,0
COc1cccc2c1OC1(C=C2)Oc2ccccc2C(=O)N1C,CI,0
CN1C(=O)c2ccccc2OC12C=Cc1ccc(O)cc1O2,CI,0
CC(=O)O[IH2]1NC(=O)c2ccccc21,CM,1
CO[IH2]1NC(=O)c2ccccc21,CM,1
N#CC1=C2Sc3ccccc3N2C(c2ccccc2)C2COC(=O)C12,CI,0
COc1ccc(C2C3COC(=O)C3C(C#N)=C3Sc4ccccc4N32)cc1,CI,0
N#Cc1sc2nc3ccccc3n2c1N,CI,0
NC(=O)c1sc2nc3ccccc3n2c1N,CI,0
CC(=O)OC1COC(n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)C(OC(C)=O)C1OC(C)=O,CI,0
OC1COC(n2c3ccc(Br)cc3c3ccc4c5ccccc5[nH]c4c32)C(O)C1O,CI,0
CN1C(=O)C2c3c([nH]c4ccccc34)C3Nc4ccccc4C3C2C1=O,CI,0
CN1C(=O)C2c3c([nH]c4ccccc34)C3C(c4ccccc4N3S(=O)(=O)C(F)(F)F)C2C1=O,CI,0
Cc1cccc2c1C(=O)C(C)(C1(C)Nc3cccc(C)c3C1=O)N2,CI,0
COc1ccc(C)c2c1NC(C)(C1(C)Nc3c(OC)ccc(C)c3C1=O)C2=O,CI,0
Cn1c(=O)c2c(nc3n2CCCC(=O)N3CCCCl)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3n2CCCC(=O)N3CC(O)CCl)n(C)c1=O,CI,0
CSc1c(C#N)c(O)nc(N)c1C(=O)Nc1ccc(Cl)cc1,CI,0
CSc1c(C#N)c(O)nc(N)c1C(=O)Nc1ccc(C)cc1,CM,1
N=c1[nH][nH]c2c(C(=O)Nc3ccc(Cl)cc3)c(N)nc(S)c12,CI,0
N=c1[nH][nH]c2c(C(=O)Nc3ccccc3)c(N)nc(S)c12,CI,0
Cl.NC1CNC(=O)c2c(Cl)sc(Cl)c21,CI,0
Cl.NC1CNC(=O)c2cscc21,CI,0
I.O=C(CN1CCCCC1)c1ccc2c(c1)Sc1ccccc1O2,CI,0
Br.CC1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2,CI,0
CN(C)CCn1c(=O)n(CCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl,CI,0
CN(C)CCCn1c(=O)n(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl,CI,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(ncn4CCN(C)C)c2c1.Cl,CI,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(ncn4CCCN(C)C)c2c1.Cl,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=O)n4CCCN(C)C)c2c1.Cl,CI,0
CN(C)CCn1c(=O)nc2c3cc(O)ccc3[nH]c3c([N+](=O)[O-])ccc1c32.Cl,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN=C1Cl,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN=C1NN,CI,0
O=C(Nc1cc2c(oc1=O)CCCCCC2)c1ccccc1,CI,0
Cc1c2c(oc(=O)c1NC(=O)c1ccccc1)CCCCCC2,CI,0
COc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)oc2C)cc1,CI,0
COc1ccc(-c2c(C)oc(=O)c(NC(=O)c3ccccc3)c2C)cc1,CI,0
O=C(Nc1ccc(-c2ccccn2)oc1=O)c1ccccc1,CI,0
Cc1cc(-c2ccccn2)oc(=O)c1NC(=O)c1ccccc1,CI,0
O=C(Nc1ccc(-c2cccs2)oc1=O)c1cnccn1,CI,0
Cc1cc(-c2cccs2)oc(=O)c1NC(=O)c1cnccn1,CI,0
CC(=O)N(C(C)=O)c1ccc(-c2cccs2)oc1=O,CI,0
CC(=O)N(C(C)=O)c1c(C)cc(-c2cccs2)oc1=O,CI,0
O=C(Nc1ccc(-c2cccs2)oc1=O)c1ccccc1,CI,0
Cc1cc(-c2cccs2)oc(=O)c1NC(=O)c1ccccc1,CI,0
O=C(Nc1ccc(-c2ccco2)oc1=O)c1ccccc1,CI,0
Cc1cc(-c2ccco2)oc(=O)c1NC(=O)c1ccccc1,CI,0
O=C(Nc1ccc(-c2ccccc2)oc1=O)c1ccccc1,CI,0
Cc1cc(-c2ccccc2)oc(=O)c1NC(=O)c1ccccc1,CI,0
Cc1ccc(NC(=O)c2cnccn2)c(=O)o1,CI,0
Cc1cc(C)c(NC(=O)c2cnccn2)c(=O)o1,CI,0
O=C(Nc1c(O)nc(O)nc1NCC(O)C(O)C(O)CO)c1ccc(S(=O)(=O)F)cc1,CI,0
O=C(Nc1cnc(O)nc1O)c1ccc(S(=O)(=O)F)cc1,CI,0
Cc1ccc2c(c1)C(=C(C#N)C#N)CCCS2(=O)=O,CI,0
N#CC(C#N)=C1CCCS(=O)(=O)c2ccccc21,CI,0
CCOC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,CI,0
COC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,CI,0
N=c1c2c(ncn1N)Oc1c(c(-c3ccccc3)nn1-c1ccccc1)C2c1ccc(Cl)cc1,CI,0
COc1ccc(C2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn(N)c(=N)c32)cc1OC,CI,0
CCOC=NC1=C(C#N)C(c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1,CI,0
CCOC=NC1=C(C#N)C(c2ccc(OC)c(OC)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1,CI,0
FC(F)(Sc1ncc[nH]1)c1nc2ccccc2o1,CI,0
Cn1ccnc1SC(F)(F)c1nc2ccccc2o1,CI,0
COc1cccc(CCNc2c(C#N)c3nc4ccccc4n3c3ccccc23)c1,CI,0
N#Cc1c(NCCc2ccc(F)cc2)c2ccccc2n2c1nc1ccccc12,CI,0
N#CC(C(=O)c1ccccc1F)c1nc2ccccc2[nH]1,CM,1
Cn1c(C(C#N)C(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccccc21,CI,0
N#Cc1c(=O)c2cccnc2n2c1[nH]c1ccccc12,CI,0
Cn1c2ccccc2n2c3ncccc3c(=O)c(C#N)c12,CI,0
N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1[nH]c1ccc(C(F)(F)F)cc12,CI,0
Cn1c2ccccc2n2c(=O)c3cc([N+](=O)[O-])ccc3c(C#N)c12,CI,0
COc1cccc(CCn2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
COc1cccc(CCn2c(N)c(C(=O)O)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
COc1cccc(CCn2c(N)c(-c3ccccc3)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
COc1cccc(CCn2c(N)c(-c3cc(Cl)cc(Cl)c3)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
O=C(Nc1ccccc1)n1[nH]c(=O)n(-c2ccccc2)c1=O,CI,0
COC(=O)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)Nc1ccccc1,CI,0
CC(=O)OCC1OC(Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1COC(Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1O[Si](C(C)(C)C)(C(C)(C)C)C(C)C1C,CI,0
C=CCC1O[Si](C(C)(C)C)(C(C)(C)C)C(C)C1C,CI,0
Cc1[nH]c2ncnc(N)c2c1Cc1ccccc1,CI,0
Cc1[nH]c2nc(S)nc(NC(N)=S)c2c1Cc1ccccc1,CI,0
NNC1=NC(=Cc2ccco2)C(=O)N1,CI,0
CCSC1=NC(=Cc2ccco2)C(=O)N1,CI,0
NC(=S)Nc1nc(S)nc2c1c(-c1ccccc1)cn2C(=O)c1ccccc1,CI,0
O=C(c1ccccc1)n1cc(-c2ccccc2)c2c(O)ncnc21,CI,0
O=C(NC(=Cc1ccccc1O)C1NC(Cc2c[nH]c3ccccc23)C(=O)O1)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2NC(Cc3c[nH]c4ccccc34)C(=O)O2)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2=NC(CC(=O)O)C(=O)O2)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2=NC(CCC(=O)O)C(=O)O2)cc1,CI,0
CCOC(=O)NN=CC1=NN(C(=O)OCC)S(=O)C1C,CI,0
CCOC(=O)N1N=C(C(C)=NOC)C(C)S1=O,CI,0
COC(=O)C1C2OC(C)(C)OC2CN1S(=O)(=O)c1ccc(C)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CC3OC(C)(C)OC3C2CO)cc1,CI,0
COC(=O)C1C2OC(C)(C)OC2CN1C(=O)OCc1ccccc1,CI,0
CC1(C)OC2CN(C(=O)OCc3ccccc3)C(CO)C2O1,CI,0
CC1CCCc2c(C#N)c(N)nc(-c3ccc(Cl)cc3)c21,CI,0
CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)c(C#N)c21,CI,0
CC1CCCC2=C1C(c1ccc(Cl)cc1)n1c(sc(=Cc3ccc(Cl)cc3)c1=O)=N2,CI,0
COc1cc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2C)N=3)cc(OC)c1OC,CI,0
CC1CCC(=Cc2ccc(Cl)cc2)C2=C1C(c1ccc(Cl)cc1)N1C(=O)CSC1=N2,CI,0
CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)N1C(=O)CSC1=N2,CI,0
O=c1oc2ccccc2n1CCN1CCCCC1,CI,0
CC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1,CI,0
CC(=O)NS(=O)(=O)c1ccc(-n2sc3ccccc3c2=O)cc1,CM,1
N=C(N)NS(=O)(=O)c1ccc(-n2sc3ccccc3c2=O)cc1,CM,1
Cn1ncc2[nH]cnc2c1=S,CI,0
Cc1nc2c(=S)n(C)ncc2[nH]1,CI,0
O=c1c2ccc(Cl)cc2oc2c(CSc3ccccc3)cccc12,CI,0
O=C(O)c1ccccc1SCc1cccc2c(=O)c3ccc(Cl)cc3oc12,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC.[Cl-],CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC.[Cl-],CI,0
O=C(c1ccccc1)c1cc2c(nc1O)CCCCC2,CI,0
O=C(c1ccc(Cl)cc1)c1cc2c(nc1O)CCCCC2,CI,0
N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCC2,CI,0
Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCC3)cc1,CI,0
N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCCCC2,CI,0
Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCCCC3)cc1,CI,0
N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCCC2,CI,0
Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCCC3)cc1,CI,0
O=C(NN=Cc1ccco1)c1ccncc1,CI,0
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccncc1,CI,0
CCOC(=O)CON=CC1=CC(=O)C2CC1C2(C)C,CI,0
CC1(C)C2CC1C(C=NOCC(=O)O)=CC2=O,CI,0
O=C(c1ccc(Cl)cc1)N(C(=S)OCc1ccccn1)c1ccccc1,CI,0
COc1cc(C(=O)N(C(=S)OCc2ccccn2)c2ccccc2)cc(OC)c1OC,CI,0
O=C(c1ccc(Cl)cc1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1,CI,0
O=C(c1ccc(Cl)cc1Cl)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1,CI,0
CN(C)c1n2c3cc([N+](=O)[O-])ccc3[n+]3c(N(C)C)n4ccccc4c3c2c2cccc[n+]12.[O-][Cl+3]([O-])([O-])[O-],CI,0
Cc1cc2c(cc1C)[n+]1c(N(C)C)n3ccccc3c1c1c3cccc[n+]3c(N(C)C)n21.[O-][Cl+3]([O-])([O-])[O-],CI,0
CCc1c(CN)c(CC)c(CNC2=NCCN2)c(CC)c1CNC1=NCCN1.Cl,CI,0
COC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCNC(=O)c1cc(CNC2=NCCN2)cc(CNC2=NCCN2)c1.Cl,CI,0
COC(=O)C12CSCC1(C(=O)OC)NC(c1ccccc1O)C2,CI,0
COC(=O)C12CSCC1CC(c1ccc(N(C)C)cc1)N2,CI,0
O=C1NC2c3c(Cl)sc(Cl)c3C(O)C2O1,CI,0
O=C1NC2c3c(I)sc(I)c3C(O)C2O1,CI,0
O=C1NC2c3c(Cl)sc(Cl)c3C(=NO)C2O1,CI,0
O=C1NC2c3c(I)sc(I)c3C(=NO)C2O1,CI,0
CC(=NNC(=S)N(C)CCc1ccccn1)c1cnccn1,CI,0
CC(=NNC(=S)NCCc1ccccn1)c1cnccn1,CI,0
S=C(NCCc1ccccn1)NN=C(c1ccccc1)c1ccccn1,CI,0
CN(CCc1ccccn1)C(=S)NN=C(c1ccccc1)c1ccccn1,CI,0
NCCCCC(NC(=O)C(CS)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CI,0
NCCCCC(NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O,CI,0
O=C1CSC2=NC3=C(COCC3=Cc3ccc(F)cc3)C(c3ccc(F)cc3)N12,CI,0
O=C1CSC2=NC3=C(COCC3=Cc3ccc(Br)cc3)C(c3ccc(Br)cc3)N12,CI,0
N#CC12CCCC(=O)C1C1CCCC12,CI,0
COC(=O)C12CCCC(=O)C1C1CCCC12,CI,0
OCC1C2CCC3(OCCO3)C12,CI,0
C=CCOCC1C2CCC3(OCCO3)C21,CI,0
CC1(C)OCC(C2OC(OC(=O)c3ccc([N+](=O)[O-])cc3)C3OC(C)(C)OC23)O1,CI,0
CC1(C)OCC(C2OC(OC(=O)c3ccc(C(F)(F)F)cc3)C3OC(C)(C)OC23)O1,CI,0
O=C(OCC(OC(=O)c1ccccc1)C1CC(C2(O)CCCCC2)C(=O)O1)c1ccccc1,CI,0
C=C(C)C1CCC(C)C(O)(C2CC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)OC2=O)C1,CI,0
CC(C)CC1C(OCc2ccccc2)COS(=O)(=O)N1Cc1ccccc1,CI,0
CC(C)CC1C(OCc2ccccc2)COS(=O)(=O)N1C(C)c1ccccc1,CI,0
CC(C)CC1C(OCc2ccccc2)COS(=O)N1Cc1ccccc1,CI,0
CC(C)CC1C(OCc2ccccc2)COS(=O)N1C(C)c1ccccc1,CI,0
CC(=O)OCC(=O)OCC(OCc1ccccc1)C1C(OC(C)=O)C(=O)N1Cc1ccccc1,CI,0
CC(c1ccccc1)N1C(=O)C(O)C1C(CO)OCc1ccccc1,CI,0
C=CCC(NCc1ccccc1)C(OCc1ccccc1)C1COC(C)(C)O1,CI,0
CCC(C)C(NCc1ccccc1)C(OCc1ccccc1)C1COC(C)(C)O1,CI,0
CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccc(Br)cc1,CI,0
CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccccc1Cl,CI,0
[O-][n+]1onc(-c2ccccc2)c1CO,CI,0
NC(=O)NNCc1c(-c2ccccc2)no[n+]1[O-],CI,0
CNC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC)c2ccccc2)ccc1OC,CI,0
CCOC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC)c2ccccc2)ccc1OC,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1,CI,0
CNC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1,CI,0
N#CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1,CI,0
NCCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1,CI,0
CCN(CCCN(CC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
CCN(CCCN(CC)C(=O)Nc1c(C)cccc1C)C(=O)Nc1c(C)cccc1C,CI,0
CSc1ncc2c(C#N)c3n(C)c4ccccc4n3c(=O)c2n1,CI,0
CSc1ncc2c(C#N)c3[nH]c4ccccc4n3c(=O)c2n1,CI,0
Cl.O=c1c2ccccc2ncn1COCc1ccccc1,CI,0
Cl.O=c1c2cc(Br)ccc2ncn1COCc1ccccc1,CI,0
O=C1CC(=O)NC(NNS(=O)(=O)c2ccccc2)=N1,CI,0
O=C1CC(=O)NC(NNS(=O)(=O)c2ccc(Cl)cc2)=N1,CI,0
Oc1c(C2=NNC(c3cccs3)C2)ccc2ccccc12,CI,0
CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1cccs1,CI,0
O=C(c1ccco1)C1CC(c2ccc3ccccc3c2O)=NN1,CI,0
CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1C(=O)c1ccco1,CI,0
COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC,CI,0
O=[N+]([O-])c1ccc(N2N=C(c3c(O)ccc4ccccc34)CC2c2ccc(Cl)cc2)c([N+](=O)[O-])c1,CI,0
O=C(c1ccco1)C1CC(c2c(O)ccc3ccccc23)=NN1,CI,0
CC(=O)N1N=C(c2c(O)ccc3ccccc23)CC1C(=O)c1ccco1,CI,0
O=C(CNc1ccc(Cl)cc1Cl)NC1C=Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O,CI,0
O=C(CNc1c(Cl)cccc1Cl)NC1C=Cc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2C1=O,CI,0
O=c1c2[nH]cnc2n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
COc1ccc(-n2c(=O)c3[nH]cnc3n(-c3ccc(OC)cc3)c2=S)cc1,CI,0
Cc1ccc2nc(CN3CCCCC3)cc(=O)n2c1,CI,0
Cc1ccc2nc(CN3CCCC(O)C3)cc(=O)n2c1,CI,0
CCOC(=O)N1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1,CI,0
CCOC(=O)N1CCN(Cc2cc(=O)n3ccc(C)cc3n2)CC1,CI,0
CN1N(c2ccccc2)C(=O)C2=NC=C(C#N)C(=N)C21C,CI,0
CCOC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)C2(C)C1=N,CI,0
O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CSC12,CI,0
O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CI,0
COC(=O)CC1CN(C(=O)OCc2ccccc2)C(C)(C)O1,CI,0
CC1(C)OC(CCC#N)CN1C(=O)OCc1ccccc1,CI,0
CCOC(=O)c1[nH]cc(C)c1-c1ccc2c(-c3ccccc3)nc3ccccc3n12,CI,0
Cc1c[nH]c(C(=O)O)c1-c1ccc2c(-c3ccccc3)nc3ccccc3n12,CI,0
CCOC(=O)C1=CNC(C(=O)OCC)C1c1cccn1-c1ccccc1,CI,0
CCOC(=O)C1=CNC(C(=O)OCC)C1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-],CI,0
Cc1c(C(=O)O)n2cnnc2c2ccccc12,CI,0
Cc1c(C(=O)O)n2c(C)nnc2c2ccccc12,CI,0
O=c1[nH]nc(Cc2ccccc2)n1-n1cnnc1,CI,0
CCc1nnc(CC)n1-n1c(Cc2ccccc2)n[nH]c1=O,CI,0
CCc1c(O)cc(=O)oc1-c1ccc(OC)c(OC)c1,CI,0
CC(=O)N(C(C)=O)c1c(C)cc(-c2ccccc2)oc1=O,CI,0
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OCC(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1,CI,0
CC(=O)OC1C(O)COC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OCC(O)C(O)C3O)C4C2(C)C)C1OC1OCC(O)C(O)C1O,CI,0
CC1(C)CCc2cc3c(cc2O1)OC(C)(C)C1c2cc(O)c(OCc4ccccc4)cc2OC31,CI,0
CC1(C)CCc2cc3c(cc2O1)OCC1c2cc(O)c(OCc4ccccc4)cc2OC31,CI,0
COc1cc2c(cc1O)C1C(O2)c2cc3c(cc2OC1(C)C)OC(C)(C)CC3,CI,0
COc1cc2c(cc1O)C1COc3cc4c(cc3C1O2)CCC(C)(C)O4,CI,0
CNC(=O)N1NC(c2ccccc2)C1c1ccccc1.OB(O)O,CI,0
CN(C)C(=O)N1NC(c2ccccc2)C1c1ccccc1,CI,0
Cc1ccc(Cc2n[nH]c(=S)[nH]2)cc1,CI,0
S=c1[nH]nc(Cc2ccc(Cl)cc2)[nH]1,CI,0
N#CC1Cc2cc3c(cc21)OCO3,CI,0
NC(=O)C1Cc2cc3c(cc21)OCO3,CI,0
COc1ccc(CC2Cc3ccccc3CC(=O)N2)cc1OC,CI,0
COc1cccc(CC2Cc3ccccc3CC(=O)N2)c1,CI,0
COc1ccc(CCNC(=O)C2CCCCC2CCO)cc1OC,CI,0
O=C(NCCc1ccccc1)C1CCCCC1CCO,CI,0
Cc1cc(S(=O)(=O)Nc2nc(=N)nc3[nH]c4ccccc4n23)c(S)cc1Cl,CM,1
Cc1cc2[nH]c3nc(=N)nc(NS(=O)(=O)c4cc(C)c(Cl)cc4S)n3c2cc1C,CM,1
Cc1cc(S(=O)(=O)Nc2nnc3c4ccccc4ccn23)c(S)cc1Cl,CM,1
O=S(=O)(Nc1nnc2c3ccccc3ccn12)c1ccc(F)cc1S,CM,1
NNC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12,CI,0
CCOC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12,CI,0
CC(C)(C)[Si](C)(C)OC1CCOC1(O)c1ccccn1,CI,0
OC1CCOC1(O)c1ccccn1,CI,0
COc1ccc(N2CCOCC2)cc1,CI,0
N#Cc1ccc(N2CCOCC2)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3c(=O)o2)cc1,CI,0
O=C(NC(=Cc1ccccc1)c1nc2ccccc2c(=O)o1)c1ccccc1,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc(C=Cc2ccccc2)cc1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccc(C=Cc2ccccc2)cc1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc2ccccc2c1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccc2ccccc2c1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
CS[c-]1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1=O,CI,0
Cc1cc2c(cc1C)[n+](=O)[c-](C#N)c(NCCCN(C)C)[n+]2[O-].Cl,CI,0
[N-]=[N+]=N[IH2]1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21,CI,0
N#C[IH2]1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21,CI,0
CN(C)c1nc2oc(-c3ccccc3)c(-c3ccccc3)c2c2nncn12,CI,0
Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)oc3nc(N(C)C)n12,CI,0
CN(C)c1nc(Cl)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1,CI,0
CN(C)c1nc(NN)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1,CI,0
Cc1oc2nc(N(C)C)n3cnnc3c2c1C,CI,0
Cc1oc2nc(N(C)C)n3c(C)nnc3c2c1C,CI,0
Cc1oc2nc(N(C)C)nc(Cl)c2c1C,CI,0
Cc1oc2nc(N(C)C)nc(NN)c2c1C,CI,0
O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F,CI,0
NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1.O=C(O)C(F)(F)F,CI,0
O=C(OCc1ccccc1)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCc1ccccc1)CCCNC(=O)C(F)(F)F,CI,0
NCCCN(CCCCN(CCCN)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F,CI,0
NCCCN(CCCCN(CCCN)Cc1ccccc1)Cc1ccccc1.O=C(O)C(F)(F)F,CI,0
CC(C)(C)OC(=O)N(CCCCNCc1ccc2ccccc2c1)CCCNCc1ccc2ccccc2c1,CI,0
O=C(O)C(F)(F)F.c1ccc2cc(CNCCCCNCCCNCc3ccc4ccccc4c3)ccc2c1,CI,0
CC(C)(C)OC(=O)N(CCCCNC(=O)OCc1ccccc1)CCCNC(=O)OCc1ccccc1,CI,0
O=C(NCCCCNCCCNC(=O)OCc1ccccc1)OCc1ccccc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)[N-]C2C(=O)c3ccccc3C(=O)C2[n+]2ccccc2)cc1,CI,0
Cc1ccc(S(=O)(=O)[N-]C2C(=O)c3ccccc3C(=O)C2[n+]2cccc(C(N)=O)c2)cc1,CI,0
Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCCC2)cc1,CI,0
O=S(=O)(Nc1nc2ccccc2nc1N1CCCCCC1)c1ccccc1,CI,0
CCOC(=O)c1cc2cc(Cc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1,CI,0
c1cc2cc(Cc3ccc4[nH]ccc4c3)ccc2[nH]1,CI,0
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-],CI,0
CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
Nc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1,CI,0
COc1cc(Nc2ccc3c(c2)CCC3)nc(OC)n1,CI,0
CCOC(=O)C1(C(N)=O)C(=O)c2ccncc2C1=O,CI,0
N#CC1(C#N)C(=O)c2ccncc2C1=O,CI,0
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(N2C=CC(N)NC2=O)CC1F,CA,1
CC(C)(C)C(=O)OCOP(=O)(O)OCC1CCC(N2C=CC(N)NC2=O)O1,CA,1
Cl.O=C(OCC1CCCN2CCCCC12)c1ccc(Cl)cc1,CI,0
O=C(O)c1ccccc1C(=O)OCC1CCCN2CCCCC12,CI,0
C1=C(c2ccccc2)NC2=NC3CCCCC3N2C1c1ccccc1,CI,0
Clc1ccc(C2=CC(c3ccccc3)N3C(=NC4CCCCC43)N2)cc1,CI,0
COc1ccccc1-c1n[nH]c(-c2ccccc2O)n1,CI,0
Oc1ccccc1-c1n[nH]c(-c2ccccc2O)n1,CI,0
O=C1C=CC=CC1=C1N=C(c2ccccc2OCC(=O)c2ccccc2)SS1,CI,0
O=C1C=CC=CC1=C1N=C(c2ccccc2OCC(=O)c2ccc(Br)cc2)SS1,CI,0
Cc1nn(C2OC(CO)C(O)C(F)C2O)c(=O)[nH]c1=O,CI,0
O=c1cnn(C2OC(CO)C(O)C(F)C2O)c(=O)[nH]1,CI,0
Cc1ccc(-n2nncc2[Si](C)(C)C)s1,CI,0
Cc1ccc(-n2cc([Si](C)(C)C)nn2)s1,CI,0
O=[N+]([O-])c1ccc(-n2cnc3c(O)nc(O)nc32)nc1,CI,0
Nc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cn1,CI,0
O=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)C(=O)N1,CI,0
COc1ccc(CC2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1,CI,0
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1,CI,0
CC(=O)OCCOCN1C(=O)NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O,CI,0
CC(CCc1nc(C#N)c(N)o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(CCc1nc(C#N)c(N)o1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(=CC#N)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OC1C(=CC#N)C(n2ccc(=O)[nH]c2=O)OC1CO,CI,0
COc1ccccc1C(=O)c1c(NCc2ccccc2)c(=O)c1=O,CI,0
O=C(c1ccccc1F)c1c(NCc2ccccc2)c(=O)c1=O,CM,1
CCN(CC)c1c(C(C)(C)C)c(=O)n2ccsc2c1OC(C)=O,CI,0
CC(=O)Oc1c(OC(C)C)cc(=O)n2ccsc12,CI,0
Cc1ccc(C)n1-c1ccccc1C1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32,CI,0
COc1c(OC(C)C)c(OC(C)C)c2oc(=O)n3c2c1C(c1ccccc1-n1c(C)ccc1C)C=C3,CI,0
CC(C)Oc1c(O)c2c3c(oc(=O)n3C=CC2c2ccccc2)c1OC(C)C,CI,0
CC(C)Oc1c(O)c2c3c(oc(=O)n3C=CC2c2ccccc2F)c1OC(C)C,CI,0
COc1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1,CI,0
CN(C)c1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1,CI,0
N#CCc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1,CI,0
Cc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1,CI,0
N=c1oc2ccccc2cc1-c1nc(O)c2ccccc2n1,CI,0
CCN(CC)c1ccc2cc(-c3nc(O)c4ccccc4n3)c(=N)oc2c1,CI,0
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1cccc(C)c1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)C(NCc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F,CI,0
CCOC(=O)C(NCc1cccc(C(F)(F)F)c1)(NC(=O)c1ccccc1)C(F)(F)F,CI,0
N#Cc1nc(CCC(C(=O)O)N2C(=O)c3ccccc3C2=O)oc1N,CI,0
N#Cc1nc(CCCN2C(=O)c3ccccc3C2=O)oc1N,CI,0
COc1c(C)c2nc3ccccc3nc2c2c(O)ccnc12,CI,0
CCOc1ccnc2c(OC)c(C)c3nc4ccccc4nc3c12,CI,0
CC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(C)=O)c(C(=O)OCc3ccccc3)c2)cc1C(=O)OCc1ccccc1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)OCc6ccccc6)c5)c5cc(Cl)c(O)c(C(=O)OCc6ccccc6)c5)CCC4(C)C3CCC12C,CI,0
O=C1c2ccccc2C(=O)c2c(NCCNC(=O)C3CCCN3)ccc(NCCNC(=O)C3CCCN3)c21,CI,0
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNc1ccc(NCCNC(=O)C2CCCN2C(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O,CI,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O,CI,0
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O,CI,0
O=C1C(=Cc2ccccc2)N=C2Sc3c(O)ncnc3N12,CI,0
COc1ccc(C=C2N=C3Sc4c(O)ncnc4N3C2=O)cc1,CI,0
NC1=C(N2CCCCC2)C(=O)NC2=NC(=Cc3ccccc3)C(=O)N21,CI,0
COc1ccc(C=C2N=C3NC(=O)C(N4CCCCC4)=C(N)N3C2=O)cc1,CI,0
NC(=S)Nc1nc(S)nc2c1SC1=NC(=Cc3ccco3)C(=O)N12,CI,0
O=C1C(=Cc2ccco2)N=C2Sc3c(O)ncnc3N12,CI,0
S=C1N=C(Cl)C(=Cc2ccccc2)N1,CI,0
COc1ccc(C=C2NC(=S)N=C2Cl)cc1,CI,0
C1CCNCC1.O=C1NC(=S)NC1=Cc1ccccc1O,CI,0
C1CCNCC1.CN(C)c1ccc(C=C2NC(=S)NC2=O)cc1,CI,0
O=C1NC(N2CCCCC2)=NC1=Cc1cccs1,CI,0
O=C1NC(N2CCCC(CO)C2)=NC1=Cc1cccs1,CI,0
CCn1c(=O)ccc2ccc(N(CCO)CCO)nc21,CI,0
Cn1c(=O)ccc2ccc(N(CCO)CCO)nc21,CI,0
CCn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1,CI,0
Cn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1,CI,0
O=C1CCC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0
O=C1CCC(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
O=c1[nH]nc(-c2ccccc2)n1-n1cccc1,CI,0
Cc1ccc(C)n1-n1c(-c2ccccc2)n[nH]c1=O,CI,0
Cc1n[nH]c(=O)n1-n1cccc1,CI,0
CCc1n[nH]c(=O)n1-n1c(C)ccc1C,CI,0
N#Cc1nnn(C2CCCCC2)c1O,CI,0
CNC(=O)c1nnn(C2CCCCC2)c1S,CI,0
CC1(C)C[N+]23CCC[N+]4(CCC2)CC(C)(C)[SH+][Ni-2]34[SH+]1,CI,0
C1C[N+]23CCC[N+]4(C1)CC[SH+][Ni-2]24[SH+]CC3,CI,0
Cc1ccsc1C=NNc1nncc2ccccc12,CI,0
Cc1ccc(C=NNc2nncc3ccccc23)s1,CI,0
Cc1ccsc1C=NNc1nc2ccccc2s1,CI,0
Cc1ccc(C=NNc2nc3ccccc3s2)s1,CI,0
Cc1ccsc1C=NNc1cnccn1,CI,0
Cc1ccc(C=NNc2cnccn2)s1,CI,0
Cc1ccsc1C=NNc1ncccn1,CI,0
Cc1ccc(C=NNc2ncccn2)s1,CI,0
Cc1ccsc1C=NNc1ccccn1,CI,0
Cc1ccc(C=NNc2ccccn2)s1,CI,0
Cc1ccsc1C=NNC1=NCCN1,CI,0
Cc1ccc(C=NNC2=NCCN2)s1,CI,0
O=C1CCOc2cc(ccc2O)CCN1,CI,0
COC(=O)C1Cc2ccc(OC)c(c2)OCCC(=O)N1,CI,0
CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNNc1c(OCc2ccccc2)c(=O)c1=O,CI,0
CCOC(=O)CNc1c(OCc2ccccc2)c(=O)c1=O,CI,0
CC1N=NC([S-])=NC1=O.[Cl-].[Pt],CM,1
CC1N=NC([S-])=NC1=O.[Pd+2],CI,0
CC(=O)NC1C(OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O)C(C)C,CI,0
CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1[N+](=O)[O-])[O+]=C(C)[C-]([N+](=O)[O-])C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1CN(C)C)[O+]=C(C)[C-](CN(C)C)C(C)=[O+]3.[H+].[H+].[O-][Cl+3]([O-])([O-])[O-],CI,0
CC(C(O)Cc1ccccc1)N(C)N=Nc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(N=NN(C)C(C)C(O)Cc2ccccc2)cc1,CI,0
COc1ccc(C=NNC(=O)c2cnc3[nH]c(=O)n(C)c(=O)c3c2)cc1,CI,0
Cc1nc2c(cc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C,CI,0
N#CC(=NNc1[nH]cnc1C(N)=O)C(=O)Nc1ccccc1,CI,0
Cc1ccccc1NC(=O)C(C#N)=NNc1[nH]cnc1C(N)=O,CI,0
CCOC(=O)c1nnsc1NN=Cc1ccc([N+](=O)[O-])cc1,CI,0
NC(=O)c1nnsc1NN=Cc1ccc([N+](=O)[O-])cc1,CI,0
CNC(=O)c1nnn(Cc2ccccc2)c1S,CI,0
NC(=O)c1nnn(Cc2ccccc2)c1N,CI,0
COC(=O)c1cc(C#N)[nH]c1-c1ccsc1,CI,0
COC(=O)c1c(C#N)[nH]c(-c2ccsc2)c1C(=O)OC,CI,0
O=C1c2sc(-c3ccc(F)cc3)cc2-n2cccc21,CI,0
O=C1c2sc(-c3ccc(Cl)cc3)cc2-n2cccc21,CI,0
O=c1onc2n1-c1cc(Cl)ccc1C(=S)N1CSCC21,CI,0
O=c1onc2n1-c1ccc(Cl)cc1C(=S)N1CSCC21,CI,0
S=C1c2ccccc2N=C(NC2CCCC2)C2CSCN12,CI,0
S=C1c2cc(Cl)ccc2N=C(NC2CCCC2)C2CSCN12,CI,0
CC1=CC(C)(C)C2OC3(O)CC4(C)C(c5ccoc5)OC5(C(C)C)CC4C4(C3)OC1(O)C2(O)C4O5,CI,0
CC(=O)OC12C3OC4(O)CC5(C)C(c6ccoc6)OC6(C(C)C)CC5C(C4)(OC1(O)C(C)=CC3(C)C)C2O6,CI,0
CC(=O)Nc1ccc(OC2=CCN(C)CC2)cc1,CI,0
CCCN(CCC)CCc1ccc(OC2=CCN(C)CC2)cc1.O=C(O)C(=O)O,CI,0
Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc2ccccc2)c2ccc3ccccc3c21,CI,0
Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc2ccccc2)c2ccc3cc(Cl)c(Cl)cc3c21,CI,0
CC1CC(=O)Nc2nc3ccccc3n21,CI,0
CC1Cn2c(nc3ccccc32)NC1=O,CI,0
COc1cc(OC)c2c(O)c3c(cc2c1)CC(C)(C)CC3=O,CI,0
CC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)CC(C)(C)CC3=O,CI,0
COc1ccc(-c2ncnc(-c3ccc(OC)c(OC)c3)n2)cc1OC,CI,0
O=[N+]([O-])c1cccc(-c2ncnc(-c3cccc([N+](=O)[O-])c3)n2)c1,CI,0
COC(=O)c1cnn2c1n[n+]([O-])c1ccccc12,CI,0
N#Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12,CI,0
CCC(O)C(C)C=C1SCCCS1,CI,0
CCCCCC(O)C(C)C=C1SCCCS1,CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)(O)O)cc4)ccc3C)c2)c1.[NaH],CM,1
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)(O)O)cc4CP(=O)(O)O)ccc3C)c2)c1.[NaH],CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)c1cccc(N)c1,CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)c1cccc(N)c1,CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)ccc1C.[NaH],CI,0
Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)ccc1C,CI,0
O=C1[OH+][Co-4]23(NCC[N+]2(CCCl)CCCl)([OH+]1)[OH+]C(=O)[OH+]3.[K+],CI,0
CC[N+]1(CC)CCN[Co-4]123([OH+]C(=O)[OH+]2)[OH+]C(=O)[OH+]3.[K+],CI,0
Clc1ccc(C2C3COc4ccccc4C3=NN2c2ccccc2)cc1,CI,0
COc1ccc(C2C3COc4ccccc4C3=NN2c2ccccc2)cc1,CI,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=Nc1ccc(cc1)-c1ccc(cc1)N=C2,CI,0
C1=Nc2ccc(cc2)-c2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,CI,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=Nc1ccc(cc1)N=C2,CI,0
C1=Nc2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,CI,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=NCCNCCNCCN=C2,CI,0
C1=NCCNCCNCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,CI,0
S=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1,CI,0
S=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1,CI,0
CCC1(CC)C(=O)NN(C(=O)c2ccccc2)C1=O,CI,0
CCC1(CC)C(=O)NN(C(=O)c2ccc(Cl)cc2)C1=O,CI,0
CCC(=O)N1NC(=O)C(CC)(CC)C1=O,CI,0
CCC(=O)N1C(=O)C(CC)(CC)C(=O)N1C(=O)CC,CI,0
O=C1CCCC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0
O=C1CCCC(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2C1C(=O)O,CI,0
CC1(C)Oc2ccc3c(=O)cc(-c4ccc(F)cc4)oc3c2C1C(=O)O,CI,0
c1ccc(-c2cc(-c3cc(-c4ccccc4)[nH]n3)[nH]n2)cc1,CI,0
Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)[nH]n2)cc1,CI,0
CC(=O)N1C(=O)C(=CC(=O)c2ccc(Cl)cc2)c2ccccc21,CI,0
CC(=O)N1C(=O)C(=CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21,CI,0
O=C(NN=C(c1ccccc1)c1ccccc1)C(O)=CC(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(C(=O)C=C(O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1,CI,0
Clc1cc2ncn(C3CCCO3)c2cc1Cl,CI,0
Cc1cc2ncn(C3CCCO3)c2cc1C,CI,0
Clc1ccc(CNc2nc(Cl)c3nc[nH]c3n2)cc1Cl,CI,0
Oc1nc(NCc2ccc(Cl)cc2)nc2[nH]cnc12,CI,0
CC(C)(C)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)N(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1,CI,0
O=C(O)CCCCCNC(=O)CCC(CN(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)N(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1,CI,0
C=C(C)C1CCC2=CC(OC2=O)C(C(=C)C)c2cc(C(=O)O)c(o2)C1,CI,0
C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2C=C(C(=O)O2)C(O)C1O,CI,0
CCOC(=O)C1=C(N)Oc2cc(O)cc(O)c2C1c1ccccc1,CI,0
N#CC1=C(N)Oc2cc(O)cc(O)c2C1c1ccccc1,CI,0
O=C(CCc1ccc(O)cc1)NCCc1cccc(OCc2ccccc2)c1,CI,0
O=C(CCc1cccc(O)c1)NCCc1cccc(OCc2ccccc2)c1,CI,0
Cc1ccccc1-n1c(=O)c2ncn(C3CCCO3)c2n(-c2ccccc2C)c1=S,CI,0
O=c1c2ncn(C3CCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
OCCO[P+]1(OCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-],CI,0
OCCOCCO[P+]1(OCCOCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-],CI,0
CC1C2(C)OC(=N)C(C#N)(C(c3ccccc3)O2)C1(C#N)C#N,CI,0
CC1C2(C)OC(=N)C(C#N)(C(c3cccc([N+](=O)[O-])c3)O2)C1(C#N)C#N,CI,0
N#CC1=C(N)OC(c2cccc([N+](=O)[O-])c2)C1(C#N)C#N,CI,0
N#CC1=C(N)OC(c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N,CI,0
N#Cc1c(C#N)c(-c2ccco2)n(-c2ccccc2)c1N,CI,0
COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccco2)cc1,CI,0
CCC(C#N)N(Cc1ccc(CN(C(=O)c2ccccc2)C(C#N)CC)cc1)C(=O)c1ccccc1,CI,0
CCCN(C(=O)c1ccccc1)C(C#N)c1ccc(C(C#N)N(CCC)C(=O)c2ccccc2)cc1,CI,0
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1,CI,0
CC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1,CI,0
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1,CI,0
CCC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1,CI,0
N#CC(Nc1ccccc1)c1ccc(C(C#N)Nc2ccccc2)cc1,CI,0
CCOP(=O)(OCC)C(Nc1ccc(C(=O)O)cc1)c1ccc(C(Nc2ccc(C(=O)O)cc2)P(=O)(OCC)OCC)cc1,CI,0
N#CC(NCCc1ccccc1)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)NCCc3ccccc3)cc2)cc1,CI,0
CC(=O)N(CCc1ccccc1)C(C#N)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)N(CCc3ccccc3)C(C)=O)cc2)cc1,CI,0
CC1=CC(=O)N(n2c(C)n[nH]c2=O)C1=O,CI,0
CCCc1n[nH]c(=O)n1N1C(=O)C=CC1=O,CI,0
O=C1C2CCCCC2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0
O=C1C2CCCCC2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
O=C1C2CC=CCC2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0
O=C1C2CC=CCC2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O,CI,0
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C12,CI,0
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C12,CI,0
Cc1nc2c(O)nc3ccc(Cl)cc3c2o1,CI,0
Cc1nc2c(O)nc3ccccc3c2o1,CI,0
Oc1nc2ccccc2c2oc(-c3ccccc3)nc12,CI,0
Oc1nc2ccc(Cl)cc2c2oc(-c3ccccc3)nc12,CI,0
O=C1C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1,CI,0
O=C1C(=CNc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1,CI,0
O=C(Nc1ccccc1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O,CI,0
Cc1ccc(NC(=O)c2cc3c(cc2Cl)Sc2nccn2S3(=O)=O)cc1,CI,0
O=C1C=CC(=O)C(CNc2ccc(C(=O)OC34CC5CC(CC(C5)C3)C4)cc2)=C1,CI,0
O=C1C=CC(=O)C(CNc2ccc(C(=O)OC34CC5CC(CC(C5)C3)C4)cc2)=C1Br,CI,0
C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(=O)CCCCCCC)CC1O,CI,0
C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(C)=O)CC1O,CI,0
Nc1ncnc2oc(-c3cccs3)nc12,CI,0
CCc1nc(N)c2nc(-c3cccs3)oc2n1,CI,0
O=C(C=Cc1ccc(C=CC(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1,CI,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(C=CC(=O)c3cc(CN(C)C)c(O)c(CN(C)C)c3)cc2)cc(CN(C)C)c1O.Cl,CI,0
COc1ccccc1CNCc1nc2ccccc2[nH]1.Cl,CI,0
Cl.Oc1ccccc1CNCc1nc2ccccc2[nH]1,CI,0
Cn1c(=O)c2c(nc(Nc3ccc(Cl)cc3)n3c(=O)n(-c4ccccc4)c(=O)n23)n(C)c1=O,CI,0
CCOc1ccc(-n2c(=O)n3c(Nc4ccc(Cl)cc4)nc4c(c(=O)n(C)c(=O)n4C)n3c2=O)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCNCC2)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCN(CCO)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(CCO)CC2)cc1,CI,0
CCN(CC)C1=Nc2ccccc2-n2ccnc2C1,CI,0
CCN(CC)C1=Nc2ccccc2-n2c(C)cnc2C1,CI,0
CNc1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1.Cl,CI,0
CN(C)c1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1,CI,0
O=c1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)[nH]1,CI,0
Cn1c(=O)nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c1=O,CI,0
CCCCc1ccc(Nc2nc(Cl)c3c(ncn3C3CC(Oc4ccc(C)cc4)C(COc4ccc(C)cc4)O3)n2)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)CC2Oc2ccc(C)cc2)cc1,CI,0
CCCCc1ccc(Nc2nc(Cl)c3ncn(C4CC(Oc5ccc(C)cc5)C(COc5ccc(C)cc5)O4)c3n2)cc1,CI,0
Cc1ccc(OCC2OC(n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)CC2Oc2ccc(C)cc2)cc1,CI,0
CC(=O)OCC1OC(n2cnc3nc(Br)nc(O)c32)C(OC(C)=O)C1OC(C)=O,CM,1
Nc1nc(Br)nc2ncn(C3CC(O)C(CO)O3)c12,CI,0
Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1Cc1ccccc1,CI,0
Oc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1Cc1ccccc1,CI,0
O=C(NCc1ccc(Cl)cc1)c1cc2sccc2nc1C(F)(F)F,CM,1
O=C(NCc1cccc(C(F)(F)F)c1)c1cc2sccc2nc1C(F)(F)F,CI,0
C=CCC1(O)C(=O)OC2C(O)COC21O,CI,0
C=CCOC1(CC=C)C(=O)OC2C(O)COC21O,CI,0
CCOP(=O)(OCC)C(C#N)=Cc1cccn1Cc1ccccc1,CI,0
CC(C)Cc1c(C#N)c(C#N)c(N)n1Cc1ccccc1,CI,0
O=C(NCCC1([N+](=O)[O-])CCN(C(=O)c2ccccc2)CC1)c1ccccc1,CI,0
Cl.NC1(CCNC(=O)c2ccccc2)CCN(C(=O)c2ccccc2)CC1,CI,0
CN(C)c1ccc(N=Nc2cccc3ncccc23)cc1,CI,0
Cc1cc(N=Nc2c(C)ccc3ncccc23)ccc1N,CI,0
CCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C(CO)O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(CO)C(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C2O)c(=O)n1,CA,1
CCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(CO)O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(CO)O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)C(O)C2O)c(=O)n1,CI,0
CC(NC(=O)c1ccccc1)NC(=O)C(C)C(=O)Nc1ccccc1,CI,0
CC(C(=O)NCNC(=O)c1ccccc1)C(=O)Nc1ccccc1,CI,0
O=C1CC(=CO)C(=O)c2ccccc2N1,CI,0
CSC(SC)=C1CC(=O)Nc2ccccc2C1=O,CI,0
CSC1=C(C#N)C(=C(C#N)C#N)NC(C)=C1C(C)=O,CI,0
CC(=O)C1=C(C)NC(=C(C#N)C#N)C(C#N)=C1,CI,0
OCC1OC(n2cnc3cccnc32)CC1O,CI,0
Nc1ccnc2c1ncn2C1CC(O)C(CO)O1,CI,0
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C,CI,0
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C,CI,0
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(OC5OC(CO)C(O)C(O)C5O)C(=O)CC4C3(C)C(=O)CC12C,CI,0
CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C,CI,0
CC1=C(C2=C(C)C(=O)C(=O)c3cc(C)ccc32)c2ccc(C)cc2C(=O)C1=O,CI,0
O=C1C=C(C2=CC(=O)C(=O)c3ccccc32)c2ccccc2C1=O,CI,0
CC(C)[Si](OC1=CCCC2NC(=O)C(Cc3ccc([N+](=O)[O-])cc3)C12C)(C(C)C)C(C)C,CI,0
CC(C)[Si](OC1=CCCC2NC(=O)C(Cc3ccccc3)C12C)(C(C)C)C(C)C,CI,0
Cc1ccc(S(=O)(=O)n2cc(C=O)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3C=O)c2)cc1,CI,0
Cc1ccc(S(=O)(=O)n2cc(C=CC#N)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3C=CC#N)c2)cc1,CI,0
O=Cc1cc(C(=O)OCc2ccccc2)n(S(=O)(=O)c2ccccc2)c1,CI,0
COP(=O)(C=Cc1cc(C(=O)OCc2ccccc2)n(S(=O)(=O)c2ccccc2)c1)OC,CM,1
Cc1ccc(-c2n[nH]c(CC#N)n2)cc1,CI,0
N#CCc1nc(-c2ccccc2)n[nH]1,CI,0
CC(=O)OC1CCC2C3CCc4c(C)ccc(OS(=O)(=O)c5ccccc5)c4C3CCC12C,CI,0
CC(=O)OC1CC2C(CCC3(C)C(OC(C)=O)CCC23)c2c(OS(=O)(=O)c3ccccc3)ccc(C)c21,CI,0
O=C1C(=Cc2ccc(Br)s2)NC(=S)N1CN1CCOCC1,CI,0
O=C1C(=Cc2cccs2)NC(=S)N1CN1CCOCC1,CI,0
O=C1NC(=S)NC1=Cc1ccc(Br)s1,CI,0
O=C1NC(=S)NC1=Cc1cccs1,CI,0
N#Cc1c(NC(=S)Nc2ccccc2)sc2c1CCCC2,CI,0
N#Cc1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCCC2,CI,0
C1=Nc2sc3c(c2C2=NCCN12)CCCC3,CI,0
CC1=Nc2sc3c(c2C2=NCCN12)CCCC3,CI,0
CCOC(=O)CN1CC(C2=C(O)CN(CC(=O)OCC)C2=O)=CC1=O,CI,0
NC(=O)CN1CC(C2=C(O)CN(CC(N)=O)C2=O)=CC1=O,CI,0
Cn1c(=O)cc(N2CCCC2)[nH]c1=O,CI,0
Cn1c(N2CCCC2)c(C=O)c(=O)n(C)c1=O,CI,0
Oc1nnc(Nc2ccccc2)c2nnn(C3CCCCC3)c12,CI,0
Oc1nnc(Nc2ccc(Cl)cc2)c2nnn(C3CCCCC3)c12,CI,0
CC(Nc1nnc(O)c2c1nnn2Cc1ccccc1)c1ccccc1,CM,1
Oc1nnc(NCc2ccccc2)c2nnn(Cc3ccccc3)c12,CI,0
O=C(O)Cc1ccc(-n2nnc3c(O)nnc(O)c32)cc1,CI,0
CC(C(=O)O)c1ccc(-n2nnc3c(O)nnc(O)c32)cc1,CI,0
CC(=O)Oc1ccn2nc(C)c(Br)c2c1,CI,0
CC(=O)Oc1ccn2nc(C)c(Br)c2c1Br,CI,0
COC(=O)C1(C(=O)OC)Cc2ccc(C)cc2C2=C1C(=O)c1ccccc1C2=O,CI,0
COC(=O)C1(C(=O)OC)Cc2ccc(OC)cc2C2=C1C(=O)c1ccccc1C2=O,CI,0
COc1ccc(NC2C(=O)C3(C)CCC2C3(C)C)cc1,CI,0
CC12CCC(C(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1=O)C2(C)C,CI,0
C1CCC(NC2CCCCC2)CC1.COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NCC(=O)O)cc1,CI,0
C1CCC(NC2CCCCC2)CC1.COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)cc1,CI,0
COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)C(C)C(C)O2,CI,0
CC(C)Oc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)C(C)C(C)O2,CI,0
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,CI,0
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CI,0
CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCOP(C)(=O)O1.[Br-],CI,0
CCCCCCCCCCCCCCCC1C[N+](C)(C)CCOP(C)(=O)O1.[Br-],CI,0
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1,CI,0
COc1ccc(Cn2nc(OCc3ccccc3)c3cc([N+](=O)[O-])ccc32)cc1,CI,0
CC(=O)OCC1OC(SC2=NC(=O)C(=Cc3ccccc3)S2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=C1N=C(SC2OC(CO)C(O)C(O)C2O)SC1=Cc1ccccc1,CI,0
N#Cc1c2c(c(-c3cccs3)n(C3OC(CO)C(O)C(O)C3O)c1=S)CCc1ccccc1-2,CI,0
CC(=O)OCC1OC(n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1=NNC(=O)C2C1CCC1C2CCC2(C)C(O)CCC12,CI,0
CC(=O)OC1CCC2C3CCC4C(C)=NNC(=O)C4C3CCC12C,CI,0
O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1c1ccccc1,CI,0
CC(C)(C)C1CCC(O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1,CI,0
CCOC(=O)C1CCC(=O)N1C(=O)c1ccccc1,CI,0
CCOC(=O)C(=[N+]=[N-])C(=O)C1(C(=O)OCC)CCN(C(=O)c2ccccc2)C1=O,CI,0
COc1cc(C2c3cc(O)c(OC)cc3C=C(C(N)=O)C2C(N)=O)ccc1O,CI,0
COC(=O)C1=Cc2cc(OC)c(O)cc2C(c2ccc(O)c(OC)c2)C1C(=O)OC,CI,0
Oc1ccccc1C=Nc1ccccc1SSc1ccccc1N=Cc1ccccc1O,CI,0
CCOc1cccc(C=Nc2ccccc2SSc2ccccc2N=Cc2cccc(OCC)c2O)c1O,CI,0
Cl.NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1,CI,0
NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1,CI,0
O=C(O)Cc1cccc2c1OC(c1ccccc1)C(Cl)(C(=O)c1ccccc1)C2=O,CI,0
O=C(O)Cc1cccc2c1OC(c1ccccc1)C(C(=O)c1ccccc1)C2=O,CI,0
CC(=O)Nc1ccc(CNc2cc(O)nc(O)n2)cc1,CI,0
[N-]=[N+]=Nc1ccc(CNc2cc(O)nc(O)n2)cc1,CI,0
N=C1C(=Cc2ccco2)C(=O)N=C2SC=NN12,CI,0
CC1=NN2C(=N)C(=Cc3ccco3)C(=O)N=C2S1,CI,0
Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccccc3)nc2s1,CI,0
Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccc(F)cc3)nc2s1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(NNc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)n1,CI,0
Nc1c2ccccc2nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(N)c3c2)cc1,CM,1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c4c3)cc2)no1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c4c3)cc2)n1,CM,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cc34)cc2)n1,CM,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc34)cc2)n1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cc34)cc2)no1,CI,0
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6nccc(C)n6)cc5)c4c3)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c4c3)cc2)n1,CI,0
COC(=O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCC3,CI,0
O=C(O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCC3,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1O)CCC3,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3,CI,0
O=C(O)C=CC(=O)O.[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccccc3)cc2)CC1,CI,0
[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccc(CSCC(N)C(=O)O)cc3)cc2)CC1,CI,0
CC(C)(C)c1ccc(O)c(C(O)c2ccncc2)c1,CI,0
Cc1cccc(C(O)c2ccncc2)c1O,CI,0
CC(C)(C)c1ccc(O)c(C(O)c2cccnc2)c1,CI,0
Cc1cccc(C(O)c2cccnc2)c1O,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ccsc12,CI,0
CC(=O)OCC1OC(n2c(=O)[nH]c(=O)c3sccc32)C(Br)C1OC(C)=O,CI,0
O=c1[nH]c2ccsc2c(=O)n1COCc1ccccc1,CI,0
Cc1csc2c(=O)n(COCc3ccccc3)c(=O)[nH]c12,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCCCC2,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCC2,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCCC2,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2,CI,0
O=S(CCc1ccccc1)Nc1ccccc1,CI,0
COc1ccc(NS(=O)CCc2ccccc2)cc1,CI,0
O=S(Nc1ccccc1)c1ccc(-c2ccccc2)cc1,CI,0
COc1ccc(NS(=O)c2ccc(-c3ccccc3)cc2)cc1,CI,0
N#CC1(C#N)NC(c2ccsc2)C(C#N)(C#N)NC1c1ccsc1,CI,0
COC(=N)C1(C#N)NC(c2ccsc2)C(C#N)(C#N)NC1c1ccsc1,CI,0
NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1,CI,0
O=C(OCc1ccccc1)C(Cc1ccc(OCc2ccccc2)cn1)NC(=O)C(F)(F)F,CI,0
CN(C)c1ccc(Cc2cc3c(O)ccc(O)c3cc(Cc3ccc(N(C)C)cc3)c2=O)cc1,CI,0
COc1ccc(OC)c2cc(Cc3ccc(N(C)C)cc3)c(=O)c(Cc3ccc(N(C)C)cc3)cc12,CI,0
COCOc1c(C(OCOC)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC,CI,0
COCOc1c(C(O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC,CI,0
Nc1cccnc1NCC1(CO)CCCC1,CI,0
O=[N+]([O-])c1cccnc1NCC1(CO)CCCC1,CI,0
O=c1ccn(CC2(CO)CCC2)c(=O)[nH]1,CI,0
Cc1cn(CC2(CO)CCC2)c(=O)[nH]c1=O,CI,0
CCOP(=O)(CCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC,CI,0
CCOP(=O)(CCCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC,CI,0
Nc1nc(Cl)cc(OCC2(CO)CC2)n1,CI,0
C=CC1CC1(CO)COc1cc(Cl)nc(N)n1,CI,0
COC1C=C(NCC2(CO)CCC2)NC(=N)N1,CI,0
CC1C=C(NCC2(CO)CCC2)NC(=N)N1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CCC(OCc3ccccc3)C2)n1,CM,1
Nc1nc(Cl)c(N)c(NCC2(CO)CCC(OCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(CCCc3ccccc3)C2)n1,CI,0
Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(Cc3ccccc3)C2)n1,CI,0
Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(Cc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(=O)C2)n1,CI,0
Nc1nc(Cl)c(C=NO)c(NCC2(CO)CC(=O)C2)n1,CI,0
CN1NC2=NCCCN2C1=O,CI,0
O=C1N(CCO)NC2=NCCCN12,CI,0
CN(NC(=O)c1ccco1)C1=NCCN1.I,CI,0
I.O=C(NNC1=NCCN1)c1ccco1,CI,0
CN(N=Cc1ccc2ccccc2c1)C1=NCCCCN1.I,CI,0
C(=NNC1=NCCCCN1)c1ccc2ccccc2c1.I,CI,0
CN(N=Cc1ccc2ccccc2c1)C1=NCCCN1.I,CI,0
C(=NNC1=NCCCN1)c1ccc2ccccc2c1.I,CI,0
CN(N=C(C(=O)O)c1ccccc1)C1=NCCCN1.I,CI,0
COc1cc(C=NNC2=NCCCN2)ccc1O.I,CI,0
COCCN(C(=O)c1ccccc1)C1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0
COC(CN(C(=O)c1ccccc1)C1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC,CI,0
O=C(O)CCSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCCC(=O)O)c5ccccc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ccccc12.[NaH],CM,1
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc2ccccc2c1O.[NaH],CM,1
O=C(NCc1ccccc1)c1c(O)nc2ccccc2c1O,CI,0
O=C(NCc1ccccc1Cl)c1c(O)nc2ccccc2c1O,CI,0
Nc1c2ccccc2nc2ccc3c(=O)cc(-c4ccccc4)oc3c12,CI,0
O=c1cc(-c2ccccc2)oc2c1ccc1nc3ccccc3c(O)c12,CI,0
COC(=O)C1=NN2c3ccccc3C(=O)OCCC2C1,CI,0
COC(=O)C1=NN2c3ccccc3C(=O)OCCC2(C)C1,CI,0
COc1c(C(=O)O)cccc1-c1cccc(C(=O)NCCN(CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)c1OC,CI,0
COc1c(C(=O)NCCN(CCNC(=O)c2cccc(-c3cccc(C(=O)N(C)C)c3OC)c2OC)CCNC(=O)c2cccc(-c3cccc(C(=O)N(C)C)c3OC)c2OC)cccc1-c1cccc(C(=O)N(C)C)c1OC,CI,0
CC12Nc3c(Cl)cc(Cl)cc3N1C(=O)c1ccccc12,CI,0
CC12Nc3ccccc3N1C(=O)c1ccccc12,CI,0
N#Cc1c(N2CCCC2)ncn(Cc2ccccc2)c1=S,CI,0
CCOC(=O)c1c(N2CCCC2)ncn(Cc2ccccc2)c1=S,CI,0
N#Cc1c(N2CCCC2)ncn(-c2ccccc2)c1=S,CI,0
CCOC(=O)c1c(N2CCCC2)ncn(-c2ccccc2)c1=S,CI,0
Cn1cnc(N2CCCC2)c(C#N)c1=S,CI,0
CCOC(=O)c1c(N2CCCC2)ncn(C)c1=S,CI,0
N#CC(C(=S)NCc1ccccc1)=C(N)N1CCCC1,CI,0
CCOC(=O)C(C(=S)NCc1ccccc1)=C(N)N1CCCC1,CI,0
N#CC(C(=S)Nc1ccccc1)=C(N)N1CCCC1,CI,0
CCOC(=O)C(C(=S)Nc1ccccc1)=C(N)N1CCCC1,CI,0
N#CC(C(=O)Nc1ccccc1)=C(N)N1CCCC1,CI,0
N#CC(C(=O)Nc1ccc(Cl)cc1)=C(N)N1CCCC1,CI,0
N#CC1=C(N2CCCC2)NC(=O)CC1=O,CI,0
CCOC(=O)C1=C(N2CCCC2)NC(=O)CC1=O,CI,0
O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccc1Cl,CI,0
Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1F,CI,0
O=C1C2=Cc3ccccc3CCN2c2ccc([N+](=O)[O-])cc21,CI,0
O=C1C2=Cc3ccccc3CCN2c2ccccc21,CI,0
O=c1c2ccccc2n2n1Cc1ccccc1C2,CI,0
O=c1c2cc([N+](=O)[O-])ccc2n2n1Cc1ccccc1C2,CI,0
Cn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(O)c2ccccc21,CI,0
C=CCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(O)c2ccccc21,CI,0
CCCCOC(=O)OC1CCC2(C)CC3C=CC2(OO3)C1(C)C,CI,0
CC(=O)OC1CCC2(C)CC3C=CC2(OO3)C1(C)C,CI,0
Sc1ncc2[nH]nnc2n1,CI,0
Nc1nc(S)nc2nn[nH]c12,CI,0
CCN(CC)CCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CM,1
CCN(CC)CCCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,CM,1
CC(=O)OC1C(OC(=O)CC(C)(O)CC(=O)O)CC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C2CCC(C(C)(C)O)OC2O)C1(C)C(O)C3,CI,0
CC(=O)OC1OC(C(C)(C)O)CCC1C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(=O)O)C(OC(C)=O)C(C)(C)C1CC3,CI,0
O=C(O)c1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2C(=O)O)cc1.[NaH],CI,0
O=C(O)c1cccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2C(=O)O)c1.[NaH],CI,0
C=CC(C)C(O)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2,CI,0
C=CC(C)C(O[Si](C)(C)C(C)(C)C)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2,CI,0
COc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1,CI,0
Clc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1,CI,0
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F,CI,0
O=C1c2c(ccc3c2CCC3)CC1Cc1ccc2c(c1)CCC2,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3,CI,0
COc1ccc2[nH]c3c(c2c1)COc1ccccc1C3=O,CI,0
Cc1ccc2c(c1)C(=O)c1[nH]c3ccc(F)cc3c1CO2,CI,0
O=[N+]([O-])c1ccc(C(O)(C#CCN2CCCC2)c2ccccc2)cc1,CI,0
OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1Cl,CI,0
CC(C)=CC(Cc1ccccc1)S(=O)(=O)c1nc2ccccc2s1,CI,0
O=S(=O)(CC(Cl)c1ccccc1)c1nc2ccccc2s1,CI,0
CC(C)N(c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1)C(C)C,CI,0
CCCN(CCC)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1,CI,0
CN1CCN(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)cc43)nc2)CC1,CI,0
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(N3CCN(C)CC3)cn2)CC(C)N1,CI,0
Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C(N(C)O[Si](C)(C)C(C)(C)C)C2[Se]c2ccccc2)c(=O)[nH]c1=O,CI,0
O=c1ccn(C2OC(CO)C(O)C2[Se]c2ccccc2)c(=O)[nH]1,CI,0
O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccccc1,CI,0
O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1,CI,0
Clc1ccc(C(=Cc2ccccc2)Cn2ccnc2)cc1,CI,0
O=[N+]([O-])c1ccc(C(=Cc2ccccc2)Cn2ccnc2)cc1,CI,0
COCn1c(C)c(C)c2c(=O)oc(N(C)C)nc21,CI,0
COCn1c(C)c(C)c2c(=O)oc(C)nc21,CI,0
Cc1sc2nc(N(C)C)oc(=O)c2c1C,CI,0
Cc1nc2sc(C)c(C)c2c(=O)o1,CI,0
CN(C)c1nc2sc3c(c2c(=O)o1)CCCC3,CI,0
Cc1nc2sc3c(c2c(=O)o1)CCCC3,CI,0
COCn1c2ccc(OC(C)=O)cc2c2c(=O)oc(N(C)C)nc21,CI,0
COCn1c2ccc(OC(C)=O)cc2c2c(=O)oc(C)nc21,CI,0
Cc1[nH]c(-c2ccccc2)c2nc(N(C)C)oc(=O)c12,CI,0
Cc1nc2c(-c3ccccc3)[nH]c(C)c2c(=O)o1,CI,0
CC(=O)Oc1ccc2c(c1)c1c(=O)oc(N(C)C)nc1n2Cc1ccccc1,CI,0
CC(=O)Oc1ccc2c(c1)c1c(=O)oc(C)nc1n2Cc1ccccc1,CI,0
CN(CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
OC1CN(OCc2ccccc2)CC(O)C1O,CI,0
CC(=O)OC1CN(OCc2ccccc2)CC(OC(C)=O)C1OC(C)=O,CI,0
COC(=O)C1(SC)C2CCC3C2CCC31,CI,0
CSC1(C(=O)O)C2CCC3C2CCC31,CI,0
Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3ccccn3)[nH]2)c(S)cc1Cl,CM,1
Cc1cc(C(F)(F)F)cc(-n2[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)nc2=N)n1,CI,0
Cc1cc(S(=O)(=O)Nc2nc(-c3ccccn3)n[nH]2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cn3)n[nH]2)c(S)cc1Cl,CM,1
CC1(C#N)N(C(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1,CI,0
N#CC1N(C(=O)c2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1,CI,0
Cc1cnoc1N=C1C=C(O)C(=O)c2ccccc21,CI,0
Cc1noc(N=C2C=C(O)C(=O)c3ccccc32)c1C,CI,0
S=C(NN=Cc1ccccn1)NN=Cc1ccccn1,CI,0
CC(=NNC(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0
O=C(O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2,CI,0
COC(=O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2,CI,0
COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2c1ccccc1,CI,0
COc1cc(C2c3cc(OC)c(OC)c(O)c3C(=O)C3CCC(=O)N32)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(c(O)c3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1OC,CI,0
COc1cc(C2c3cc4c(cc3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1O,CI,0
COc1cc(C2c3cc4c(cc3C(O)C3CCC(=O)N23)OCO4)cc(OC)c1OC,CI,0
COc1ccc(C2c3cc4c(cc3C(O)C3CCC(=O)N23)OCO4)cc1,CI,0
CNc1ncc(-c2nnnn2-c2ccccc2)c(CN(C)C)n1,CI,0
Cc1ncc(-c2nnnn2-c2ccccc2)c(C(=O)O)n1,CI,0
C#CCOCC12C=CC(O1)C1C(=O)OCC12,CI,0
C#CCOCC12C=CC(O1)C1COC(=O)C12,CI,0
O=C(NCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
CN(CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,CI,0
CCCCN(C(=O)c1ccccc1)C1CCC(=O)c2[nH]c3ccccc3c21,CI,0
COCCN(C(=O)c1ccccc1)C1CCC(=O)c2[nH]c3ccccc3c21,CI,0
COc1ccc2c(c1)OCC1c3cc(NC(=O)c4ccccc4)c(OCc4ccccc4)cc3N(S(=O)(=O)c3ccccc3)C21,CI,0
O=C(Nc1cc2c(cc1OCc1ccccc1)N(S(=O)(=O)c1ccccc1)C1c3ccccc3OCC21)c1ccccc1,CI,0
O=[N+]([O-])C(=C(Nc1ccccc1)Sc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
Cc1ccc(NC(Sc2ccccc2)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1,CI,0
Cc1nc(C)c(N2CCN(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c(O)n1,CI,0
Cc1nc(N)c(N2CCN(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c(O)n1,CI,0
CCC(C=Cc1ccccc1)=NNC(=S)NN=C(C=Cc1ccccc1)CC,CI,0
CC(C=Cc1ccccc1)=NNC(=S)NN=C(C)C=Cc1ccccc1,CI,0
COc1cc2c3c(c1)nc(C)n3C(=O)C(c1ccccc1)S2,CI,0
COc1cc2c3c(c1)ncn3C(=O)C(c1ccccc1)S2,CI,0
Nc1ncnc2c1ncn2C1CC1CO,CI,0
OCC1CC1n1cnc2c(O)ncnc21,CI,0
COC(=O)c1c([N+](=O)[O-])ncn1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
NC(=O)c1c(NC=O)ncn1C1OCC(O)C(O)C1O,CI,0
CC(C)CC1C(=O)NCCC(NC(=O)C(Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O,CI,0
CC(C)CC1C(=O)NCCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O.O=C(O)C(F)(F)F,CI,0
NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)C(F)(F)F,CI,0
NC(=O)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(NC(=O)C(Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C1)C(N)=O,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(NC(=O)C(N)Cc2ccc(O)cc2)C1)C(N)=O.Cl,CI,0
CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCC1NC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(N)=O,CI,0
CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCC1NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F,CI,0
CC(OC(C)(C)C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCC2NC(=O)C(Cc2ccccc2)NC1=O,CI,0
CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCC2NC(=O)C(Cc2ccccc2)NC1=O.O=C(O)C(F)(F)F,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)O,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1(C(=O)O)CCCC1,CI,0
COCC1c2cc(O)c(OCc3ccccc3)cc2OC1c1ccc(OC)cc1,CI,0
COc1ccc(C2Oc3cc(OCc4ccccc4)c(O)cc3C2C)c(OC)c1,CI,0
CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NC(C(N)=O)C(C)OCc1ccccc1)C(C)OCc1ccccc1,CM,1
CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NC(C(N)=O)C(C)OCc1ccccc1)C(C)OCc1ccccc1,CI,0
COC(=O)C1(NC(=O)C(Cc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCC1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC1CCC(C(=O)O)C1,CI,0
O=C1OC(c2ccccc2)N(C(=O)c2ccccc2)C1Cc1ccc(OCc2ccccc2)cc1,CI,0
CCOC(=O)CC1(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1,CI,0
CCc1ccc2oc(-c3cc(O)c(-c4nc5cc(CC)ccc5o4)cc3O)nc2c1,CI,0
Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5o4)c(O)c3)oc2c1,CI,0
CC(=O)OCC(C)C1=C(O)C(=O)C2(C)CC=C(C)CCC=C(C)CCC(O)C(C)CCC12,CI,0
CC(=O)OCC(C)C1=C(OC(C)=O)C(=O)C2(C)CC=C(C)CCC=C(C)CCC(OC(C)=O)C(C)CCC12,CI,0
C=C1C(=O)OC2C1CC(O)C(C)=CCCC1(C)OC21,CI,0
C=C1C(=O)OC2C1CC(OC(C)=O)C(C)=CCCC1(C)OC21,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F,CI,0
CC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1,CI,0
CC1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2)S1,CI,0
CC1CN=C(N(C)C(=O)Nc2ccc(Cl)cc2)S1,CI,0
CC1CN=C(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)S1,CI,0
C=C1CN=C(Nc2ccc(F)cc2F)S1,CI,0
C=C1CN=C(Nc2ccc(Cl)cc2)S1,CI,0
Br.S=C=Nc1ccc(CSc2nc3ccccc3[nH]2)cc1,CI,0
Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F,CI,0
Br.CN=C(Nc1cccc(C(F)(F)F)c1)SCc1ccc(N=C=S)cc1,CI,0
Cl.NN=C(Nc1ccccc1)SCc1ccccc1,CI,0
O=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1,CI,0
Cc1ccc2nc(Nc3ccccc3C)c(Nc3ccccc3C)nc2c1,CI,0
c1ccc(N=c2sc3ccccc3nc2Nc2ccccc2)cc1,CI,0
CCOC(=O)c1ccc(N=c2sc3ccccc3nc2Nc2ccc(C(=O)OCC)cc2)cc1,CI,0
c1ccc(N=C2SC(=NNc3ccccc3)SC2=Nc2ccccc2)cc1,CI,0
CN(C)c1ccc(NN=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)S2)cc1,CI,0
COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccc(N(C)C)cc3)C(=S)N2c2ccc(OC)cc2)cc1,CI,0
COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3[N+](=O)[O-])C(=S)N2c2ccc(OC)cc2)cc1,CI,0
COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(S(=O)(=O)c3ccccc3)C(=S)N2c2ccccc2)cc1,CI,0
COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(S(=O)(=O)c3ccccc3)C(=S)N2c2ccc(OC)cc2)cc1,CI,0
CCOC(=O)CCN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=S,CI,0
O=C1NC(=S)N(c2ccccc2)C1=O,CI,0
Cn1c(=Nc2ccc(Cl)cc2)sc2ccccc21,CI,0
Cn1c(=Nc2ccccc2[N+](=O)[O-])sc2ccccc21,CI,0
C1=C(N2CCOCC2)C(=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)CC1,CI,0
Cc1ccc(N=C2SC(=C3CCC=C3N3CCOCC3)N(c3ccc(Cl)cc3)C2=Nc2ccc(C)cc2)cc1,CI,0
S=C(C=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)Nc1ccccc1,CI,0
CCOC(=O)c1ccc(N=C2SC(=CC(=S)Nc3ccccc3)N(c3ccccc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1,CI,0
CCOC(=O)C(C(=O)OCC)=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
N#CC(C#N)=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
CN(C)C(=O)N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc([N+](=O)[O-])cc1,CI,0
CN(C)C(=S)N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc([N+](=O)[O-])cc1,CI,0
O=S(=O)(N=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=NS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
COc1ccc(N2C(=Nc3ccccc3)SC(=NS(=O)(=O)c3ccccc3)C2=NS(=O)(=O)c2ccccc2)cc1,CI,0
O=c1c(=Cc2ccccc2)sc2n1C(c1ccccc1)C1(O)CCCCC1N=2,CI,0
COc1ccc(C=c2sc3n(c2=O)C(c2ccccc2)C2(O)CCCCC2N=3)cc1,CI,0
CCOC(=O)CC(=O)Nc1cccc2sc3ncccc3c(=O)c12,CI,0
Cc1ccnc2sc3ccccc3c(=O)c12,CI,0
COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(C(C)O)C2C(C)=O,CI,0
COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(C(C)O)C2C(C)O,CI,0
NC(=O)OCc1c(-c2ccccc2)nn(-c2ccccc2)c1COC(N)=O,CI,0
ClCc1c(-c2ccccc2)nn(-c2ccccc2)c1CCl,CI,0
COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=NCCNCCN=C2,CM,1
C1=NCCNCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2,CI,0
c1ccc(N=C(Nc2ccccc2)N2CCCCC2)cc1,CI,0
CCN(CC)CCN(C(=Nc1ccccc1)N1CCCCC1)c1ccccc1,CI,0
c1ccc(N=C(Nc2ccccc2)N2CCCC2)cc1,CI,0
CN(C)CCN(C(=Nc1ccccc1)N1CCCC1)c1ccccc1,CI,0
Cl.NC1c2c(Br)sc(Br)c2C(O)C1O,CI,0
Cl.NC1CC(N)c2c(Cl)sc(Cl)c21,CI,0
O=C1CCC2(c3ccc(Cl)cc3)SCCN12,CI,0
COc1ccc(C23CCC(=O)N2CCS3)cc1,CI,0
N=c1ccn(C2CC(F)C(CO)S2)c(=O)[nH]1,CI,0
N=c1ccn(C2SC(CO)CC2F)c(=O)[nH]1,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(S(=O)(=O)O)c6cc(S(=O)(=O)O)ccc56)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)ccc34)n(C)c2)n(C)c1.[NaH],CA,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(P(=O)(O)O)c6cc(P(=O)(O)O)ccc56)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(P(=O)(O)O)c4cc(P(=O)(O)O)ccc34)n(C)c2)n(C)c1.[NaH],CA,1
Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)cc2)nc2n1CCS2,CI,0
Cc1ccc(-c2nc3n(c2C=NNC(=N)N)CCS3)cc1.Cl,CI,0
S=C(NCc1ccccn1)NN=Cc1ccccn1,CI,0
Cc1cccc(C=NNC(=S)NCc2ccccn2)n1,CI,0
CC1(C)OC2Cn3c(c(C#N)c4ccccc43)C2O1,CI,0
COC(=O)c1c2n(c3ccccc13)CC1OC(C)(C)OC21,CI,0
Cc1c(C)n(-c2ccccc2)c2nc(S(C)(=O)=O)nc(S(C)(=O)=O)c12,CI,0
Cc1c(C)n(-c2ccccc2)c2nc(S(C)=O)nc(S(C)=O)c12,CI,0
Cc1ccc(S(=O)CC(CF)OCn2cc(C)c(=O)[nH]c2=O)cc1,CI,0
Cc1cn(COCCS(=O)c2ccccc2)c(=O)[nH]c1=O,CI,0
Cc1ccc(SCC(CF)OCn2cc(F)c(=O)[nH]c2=O)cc1,CI,0
Cc1cn(COCCSc2ccccc2)c(=O)[nH]c1=O,CI,0
O=C1CCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3,CI,0
CCc1cc2c(c3c1CCC3=O)CC1(Cc3ccc(C)cc3C1)C2,CI,0
OC1CCC(O)C2C3SC(c4ccccc43)C12,CI,0
CC(=O)OC1CCC(OC(C)=O)C2C3SC(c4ccccc43)C12,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3=O,CA,1
CC1Oc2c3c(c4ccc(=O)oc4c2C(=O)C1C)OC(C)(C)C=C3,CI,0
COC(=O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCCC3,CI,0
O=C(O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCCC3,CI,0
COC(=O)c1cc(C=C2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2,CI,0
O=C1C(=Cc2ccc3c(c2)CCC3)Cc2cc3c(cc21)CCC3,CI,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O,CI,0
O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O.[KH],CI,0
CCc1cc2c(c3c1CCCC3=O)CC1(Cc3ccc(C(=O)OC)cc3C1)C2,CI,0
O=C1CCCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3,CI,0
O=C(ON=C1c2ccccc2C(Br)C(Br)c2ccccc21)c1ccccc1,CI,0
O=C(ON=C1c2ccccc2C(Br)C(Br)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
O=C(ON=c1c2ccccc2ccc2ccccc12)c1ccccc1,CI,0
O=C(ON=c1c2ccccc2ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
O=C(OCCN=C1c2ccccc2CCc2ccccc21)c1ccccc1,CI,0
O=C(OCCN=C1c2ccccc2CCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
O=C(Nc1ccccc1)OCCN=C1c2ccccc2CCc2ccccc21,CI,0
O=C(Nc1ccccc1)OCCN=C1c2ccccc2C(Br)C(Br)c2ccccc21,CI,0
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC2=NP(=O)(OCC)C(C)(C)N2C)O1,CI,0
CCOP1(=O)N=C(NC2=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O2)N(C)C1(C)C,CI,0
CN=C(N=C1N(C)C(C)(C)P(=O)(O)N1C)NC,CI,0
CNC(N=C1N(C)C(C)(C)P(=O)(O)N1C)NC,CI,0
COC(=O)Cc1cccc2c(=O)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)oc12,CI,0
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1c(-c2ccccc2)oc2ccccc2c1=O,CI,0
Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21,CI,0
Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccc(F)cc21,CI,0
CC[n+]1[b-](C(C)(C)C)n(N=C(C)C(C)(C)C)[b-](C(C)(C)C)[n+]1CC,CI,0
CC[n+]1[b-](C(C)(C)C)n(N=CC(C)(C)C)[b-](C(C)(C)C)[n+]1CC,CI,0
CNC(=O)C1CCCCNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)N1,CI,0
COC(=O)C1CCCCNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)N1,CI,0
CC(C)CC(NC=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.O=C(O)C(F)(F)F,CI,0
CC(C)CC(C(N)=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.O=C(O)C(F)(F)F,CI,0
C=[N+](CNC(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C,CI,0
C=[N+](CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C,CI,0
CC(NC(C#N)CC12CC3CC(CC(C3)C1)C2)c1ccccc1,CI,0
CC(NC(CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1,CI,0
CCC(NC(C)c1ccccc1)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.Cl,CI,0
OCCCN(Cc1ccccc1)CC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1,CI,0
COP(C)(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1,CI,0
COP(=O)(OC)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1,CI,0
CCOP(=O)(OCC)C(Cc1ccc(OC)c(OC)c1)N=C(c1ccccc1)c1ccccc1,CI,0
CCOP(=O)(OCC)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1,CI,0
I.S=C(NNC1=NCCCCN1)Nc1ccc(Cl)cc1,CI,0
I.S=C(NNC1=NCCCCN1)Nc1ccccc1,CI,0
C(C=NNC1=NCCN1)=NNC1=NCCN1.I,CI,0
CN(N=CC=NN(C)C1=NCCN1)C1=NCCN1.I,CI,0
[N-]=[N+]=Nc1c(Cc2ccccc2)c(Cl)nc2ccccc12,CI,0
Oc1nc2ccccc2c(O)c1Cc1ccccc1,CI,0
CCCCP(CCCC)(CCCC)=C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1,CI,0
CCCC[P+](CCCC)(CCCC)C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1.[Cl-],CI,0
COc1cc(C=CC=C2CCCC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0
COc1cc(C=CC=C2CC(C)CC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0
NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCCC1,CI,0
O=C(NC(Cc1c[nH]cn1)C(=O)N1CCCC1)C1CCCC1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O,CI,0
Cl.NCCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O,CI,0
O=Cc1cn(CCCCCCCCCCCCn2cc(C=O)c3ccccc32)c2ccccc12,CI,0
O=[N+]([O-])C=Cc1cn(CCCCCCCCCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12,CI,0
O=Cc1cn(CCCCCn2cc(C=O)c3ccccc32)c2ccccc12,CI,0
O=[N+]([O-])C=Cc1cn(CCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)CCCCC(C)=O)cc1)NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(N)=O,CI,0
CC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(N)=O,CI,0
CC(C)(C)OC(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)O,CM,1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O,CI,0
NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)O,CI,0
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,CI,0
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1.Cl,CI,0
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1,CI,0
CCN(CC)C(=S)NN=C(c1ccccc1)c1ccccn1,CI,0
CCNC(=S)NN=C(c1ccccc1)c1ccccn1,CI,0
O=c1[nH]c(=O)n(COCCO)cc1-c1ccccc1,CI,0
O=c1[nH]c(=O)n(COC(CO)CO)cc1-c1ccccc1,CI,0
C=C1CC(c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2)OC1=O,CI,0
C=C1CC(c2ccc(OCCCN3C(=O)c4ccccc4C3=O)c(OC)c2)OC1=O,CI,0
O=C1CC2(CC(O)CO)CC(O1)C(I)CC21OCCO1,CI,0
O=CCC12CC(=O)OC(C1)C(I)CC21OCCO1,CI,0
COC(=O)c1ccc(COC(=O)N2C=CCC2C(=O)O)cc1,CI,0
COC(=O)C1CC(C=[N+](C)C)=C(SC)N1C(=O)OCc1ccccc1.[I-],CI,0
CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1,CI,0
CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NCC(=O)OCc1ccccc1)C(C)C,CI,0
CC(=NNC(=S)NCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0
CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0
CCOC(=O)N1CC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O1,CI,0
Cc1cn(C2CC3ONCC3O2)c(=O)[nH]c1=O,CI,0
CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3cccs3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1cccs1,CI,0
c1ccc(-c2sc(-c3ccccc3)c3c2C2CCC3C2)cc1,CI,0
Cc1ccc(-c2sc(-c3ccc(C)cc3)c3c2C2CCC3C2)cc1,CI,0
CC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1,CI,0
CC(=O)OCC1OC(n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1c(-c2ccco2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2,CI,0
CC(C)n1c(=O)c2nn3c(=O)n(C(C)C)c(=O)c3nn2c1=O,CI,0
CCCn1c(=O)c2nn3c(=O)n(CCC)c(=O)c3nn2c1=O,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Oc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1Oc1ccccc1,CI,0
O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1c1cccc2ccccc12,CI,0
COc1cccc2c1OC(c1cccc3ccccc13)C([N+](=O)[O-])=C2,CI,0
S=C1Nc2ccccc2SC1c1ccccc1,CI,0
CN1C(=S)C(c2ccccc2)Sc2ccccc21,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c(C#N)c2N)cc1,CI,0
CCOC=Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1,CI,0
CCOC(=O)CC1c2ccc(O)cc2OC(=O)C1c1ccc(N)cc1,CI,0
CCOC(=O)CC1c2ccc(O)cc2OC(=O)C1c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(S)nc(S)c23)cc1OC,CI,0
COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(SC)nc(SC)c23)cc1OC,CI,0
Nc1nc(SCC(=O)c2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3,CI,0
COc1ccc(-c2c3c(nc4nc(SCC(=O)c5ccc(Br)cc5)nc(N)c24)CCCC3)cc1OC,CI,0
Nc1nc(SCCc2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3,CI,0
COc1ccc(-c2c3c(nc4nc(SCCc5ccccc5)nc(N)c24)CCCC3)cc1OC,CI,0
N#Cc1c(NC(=S)NC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCCC2,CI,0
COc1ccc(-c2c(C#N)c(NC(=S)NC(=O)c3ccccc3)nc3c2CCCC3)cc1OC,CI,0
Cc1cc2occ(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(=O)o1,CI,0
Cc1cc2oc(C)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(=O)o1,CI,0
C=C1C(=O)OC2C1C(OC(=O)C(C)(O)C(C)OC(C)=O)C=C(C)C1CC(OC(C)=O)C(=C)C12,CI,0
C=C1C(=O)OC2C1C(OC(=O)C(C)(OC(C)=O)C(C)OC(C)=O)C=C(C)C1CC(OC(C)=O)C(=C)C12,CI,0
CC12CC3CCC(=NO)C(C1)C3(N1CCOCC1)CC2=NO,CI,0
C=C(C)C12CC3CCC(=NO)C(C1)C3(N1CCOCC1)CC2=NO,CI,0
CC1C2CC3(c4ccccc4)CC(C2=NO)C(=NO)C1C3(C)O,CI,0
CC1(O)C2CC3CC1(c1ccccc1)CC(C3=NO)C2=NO,CI,0
N#CCCC1(CCC#N)CCCCCCC(CCC#N)(CCC#N)C(=O)C1=O,CI,0
COC(=O)CCC1(CCC(=O)OC)CCCCCCC(CCC(=O)OC)(CCC(=O)OC)C(=O)C1=O,CI,0
CCOP(=O)(C=C=C1CCC2C3CCc4cc(OC)ccc4C3CCC12C)OCC,CI,0
COc1ccc2c(c1)CCC1C2CCC2(C)C(=C=CP(=O)(O)O)CCC12,CI,0
CC1(C)OP(=O)(O)C=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CCOP1(=O)C=C(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1,CI,0
CC(C)(C)C1=C(Br)C(C(C)(C)C)OP1(=O)O,CI,0
COC1(C(C)(C)C)C=C(C(C)(C)C)P(=O)(O)O1,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCCCc1ccccc1,CI,0
COc1cc(CCCOC(=O)C=Cc2ccc(O)c(O)c2)cc(O)c1O,CI,0
O=C(CCc1ccc(O)c(O)c1)OCCc1ccccc1,CI,0
O=C(CCc1cc(O)ccc1O)OCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncncc12,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2ncncc12,CI,0
CC1=C2CC(C)(C)CC(=O)C2(C)CCC1=O,CI,0
C=CCC12CCC(=O)C=C1CCCC2=O,CI,0
CC12CCCC(O)C1(C)CCC2=O,CI,0
C=CC1(O)CCCC2(C)C(=O)CCC12C,CI,0
CC1(C)c2ccccc2C(O)C12CCC(=O)CC2,CI,0
O=C1CCC2(CC1)Cc1ccccc1C2O,CI,0
COC(=O)C1CC2(CCC1=O)Cc1ccccc1C2=O,CI,0
CC1(C)c2ccccc2C(=O)C12CCC(=O)CC2,CI,0
Cc1ccc(S(=O)(=O)NN=C2C(C)(C)CC2(C)C)cc1,CI,0
CCC1(CC)CC(=NNS(=O)(=O)c2ccc(C)cc2)C1,CI,0
COC(=O)C1(C(=O)OC)CC(C)=C(C)SCCCS1,CI,0
CCOC(=O)C1CC(C)=C(C)SCCCS1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2CN(C)C)cc1,CI,0
O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1-c1ccccc1,CI,0
O=c1c2ccccc2n2c(-c3ccc(O)cc3)nnc2n1-c1ccccc1,CI,0
CCc1c(-c2ccccc2)nc(S)c(C#N)c1C,CI,0
CCOP(=O)(OCC)c1c(C(=O)OC)cc(O)nc1-c1ccc(C)cc1,CI,0
CCc1cc(-c2cccc3ccccc23)c(C#N)c(S)n1,CI,0
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1cccc2ccccc12,CI,0
Oc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1-c1ccccc1,CM,1
Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1-c1ccccc1,CI,0
O=C(OCCc1ccccc1)c1ccc2c(O)c(O)ccc2c1,CI,0
O=C(OCCc1ccccc1)c1ccc2cc(O)c(O)cc2c1,CM,1
O=C(OCCc1ccccc1)c1cc2cc(O)c(O)cc2cn1,CI,0
O=C(OCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1.O=S(=O)(O)O,CI,0
NC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2,CI,0
CN(C)CCCOC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2.O=C(O)C(=O)O,CI,0
CC1(C)CC(=O)c2c(nc(S)c(C#N)c2-c2ccc(Br)cc2)C1,CI,0
COc1ccc(-c2c(C#N)c(S)nc3c2C(=O)CC(C)(C)C3)cc1,CI,0
CC=C(C)C(=O)OC(CC(C)C1CC(c2ccoc2)OC1=O)C1(C)C(=O)CCC2OC21C,CI,0
CC(CCC1(C)C(=O)CCC2OC21C)C1CC(c2ccoc2)OC1=O,CI,0
CC(=NNC(=S)NC1CCCCC1)c1ccccn1,CI,0
Cc1cccc(C=NNC(=S)NC2CCCCC2)n1,CI,0
C=CCn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S,CM,1
Nn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S,CI,0
O=C(NNC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(NNC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,CI,0
NC(=O)CNC(=O)C1CC(O)CN1C(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
NC(=O)CNC(=O)C1CC(OCCC(=O)O)CN1C(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCOCC1)C2=O)c1ccc(F)cc1,CI,0
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCOCC1)C2=O)c1ccccc1,CI,0
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCCCCC1)C2=O)c1ccc(F)cc1,CI,0
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCCCCC1)C2=O)c1ccccc1,CI,0
C=C(CN(CC)CC)C1(c2ccccc2)CC2(CCCC2)C(=O)O1,CI,0
C=C(CN(C)C)C1(c2ccccc2)CC2(CCCC2)C(=O)O1,CI,0
CN(C)CCCOC(=O)C(O)(Cc1ccccc1)C1CC1,CI,0
CC1(CCc2ccccc2)CC1(Br)Br,CI,0
CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2ccccc2)CC1.O=C(O)C(=O)O,CI,0
CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.Cl,CI,0
O=S1(=O)c2ccccc2N2CCCc3cc(Cl)cc1c32,CI,0
Cc1cc2c3c(c1)S(=O)(=O)c1cc(Cl)ccc1N3CCC2,CI,0
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OC(CO)C(O)C(O)C1O,CI,0
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OCC(O)C(O)C1O,CI,0
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1,CI,0
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OCC(O)C(O)C2O)cc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)=C(C#N)c1ccc([N+](=O)[O-])cc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(O)=C(C#N)c1c(F)c(F)c(F)c(F)c1F,CI,0
O=C1C(=Cc2cccc3ccccc23)Cc2ccccc21,CI,0
COc1ccc2c(c1)CC(=Cc1cccc3ccccc13)C2=O,CI,0
Brc1ccc(CCNCCN2CCCCC2)cc1.Cl,CI,0
Br.CN(CCc1ccc(Br)cc1)CCN1CCCCC1,CI,0
CN(C)CCCc1cccc2[nH]c3c(c12)CN(C)CC3.Cl,CI,0
Cl.Fc1ccc2c3c([nH]c2c1)CCNC3,CI,0
O=C1NC2(CCNCC2)Oc2ccccc21,CI,0
C=CCN1CCC2(CC1)NC(=O)c1ccccc1O2,CI,0
COc1ccc(C2C3=C(CCCC3=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1,CI,0
COc1cc(C2C3=C(CCCC3=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c([N+](=O)[O-])cc1OC,CI,0
O=[N+]([O-])C(=C1NCCN1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(=C1NCCN1)C(Cl)=C(Cl)Br,CI,0
O=[N+]([O-])C(=C1Nc2ccccc2O1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(Cl)=CC(=C1Nc2ccccc2O1)[N+](=O)[O-],CI,0
COc1ccccc1N1C(=O)C2C3c4ccccc4C(OC(C)=O)(c4ccccc43)C2C1=O,CI,0
CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccccc3O)C(=O)C12,CM,1
Cl.O=C(CCCN1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1,CI,0
O=C(CCCN1CCC(Nc2ccc(F)cc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1,CI,0
C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,CA,1
C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C=CC(CC)C(C)C)CCC32)C1,CA,1
Nc1ncnc2c1nnn2C1C=CC(CP(=O)(O)O)C1,CI,0
Nc1ncnc2c1nnn2C1C=CC(COS(N)(=O)=O)C1,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)n(C)c2)n(C)c1.[NaH],CA,1
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(P(=O)(O)O)c6cccc(P(=O)(O)O)c6c5)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(P(=O)(O)O)c4cccc(P(=O)(O)O)c4c3)n(C)c2)n(C)c1.[NaH],CA,1
Cc1nc2ccc(Cl)cc2c2c1CCN2c1ccc(F)cc1,CI,0
Cc1nc2ccc(F)cc2c2c1CCN2c1ccc(Cl)cc1,CI,0
Cc1nc2ccc(Cl)cc2c2c1CCS2,CI,0
COc1cc(OC)c2nc(C)c3c(c2c1)SCC3,CI,0
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CI,0
CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21,CI,0
CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)C2c1ccccc1[N+](=O)[O-],CI,0
CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)C2c1ccccc1Cl,CI,0
CC(Cc1ccccc1)NC1=NCCO1,CI,0
CC(C)(Cc1ccccc1)NC1=NCCO1,CI,0
c1cc2c(c(NC3=NCCO3)c1)CCC2,CI,0
Cc1ccc(NC2=NCCO2)c2c1CCC2,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCOc3ccccc3)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCOc3ccc(I)cc3)O2)c(=O)[nH]c1=O,CA,1
COc1ccc2c3c1OC1C4(OC)CCC5(CC4C(C)=O)C(C2)N(C)CCC315.Cl,CI,0
COc1ccc2c3c1OC1C4(OC)CCC5(CC4C(C)(C)O)C(C2)N(C)CCC315,CI,0
CC(NC1=NCCO1)c1cccs1,CI,0
CCC(NC1=NCCO1)c1cccs1,CI,0
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=O)O,CI,0
CC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=O)O,CI,0
CCN(CCCl)c1cc(C(=O)NCCCN(C)CCCNC(=O)c2cc(N(CC)CCCl)c([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-].Cl,CI,0
CNC(=O)OCc1cc(C(=O)NCCCNCCCNC(=O)c2ccc([N+](=O)[O-])c(COC(=O)NC)c2)ccc1[N+](=O)[O-].Cl,CI,0
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C12CC3CC(CC(C3)C1)C2,CI,0
Cn1c(SCc2ccc(F)cc2)nnc1C12CC3CC(CC(C3)C1)C2,CI,0
CCOC(=O)c1cc2nc3ccccc3c(=O)n2c2ccccc12,CI,0
CNC(=O)c1cc2nc3ccccc3c(=O)n2c2ccccc12,CI,0
O=[N+]([O-])c1ccc(CSC2=C(c3ccc(Cl)cc3)SC(=C3SC(SCc4ccc([N+](=O)[O-])cc4)=C(c4ccc(Cl)cc4)S3)S2)cc1,CI,0
N#Cc1ccc(CSC2=C(c3ccc(Cl)cc3)SC(=C3SC(SCc4ccc(C#N)cc4)=C(c4ccc(Cl)cc4)S3)S2)cc1,CI,0
CC(=O)N(C)n1cn[n+](CC(=O)OC(C)(C)C)c1.[Br-],CI,0
CSc1n(N)cn[n+]1CC(=O)OC(C)(C)C.[I-],CI,0
COc1cc(N2C(=O)C(=O)C3(CCCCC3)C2=O)cc(OC)c1OC,CI,0
COc1ccc(N2C(=O)C(=O)C3(CCCCC3)C2=O)c(OC)c1OC,CI,0
COC1(OC)CCCc2c1no[n+]2[O-],CI,0
COC1(OC)c2no[n+]([O-])c2CCC1O,CI,0
CN(C)C=Nc1ccc2nonc2c1,CI,0
CN(C)C=Nc1c(Br)cc(Br)c2nonc12,CI,0
CC(=O)O.ON=C1CCCCCC1NO,CI,0
C=CCCC1CCCCCC1=NN(C)C,CI,0
CC1(C)N=C([C-](Cl)[N+](=O)C(=O)c2ccc(F)cc2)C(C)(C)N1O,CI,0
CC1(C)N=C([C-](C#N)[N+](=O)C(=O)c2ccccc2)C(C)(C)N1O,CI,0
CCC1(O)N=C(c2ccccc2)c2ccccc2-n2cccc21,CI,0
CCOC(=O)C1(O)N=C(c2ccccc2)c2ccccc2-n2cccc21,CI,0
CCc1ccccc1C(C(=O)NC1CN2CCC1CC2)c1ccsc1,CI,0
COc1ccccc1C(C(=O)NC1CN2CCC1CC2)c1ccsc1,CI,0
O=C1C(C(c2ccccc2)N2CCOCC2)=C(O)C(c2ccccc2)N1c1ccccc1,CI,0
O=C1C(C(c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)C(c2ccccc2)N1c1ccccc1,CI,0
COc1ccc(C=C2C(=O)C(c3ccccc3)N(c3ccccc3)C2=O)cc1OC,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C1c1ccccc1,CM,1
COc1ccc2c(c1)C(=O)C(Nc1ccc(C=O)cc1)(OC)C(OC)(c1ccc([N+](=O)[O-])cc1)O2,CI,0
COC1(Nc2ccc(C=O)cc2)C(=O)c2ccccc2OC1(OC)c1ccc([N+](=O)[O-])cc1,CI,0
O=Cc1cn(CCCCCCCCn2cc(C=O)c3ccccc32)c2ccccc12,CI,0
O=[N+]([O-])C=Cc1cn(CCCCCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1,CI,0
C=C(O)c1ccccc1C#Cc1ccccc1C(=O)OC,CI,0
COC(=O)c1cccc(OC)c1C#Cc1c(OC)cccc1OC,CI,0
Cc1nc2[nH]ncn2c(=O)c1CCO,CI,0
Cc1nc2[nH]ncn2c(=O)c1CCCl,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CCC(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O,CM,1
Cc1nc2cccc(F)c2c(=O)n1-c1nnc(C(F)(F)F)s1,CI,0
Cc1nc2ccc(Br)cc2c(=O)n1-c1nnc(C(C)(C)C)s1,CI,0
O=C(C=C(Nc1ccccc1O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
COc1ccccc1NC(=CC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1,CI,0
Cc1cn(C2CC(Sc3ccccc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(CC#N)Sc1ccccc1,CI,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(OC)n(C)c2=O)N1,CI,0
CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(SC)n(C)c2=O)N1,CI,0
Cc1cccc2c1c(=O)c1c(O)c3c(cc1n2C)OC(C)(C)C=C3,CI,0
Cc1ccc2c(=O)c3c(O)c4c(cc3n(C)c2c1)OC(C)(C)C=C4,CI,0
Cc1cccc2[nH]c3c(c(O)cc4[nH]c5cccc(C)c5c(=O)c43)c(=O)c12,CI,0
COc1c(C)c2c(c(=O)c3c(C)cccc3n2C)c2c1c(=O)c1c(C)cccc1n2C,CI,0
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCCC1)O3,CI,0
COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCCC1)O2,CI,0
O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCOCC3)c21,CI,0
Cl.NC1c2c(Br)sc(N3CCOCC3)c2C(=O)C1O,CI,0
O=C(O)CNC(=O)C(CSC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[NaH],CI,0
COC(=O)CNC(=O)C(CSC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC,CI,0
C=CC1(O[Si](C)(C)C)CC2(C(=O)OCC)C(O)C(=O)N3CCc4cc(OC)c(OC)cc4C312,CI,0
CCOC(=O)C12CC(C=COC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2O,CI,0
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1coc2ccccc2c1=O,CI,0
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1coc2cc(F)ccc2c1=O,CI,0
CC1(C)CC(=O)c2c(nc(SSc3nc4c(c(-c5ccc(Br)cc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccc(Br)cc2)C1,CM,1
CC1(C)CC(=O)c2c(nc(SSc3nc4c(c(-c5ccccc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccccc2)C1,CI,0
O=c1c2cc3c(cc2[nH]c2ncccc12)OCO3,CI,0
CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCO3.Cl,CI,0
O=c1c2cccnc2[nH]c2ccc3cn[nH]c3c12,CI,0
CCN(CC)CCn1ncc2ccc3c(c(=O)c4cccnc4n3CCN(CC)CC)c21.Cl,CI,0
O=c1c2cccnc2[nH]c2ccc3[nH]ncc3c12,CI,0
CCN(CC)CCn1ncc2c3c(=O)c4cccnc4n(CCN(CC)CC)c3ccc21,CI,0
CC1(C)C(=O)N(O)C(C)(C)N1N=O,CI,0
CC1(C)C(=O)N(O)C(C)(C)N1O,CI,0
CC1=C2CN(C(=O)OCC(C)C)CCC2C2=C(C(=O)c3ccccc3C2=O)C1C,CI,0
CCOC(=O)N1CCC2C(=C(C)C(C)C3=C2C(=O)c2ccccc2C3=O)C1,CI,0
CC(=O)OC1C(CN2CCOC2=O)OC(n2cc(C)c(=O)[nH]c2=O)C1OC(C)=O,CI,0
CC(=O)OC1C(CN2CCOC2=O)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O,CI,0
COC(=O)CSc1[nH]c2nc(C)nc(Nc3ccccc3)c2c1C#N,CI,0
CCOC(=O)c1[nH]c2nc(SC)nc(Nc3ccccc3Cl)c2c1N,CI,0
Br.CN(C)c1nc(=NCc2ccccc2)ss1,CI,0
Br.COc1cc(CN=c2nc(N(C)C)ss2)cc(OC)c1OC,CI,0
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3CCOCC3)n2)c(SCC(=O)O)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3CCOCC3)n2)c(S)cc1Cl,CM,1
CC1=NN(c2nc(N)nc(CSc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)C(C)(C)C1,CI,0
CC1=NN(c2nc(N)nc(C(C)Sc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)C(C)(C)C1,CI,0
CCCCn1cnnc1NS(=O)(=O)c1cc(C)c(Cl)cc1SCC(=O)O,CI,0
CC(C)Cn1cnnc1NS(=O)(=O)c1cc(C(=O)NN)c(Cl)cc1S,CI,0
Cc1ncc([N+](=O)[O-])n1CCNCCCCn1ccnc1[N+](=O)[O-].Cl,CI,0
Cc1ncc([N+](=O)[O-])n1CCN(C)CCCCn1ccnc1[N+](=O)[O-],CI,0
Cl.O=[N+]([O-])c1nccn1CCCNCCCn1ccnc1[N+](=O)[O-],CI,0
CN(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-].O=S(=O)(O)O,CI,0
Fc1ccc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)cc1,CI,0
Clc1cccc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)c1,CI,0
O=C(O)C[n+]1cn(NC(=O)Cc2ccccc2)cn1.[BrH2+],CI,0
CN(C(=O)Cc1ccccc1)n1cn[n+](CC(=O)OC(C)(C)C)c1.[Br-],CI,0
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCC1)O3,CM,1
COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCC1)O2,CI,0
CC(N)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O,CI,0
Cc1nc(-n2[nH]c(C)c(CCO)c2=O)nc(O)c1CCO,CI,0
Cc1[nH]n(-c2nc(O)c(C)c(O)n2)c(=O)c1CCO,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)C(c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)C(c1ccc(OC)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C(NC(C)=O)C(c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C(NC(C)=O)C(c1ccc(OC)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
N#CC(=Cn1c(=S)[nH]c2ccccc21)c1nc2ccccc2s1,CI,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1,CI,0
O=C1c2cccnc2-c2nccc3c2c1nc1cc(Br)ccc13,CI,0
O=C1c2c(O)ccnc2-c2nccc3c2c1nc1ccccc13,CI,0
NC(=O)NN=C1Cc2ccccc2C1,CI,0
NC(=S)NN=C1Cc2ccccc2C1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S,CI,0
CC1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S,CI,0
COc1ccccc1NC(=S)NC=C(C#N)c1nc2ccccc2s1,CI,0
N#CC(=CNC(=S)Nc1cc(Cl)ccc1Cl)c1nc2ccccc2s1,CI,0
N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S,CI,0
CC(=S)NC=C1C(=N)NN(c2ccccc2)C1=O,CI,0
COc1cc(C=C2SC(=S)N(C=C(C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC,CI,0
COc1ccc(C=C2SC(=S)N(C=C(C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC,CI,0
N#CC(=CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1,CI,0
N#CC(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)c1nc2ccccc2s1,CI,0
COc1cc(C=C2SC(=S)N(C=C3C(=O)C=C(C)OC3=O)C2=O)cc(OC)c1OC,CI,0
CC1=CC(=O)C(=CN2C(=O)C(=Cc3cccc(O)c3)SC2=S)C(=O)O1,CI,0
O=C(CC(=O)Nc1ccccc1Cl)NNC(c1cc(N=Nc2ccc(Br)cc2)ccc1O)P(O)O,CI,0
O=C(CC(=O)Nc1ccccc1)NNC(c1cc(N=Nc2ccc(Br)cc2)ccc1O)P(O)O,CI,0
Oc1nc2ccccc2nc1C=CNC(=S)Nc1ccccc1,CI,0
Oc1nc2ccccc2nc1C=CNC(=S)Nc1cc(Cl)ccc1Cl,CI,0
N#Cc1c(O)c(N=Nc2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12,CI,0
N#Cc1c(O)c(N=Nc2ccccc2F)c(=O)n2c1[nH]c1ccccc12,CI,0
CCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
CCCCCCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
CSC1NC(c2ccccc2)=C(C#N)C(=O)N1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CSC1NC(c2ccc(Cl)cc2)=C(C#N)C(=O)N1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=C(O)C1C(OCc2ccccc2)C(OCc2ccccc2)CN1C(=O)OCc1ccccc1,CI,0
O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C1CO,CI,0
CC1(C)OC2C(=O)OC(CO)C2O1,CI,0
CC1(C)OC2COC(=O)C2O1,CI,0
Cc1nnc(Nc2ccc(Cl)cc2)o1,CI,0
Cc1nnc(Nc2ccccc2)o1,CI,0
c1ccc2c(Nc3ncco3)cccc2c1,CI,0
Nc1cnc(Nc2cccc3ccccc23)o1,CI,0
FC(F)(F)c1nc2ccc(SSc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1,CI,0
FC(F)(F)c1nc2cc(Cl)c(SSc3cc4[nH]c(C(F)(F)F)nc4cc3Cl)cc2[nH]1,CI,0
CCCCc1c2c(nc3c1CCCC3O)CCCC2,CI,0
CCOC(=O)c1c2c(nc3c1CCCC3)CCCC2,CI,0
N#Cc1nc(-c2ccco2)oc1N,CI,0
CC(=O)OCc1ccc(-c2nc(C#N)c(N)o2)o1,CI,0
CC1CC(=O)Nc2ccccc2N1C(=O)C1CC1,CI,0
CC1CC(=O)Nc2cc(Cl)ccc2N1C(=O)C1CC1,CI,0
c1ccc(C2=C3c4ccccc4C4=[N+]3[Zn-2]35[N+]6=C(C(c7ccccc7)=C7c8ccccc8C(=C4c4ccccc4)[NH+]73)c3ccccc3C6=C(c3ccccc3)C3=c4ccccc4=C2[NH+]35)cc1,CI,0
COc1ccc(C2=C3c4ccccc4C4=[N+]3[Zn-2]35[N+]6=C(C(c7ccc(OC)cc7)=C7c8ccccc8C(=C4c4ccc(OC)cc4)[NH+]73)c3ccccc3C6=C(c3ccc(OC)cc3)C3=c4ccccc4=C2[NH+]35)cc1,CI,0
COc1ccc(-n2cnn3c(=O)c4cn[nH]c4nc23)cc1,CI,0
CCn1ncc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc21,CI,0
O=C(NNc1ccnc2cc(Cl)ccc12)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
CN(NC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccnc2cc(Cl)ccc12,CI,0
CC1(C)CC(=O)C(=CNC(=S)NCCc2ccccc2)C(=O)C1,CI,0
COc1ccc(CCNC(=S)NC=C2C(=O)CC(C)(C)CC2=O)cc1OC,CI,0
CCn1nc(C)c2c1C(=O)NCC(=O)N2,CI,0
CCn1nc(C)c2c1C(=O)NC(C)C(=O)N2,CI,0
CSc1nc(=O)c(C#N)c(-c2ccccc2)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(-c2c(C#N)c(=O)nc(SC)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0
CN(NC(=O)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl,CI,0
CN(NC(=O)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1)c1cnnc(O)c1Cl,CI,0
CC12c3ccc4c(c3C(=O)c3occ(c31)C(O)CC2O)CCC4=O,CI,0
COC1C(O)c2coc3c2C(C)(c2ccc4c(c2C3=O)CCC4=O)C1O,CI,0
CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
COc1nc(O)cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
Cc1c2c(n3c(nc4ccccc43)c1C#N)NCC2,CI,0
CCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c21,CI,0
CC1=C(C)SC(=C2Sc3c(n(C)c(=O)[nH]c3=O)S2)S1,CI,0
CC1=C(C)SC(=C2Sc3c(n(C)c(=O)n(C)c3=O)S2)S1,CI,0
COC12C=CC(CC1)C(C)(C)C2=O,CI,0
COC(=O)C1=C(C(=O)OC)C2CCC1CC2=O,CI,0
COC12C=CC(CC1)C(C)(C)C2O,CI,0
COC12C=CC(CC1)C(C)(C)C2OS(C)(=O)=O,CI,0
COc1ccc(C(Nc2ccccc2)=C(CCl)c2ccccc2)cc1OC.Cl,CI,0
COc1ccc(C(CCl)=C(Nc2ccccc2)c2ccc(OC)c(OC)c2)cc1OC.Cl,CI,0
CC1=C(c2ccccc2)NC(=S)C(C)C(c2ccccc2)=N1,CI,0
CC1=C(c2ccc(C)cc2)NC(=S)C(C)C(c2ccc(C)cc2)=N1,CI,0
Cl.O=C1Oc2ccccc2C(=O)C1=CNc1nc(-c2ccccc2)cs1,CI,0
Cl.O=C1Oc2ccccc2C(=O)C1=CNc1nc(-c2ccc(O)c(O)c2)cs1,CI,0
NC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(N)=O,CI,0
N#CC(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(N)=O,CI,0
N#CC(C#N)=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CI,0
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CI,0
Cc1ccc(NC(=O)C(CC(=O)c2sc(Nc3ccccc3Cl)nc2C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1,CI,0
Cc1ccc(NC(=O)C(CC(=O)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1,CI,0
COC(=O)c1cc(C(=O)OC)c(CC(=NNC(N)=S)C(=O)Nc2ccc(Cl)c(Cl)c2)nc1CC(=NNC(N)=S)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0
COC(=O)c1cc(C(=O)OC)c(CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)nc1CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1.[Cl-],CI,0
O=C(c1ccccc1)N1OCCC1Nc1ccc(Br)cc1,CI,0
CC1CC(Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1,CI,0
CC(=O)N1C(OC(C)C)CC(C)N1c1ccccc1,CI,0
CC(=O)N1C(NN(C)C)CCN1c1ccccc1,CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2ccccc2)C(=O)[OH+]1.[Cl-],CM,1
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2ccc(O)cc2)C(=O)[OH+]1.[Cl-],CI,0
c1ccc(N=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1,CI,0
Cc1ccc(N=C2SC(c3ccc(C)cc3)(c3ccc(C)cc3)c3ccccc32)cc1,CI,0
CCOC(=O)c1cn(CC)c2ccc3ccsc3c2c1=O,CI,0
CCCCn1cc(C(=O)O)c(=O)c2c3sccc3ccc21,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccco1)SC(=N)N2,CM,1
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccco1)SC(=N)N2,CI,0
CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C,CI,0
CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CC(O)C12C,CI,0
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C,CI,0
CC(CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C)C(=O)O,CI,0
O=S(=O)(N=S(Nc1ccccc1)C(Cl)Cl)c1ccccc1,CI,0
O=S(=O)(N=S(Nc1ccccc1)C(F)(F)Cl)c1ccccc1,CI,0
O=C(NS(=NS(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1,CI,0
CCOC(=O)C(Cl)(Cl)S(=NS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1,CI,0
CC1(C)C2CC(=O)C1(C)C(OCc1ccccc1)C2Br,CI,0
CC1(C)C2CC(=O)C1(C)C(OCc1ccccc1)C2,CI,0
CN1C2CC(C#N)C1C=CC2=O,CI,0
CN1C2C=CC(=O)C1C(C#N)C2,CI,0
O=C1CC2C=CC(O)C(C1)C2,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2CC(=O)CC1C2(C)C,CI,0
C[n+]1c(-c2ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5cc(Cl)ccc5[n+]4C)cc3)cc2)cn2cc(Cl)ccc21.Cl.[Cl-],CM,1
Cc1ccc2n(c1)cc(-c1ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5cc(C)ccc5[n+]4C)cc3)cc1)[n+]2C.Cl.[Cl-],CM,1
O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)cc1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccccc1,CI,0
O=C(C=Cc1ccsc1)c1ccc(Cl)s1,CI,0
O=C(C=Cc1ccsc1)c1cccs1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccc(Br)cc1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccccc1,CI,0
O=C(Cc1csc(NN=C2C(=O)Nc3ccccc32)n1)Nc1ccccc1,CI,0
Cc1ccccc1NC(=O)Cc1csc(NN=C2C(=O)Nc3ccccc32)n1,CI,0
NC(=S)NN=C1C(=O)C=C(Nc2ccc(Cl)cc2Cl)c2ccccc21,CM,1
O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=NO,CI,0
CC1=C(C(=O)NNC(=O)c2ccccc2)CC(C(=O)NNC(=O)c2ccccc2)=C(C)N1,CI,0
CC1=C(C(=O)NNC(=O)c2ccccc2O)CC(C(=O)NNC(=O)c2ccccc2O)=C(C)N1,CI,0
CC1=CC(=O)C(=CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C(=O)O1,CI,0
CC1=CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)O1,CI,0
Oc1ccc(-c2csc(NNC3=NCC(=Cc4ccc5c(c4)OCO5)S3)n2)cc1O,CI,0
O=[N+]([O-])c1cccc(-c2csc(NNC3=NCC(=Cc4ccc5c(c4)OCO5)S3)n2)c1,CI,0
Cc1cccc(C)c1NC(=S)NC=C1C(=O)c2ccccc2C1=O,CI,0
NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1Oc2ccccc2C(=O)C1=CNC(=S)Nc1ccccc1,CI,0
NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)Oc3ccccc3C2=O)cc1,CI,0
CC(=O)CCn1c(=S)sc2ccccc21,CI,0
C=CCN(CC=C)Cn1c(=S)sc2ccccc21,CI,0
COC(=O)CCC(C)C1CCC2(C)c3ccc4c(c3C(=O)CC12C)CCC(OC(C)=O)C4(C)C,CI,0
CC(=O)OC1CCc2c(cc(N)c3c2C(=O)CC2(C)C(C(C)CCCC(C)C)CCC32C)C1(C)C,CI,0
CC1CC2C(=O)OCC(NC(=O)C(Cc3ccccc3)NC(=O)C=CC=CC=CC=CC=CC(=O)NC3=C(O)CCC3=O)C(=O)N3CCCC3C(=O)N(C)C(C)C(=O)NC(C)C(=O)N2C1,CM,1
CC1NC(=O)C(C)N(C)C(=O)C2CCCN2C(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C=CC=CC=CC=CC=CC(=O)NC2=C(O)CCC2=O)COC(=O)C2CCCN2C1=O,CI,0
Oc1nnc(O)c2c1ccc1oc3ccccc3c12,CI,0
COc1ccc2oc3c(C)cc4c(OC)nnc(OC)c4c3c2c1,CI,0
COc1ccc2cc(C(C)C(=O)N3CCOC3=O)ccc2c1,CI,0
COc1ccc2cc(C(C)C(=O)N3C(=O)OCC3(C)C)ccc2c1,CI,0
Cc1cn(C2CN(O)CC(CO)O2)c(=O)[nH]c1=O,CI,0
CC(=O)OCC1CN(OC(C)=O)CC(n2cc(C)c(=O)[nH]c2=O)O1,CI,0
CCCN(CCC)C1=Nc2ccccc2-n2cnnc2C1,CI,0
CCCCN(CCCC)C1=Nc2ccccc2-n2c(nnc2C(=O)OCC)C1,CI,0
CN(CCN(C)C(=O)CCn1ccc(=O)[nH]c1=O)C(=O)CCn1ccc(=O)[nH]c1=O,CI,0
CN(CCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O)C(=O)CCn1cc(F)c(=O)[nH]c1=O,CI,0
COC(=O)C1=C(C)C(=O)C2C(C(=O)OC)CCCCC12,CI,0
CCC1=C(C(C)=O)C2CCCCC(C(=O)OC)C2C1=O,CI,0
COC(=O)C1CCCCCC2C(CO)=C(C)C(=O)C12,CI,0
CCC1=C(C(C)=O)C2CCCCCC(C(=O)OC)C2C1=O,CI,0
O=C1CC2C(c3ccccc3)C3C(=O)c4ccccc4NC(=O)C3C2(O)c2ccccc2N1,CM,1
O=C1CC2C(c3ccc(Br)cc3)C3C(=O)c4ccccc4NC(=O)C3C2(O)c2ccccc2N1,CI,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc(CN(CC)CC)c1O.Cl,CI,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c4ccccc4n(C)c23)cc(CN(CC)CC)c1O.Cl,CI,0
Cc1cn(CC2COC(CO)O2)c(=O)[nH]c1=O,CI,0
O=c1ccn(CC2COC(CP(=O)(O)O)O2)c(=O)[nH]1.[NaH],CI,0
Nc1ncnc2c1ncn2CC1COC(CO)O1,CI,0
Nc1nc(O)c2ncn(CC3COC(CO)O3)c2n1,CI,0
O=C1NC2(C=Cc3c(ccc4ccccc34)O2)Oc2ccccc21,CI,0
CN1C(=O)c2ccccc2OC12C=Cc1c(ccc3ccccc13)O2,CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)C13.[NaH],CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccccc2)C(=O)C13.[NaH],CI,0
CC1(C)C2CCC1(C)C(NC(=O)CCN1CCOCC1)C2,CI,0
CC1(C)CC2(C)CC1CC2NC(=O)CCN1CCOCC1,CI,0
COC1CCC(CO)OO1,CI,0
COC1CCC(C(C)O)OO1,CI,0
NC(=O)NN=C1CCc2ccccc2C1,CI,0
NC(=S)NN=C1CCc2ccccc2C1,CI,0
CCC(C=Cc1ccccc1)=NN=C(C=Cc1ccccc1)CC,CI,0
CC(C=Cc1ccccc1)=NN=C(C)C=Cc1ccccc1,CI,0
CSc1nc(C)c(Br)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CSc1nc(C)cc(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)[O-].Clc1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc(Cl)ccc4[OH+][Mn+3]13[OH+]2,CI,0
CC(=O)[O-].O=[N+]([O-])c1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc([N+](=O)[O-])ccc4[OH+][Mn+3]13[OH+]2,CI,0
COC(=O)C1=C(C)N2CCCOC2(C)C(C(=O)OC)C1c1cccc(Cl)c1,CI,0
CCOC(=O)C1=C(C)N2CCCOC2(C)C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CI,0
COC(=O)C1=C(C)N2CCSC2(C)C(C(=O)OC)C1c1cccc(Cl)c1,CI,0
COC(=O)C1=C(C)N2C(C(=O)O)CSC2(C)C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CI,0
O=C1C(c2ccc([N+](=O)[O-])cc2)=C(Cl)C(=O)c2c(O)cccc21,CI,0
O=C1C(Cl)=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2c(O)cccc21,CI,0
O=C1NP23(OCCO2)Oc2ccccc2C3(C(F)(F)F)O1,CI,0
CC1(C)OP23(NC(=O)OC2(C(F)(F)F)c2ccccc2O3)OC1(C)C,CI,0
COP12(OC)NC(=O)OC1(C(F)(F)F)c1ccccc1O2,CI,0
CCOP12(OCC)NC(=O)OC1(C(F)(F)F)c1ccccc1O2,CI,0
O=C1C(c2ccccc2)=C(O)c2cccc3cccc1c23,CI,0
[N-]=[N+]=NC1=C(c2ccccc2)C(=O)c2cccc3cccc1c23,CI,0
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)n(C)c1.[NaH],CI,0
Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)n(C)c1.[NaH],CM,1
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.[NaH],CI,0
Cl.Cn1cc(N)cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.[NaH],CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3ncncc3N12,CI,0
O=C1CCC2(c3ccc(F)cc3)Nc3ncncc3N12,CI,0
O=C1CCC2(c3ccccc3)Nc3ccncc3N12,CI,0
O=C1CCC2(c3ccc(Cl)cc3)Nc3ccncc3N12,CI,0
COC(=O)NC(C(=O)NC(OCc1ccccc1)C1COC(C)(C)O1)C(C)O[Si](C)(C)C(C)(C)C,CI,0
CC1(C)OCC(C(C=O)OCc2ccccc2)O1,CI,0
Cc1c2n(c(=O)[nH]c1=O)C1OC(CO)C(O2)C1N=[N+]=[NH2+],CI,0
Cc1c2n(c(=O)[nH]c1=O)C1OC(CO)C(O2)C1O,CI,0
COC(OC)c1cccc2c1C(=O)CCC1(O)c3ccccc3C1C2,CI,0
O=C1CCC2(O)c3ccccc3C2Cc2ccccc21,CI,0
COc1cccc2c1C1(O)C2CCCC12OCCCO2,CI,0
CC(=O)OC12c3ccccc3C1CCCC21OCCCO1,CI,0
COc1cccc2c1C1(O)C2CCCCCCCCCC12OCCCO2,CI,0
OC12c3ccccc3C1CCCCCCCCCC21OCCCO1,CI,0
OC12c3ccccc3C1CCCCCC21OCCCO1,CI,0
CC(=O)OC12c3ccccc3C1CCCCCC21OCCCO1,CI,0
CCN(CC)c1cccc2c1C1(O)CCC3(CC21)OCCCCO3,CI,0
COC(OC)c1cccc2c1C1(O)CCC3(CC21)OCCCCO3,CI,0
Cl.OC12CCCCCC1(N1CCOCC1)c1ccccc12,CI,0
c1ccc2c(c1)C1CCCCCC21N1CCOCC1,CI,0
CC(=O)OC12C(=NO)CCCCCC1c1ccccc12,CI,0
CC(C)(C)C(=O)OC12C(=NO)CCCCCC1c1ccccc12,CI,0
NC1CCC2(O)c3ccccc3C2C1,CI,0
COc1cccc2c1C1(O)C(O)CCCC21,CI,0
CC(=O)OC12CCCCC1C1(O)C(O)CCCCC21,CI,0
CC(=O)OC12CCCCCC1C1(O)C(O)CCCC21,CI,0
Cl.O=C(NCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1,CI,0
O=C(NCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1,CI,0
Cl.O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2cn1,CI,0
Cl.O=C(Nc1ccccc1)c1cc2ccc(O)c(O)c2cn1,CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)OCc1ccccc1)C(C)C)C(C)C,CI,0
CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1,CI,0
CCOC(CC(O)C1COC(=S)S1)OCC,CM,1
CCOC(CC(O[Si](C)(C)C(C)(C)C)C1COC(=S)S1)OCC,CI,0
O=C1Sc2ccccc2C(=O)N2CCSC12,CM,1
O=C1Sc2ccc(Cl)cc2C(=O)N2CCSC12,CI,0
O=[N+]([O-])c1ccc(NSc2ccccc2)cc1,CI,0
COc1ccc(N(C)Sc2ccccc2)cc1,CI,0
CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Nc1ccccc1,CI,0
CCOC(=O)N(c1ccccc1)N(CC)C(=O)C(C)=NNc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(S(=O)c2cccs2)cc1,CI,0
Cc1ccc(S(=O)c2sccc2C=O)cc1,CI,0
N=c1[nH]nc(Sc2ccc([N+](=O)[O-])cc2)s1,CI,0
N=c1[nH]nc(Sc2ccc(N)cc2)s1,CI,0
C[n+]1ccn2c3nc4ccccc4nc3c([O-])c(C#N)c21,CI,0
C[n+]1c(Cl)cn2c3nc4ccccc4nc3c([O-])c(C#N)c21,CI,0
CC1=NC(=Cc2ccc(N)cc2)C(=O)N1Nc1nnc(NN2C(=O)C(=Cc3ccc(N)cc3)N=C2C)c2ccccc12,CI,0
COc1cc(OC)c(C=C2N=C(C)N(Nc3nnc(NN4C(=O)C(=Cc5c(OC)cc(OC)cc5OC)N=C4C)c4ccccc34)C2=O)c(OC)c1,CI,0
CCOC12CC(OC)C3(O)CC(C1C3OCc1ccccc1)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43,CM,1
CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(OC)(C5C6OCc5ccccc5)C(C(OC(C)=O)C23)C14,CI,0
CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)Nc1c(Cl)cccc1Cl,CI,0
CC(C)(Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)C(=O)Nc1c(Cl)cccc1Cl,CI,0
[N-]=[N+]=Nc1cc(O)nnc1-c1ccccc1,CI,0
[N-]=[N+]=Nc1cccc(-c2nnc(Cl)cc2O)c1,CI,0
NNc1nnc(-c2ccccc2)nc1Cc1ccccc1,CI,0
CCSc1nnc(-c2ccccc2)nc1Cc1ccc(OC)cc1,CI,0
CN1CCCC(CNC2C3CC4CC(C3)CC2C4)C1,CI,0
CC(=O)N(CC1CCCN(C)C1)C1C2CC3CC(C2)CC1C3,CI,0
C=C(C)C12CC3CC(C(=NO)C(C1)C3=NO)C2(C)O,CI,0
C=C(C)C12CC3C(=NO)C(C1)C(C)C(C3=NO)C2(C)O,CI,0
Cc1ccc(S(=O)(=O)c2c(N)c3nccn3c3nc4ccccc4nc23)cc1,CI,0
Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n2ccnc12,CI,0
Brc1c2nc3ccccc3nc2n2ccc3ccccc3c12,CI,0
N#Cc1c2nc3ccccc3nc2n2ccc3ccccc3c12,CI,0
N#Cc1c2nc3ccccc3nc2n2ccccc12,CI,0
CCOC(=O)c1ccn2c(c1)c(C#N)c1nc3ccccc3nc12,CI,0
COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C,CI,0
CC(C)C(C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(C)C)C(C)C)N(C)C,CM,1
CC1CCc2c(sc3ncnc(NN=Cc4ccc(Cl)cc4)c23)C1,CI,0
CC1CCc2c(sc3ncnc(NN=Cc4ccc(Cl)c(Cl)c4)c23)C1,CI,0
COP1(=O)Oc2ccccc2C(=O)C(C(F)(F)F)(C(F)(F)F)O1,CI,0
O=C1c2ccccc2OP(=O)(OCC(F)(F)F)OC1(C(F)(F)F)C(F)(F)F,CI,0
CCOC(=O)c1ccccc1NN1C(=O)C=CC1=O,CI,0
O=C1C=CC(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
O=C1Nc2ccccc2Sc2ccccc21,CM,1
CN1C(=O)c2ccccc2Sc2ccccc21,CM,1
OCc1ccccc1C1CSCSC1,CI,0
NCc1ccccc1C1CSCSC1,CI,0
O=c1c2cc3c(=O)n(CCc4ccccc4CO)c(=O)c3cc2c(=O)n1CCc1ccccc1CO,CI,0
O=Cc1ccccc1CCn1c(=O)c2cc3c(=O)n(CCc4ccccc4C=O)c(=O)c3cc2c1=O,CI,0
O=C1OC(=C(Br)c2cccc3ccccc23)c2ccccc21,CI,0
O=C1OC(=C(Cl)c2cccc3ccccc23)c2ccccc21,CI,0
O=C(O)CCC(=NNc1nsc2ccccc12)c1ccccc1,CI,0
O=C(O)CCC(=NNc1nsc2ccccc12)c1ccc(Cl)cc1,CI,0
c1ccc(-n2cnnc2-c2nsc3ccccc23)cc1,CI,0
COc1ccc(-n2cnnc2-c2nsc3ccccc23)cc1,CI,0
O=C(NNC(=S)Nc1ccccc1)c1nsc2ccccc12,CI,0
COc1ccc(NC(=S)NNC(=O)c2nsc3ccccc23)cc1,CI,0
CCc1nnc(-c2nsc3ccccc23)s1,CI,0
CCNc1nnc(-c2nsc3ccccc23)s1,CI,0
O=C(NNC(=O)c1nsc2ccccc12)c1ccc(Cl)cc1,CI,0
COc1ccc(C(=O)NNC(=O)c2nsc3ccccc23)cc1,CI,0
COc1cc2c(oc(=O)c3cc4ccoc4c(OC)c32)c2cccc(O)c12,CI,0
COc1cc2c(oc(=O)c3cc4cc([Si](C)(C)C)oc4c(OC)c32)c2cccc(O)c12,CI,0
COc1cc2c(oc(=O)c3c4oc([Si](C)(C)C)cc4cc(OC)c23)c2cccc(O)c12,CI,0
COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(O)c12,CI,0
COc1cc2c(oc(=O)c3c4oc([Si](C)(C)C)cc4cc(OC)c23)c2cccc(OCc3ccccc3)c12,CI,0
COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(OCc3ccccc3)c12,CI,0
c1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
COc1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1,CI,0
Br.CC(C=Cc1ncccc1OCCCCCC(=O)O)=NNC1=NCCN1,CI,0
Br.CCCCCC(C=Cc1ncccc1OCCCCCC(=O)O)=NNC1=NCCN1,CI,0
Br.O=C(O)CCCCCOc1cccnc1C=NNC1=NCCN1,CI,0
CN(N=Cc1ccccn1)C1=NCCN1.I,CI,0
COc1cc2c3c(c1)[nH]c(=S)n3C(=O)CS2,CI,0
COc1cc2c3c(c1)[nH]c(=S)n3C(=O)C(C)S2,CI,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccco1,CI,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccco1,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NCCN=C(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccccc1[N+](=O)[O-])NCCN=C(NNc1ccccc1[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1,CI,0
COC(=O)CCCC(=O)C(=NNc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl,CI,0
CC(C)OP(=O)(OC(C)C)c1ncn(-c2ccc([N+](=O)[O-])cc2)n1,CI,0
NC(=O)Cc1ncn(-c2ccccc2)n1,CI,0
CC(=O)OC1C(N(C)C(=O)c2ccccc2)CCC2(C)C3CCC4(C)C(CC(O)C4C(C)N(C)C)C3CCC12,CI,0
CC(=O)OC1C(NC(=O)c2ccccc2)C(O)CC2(C)C3CCC4(C)C(CCC4C(C)N(C)C)C3CCC12,CI,0
CC1(C)CNC(=O)C2(C=NC(C)(C)CNC(=O)C3(C=N1)CCCO3)CCCO2,CI,0
CC(C)C1CNC(=O)C2(C=NC(C(C)C)CNC(=O)C3(C=N1)CCCO3)CCCO2,CI,0
CC1(C)CNC(=O)C2(CCCO2)CNC(C)(C)CNC(=O)C2(CCCO2)CN1,CI,0
CC(C)C1CNC(=O)C2(CCCO2)CNC(C(C)C)CNC(=O)C2(CCCO2)CN1,CI,0
COc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)C(c2ccc(OC)cc2)C=3c2nc3ccccc3[nH]2)cc1,CI,0
N#CC1=C(N)n2c(sc(=Cc3ccc(Cl)cc3)c2=O)=C(c2nc3ccccc3[nH]2)C1c1ccc(Cl)cc1,CI,0
Cc1ccc(N=NC(C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1,CI,0
O=C1CSC(C(N=Nc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1,CI,0
N#CC(=C1Sc2c(O)ncnc2N1c1ccccc1)c1nc2ccccc2[nH]1,CI,0
Cc1nc(O)c2c(n1)N(c1ccccc1)C(=C(C#N)c1nc3ccccc3[nH]1)S2,CI,0
N#CC(=C1SCC(=O)N1c1ccccc1)c1nc2ccccc2[nH]1,CI,0
Cc1ccc(N2C(=O)CSC2=C(C#N)c2nc3ccccc3[nH]2)cc1,CI,0
N#CC(=C1SC(C(N)=O)=C(N)N1c1ccccc1)c1nc2ccccc2[nH]1,CI,0
CCOC(=O)C1=C(N)N(c2ccccc2)C(=C(C#N)c2nc3ccccc3[nH]2)S1,CI,0
Cc1ccc(N2C(=O)C(=C3SC(C(N)=O)=C(N)N3c3ccccc3)SC2=S)cc1,CI,0
CCOC(=O)C1=C(N)N(c2ccccc2)C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)S1,CI,0
COc1ccc(C=Nn2cnc3c(sc(=S)n3-c3ccccc3)c2=O)cc1,CI,0
COc1ccc(C=Nn2c(C)nc3c(sc(=S)n3-c3ccccc3)c2=O)cc1,CI,0
COc1ccc(C=Nn2cnc3c(c2=O)SC(=C(C#N)C#N)N3c2ccccc2)cc1,CI,0
CCOC(=O)C(C#N)=C1Sc2c(ncn(N=Cc3ccc(OC)cc3)c2=O)N1c1ccccc1,CI,0
COc1ccc(C=NNC(=O)C2=C(N)N(c3ccccc3)C(=C(C#N)C#N)S2)cc1,CI,0
CCOC(=O)C(C#N)=C1SC(C(=O)NN=Cc2ccc(OC)cc2)=C(N)N1c1ccccc1,CI,0
Cc1cn(C2CC(N(O)Cc3ccccc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N(O)Cc3ccccc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
O=C1NC2OC(CO)C(O)C(O)C2O1,CI,0
O=C1NC2OCC(O)C(O)C2O1,CI,0
CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C(=O)O)cc1,CI,0
CCOC(=O)c1ccc(-n2c(SCC)nc3sc(C)c(C)c3c2=O)cc1,CI,0
O=C1OC2(OC2c2ccccc2)c2ccccc21,CI,0
O=C1OC2(OC2c2ccc(Cl)cc2)c2ccccc21,CI,0
C=CCCCCCCCCCP(=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
CC(C)OP(=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
O=C(Nc1nc2ccccc2n1Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,CI,0
O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2,CI,0
CC(C)C(=O)CC(c1ccc(Cl)cc1)N1N=C(C(C)C)CC1c1ccc(Cl)cc1,CI,0
CC(C)C(=O)CC(c1ccc(Br)cc1)N1N=C(C(C)C)CC1c1ccc(Br)cc1,CI,0
CCOC(=O)C(Cc1ccccc1)NC(=O)c1nc[nH]c1N=NN(C)C,CI,0
CCOC(=O)C(Cc1ccccc1)NC(=O)c1nc[nH]c1[N+](=O)[O-],CI,0
CCOC(=O)C(Cc1ccc(N=NN(C)C)cc1)NC(=O)CC1c2ccccc2-c2ccccc21,CI,0
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)CC1c2ccccc2-c2ccccc21,CI,0
CCCCCCN(CCCCCC)C(=O)Cc1c2n(c3ccccc13)Cc1ccccc1-2,CI,0
CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)Cc1ccccc1-2,CI,0
CC(C)[Si](OCC1CC(CC2CC(CC3CC(CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C,CI,0
CC1(C)OC(CC2(C#N)CC(CCl)OC(C)(C)O2)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)O1,CI,0
O=C1SC(c2ccccc2)(c2ccccc2)c2ccccc21,CI,0
O=C1SC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21,CI,0
Cc1cn(C2CC(n3cncn3)C(C(C)O)O2)c(=O)[nH]c1=O,CI,0
CC(O)C1OC(n2ccc(=O)[nH]c2=O)CC1n1cncn1,CI,0
O=C1Oc2cc3c(c4cccc1c24)OCN(c1ccccc1)C3,CI,0
O=C1Oc2cc3c(c4cccc1c24)OCN(c1ccc(Cl)cc1)C3,CI,0
CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1,CI,0
CC(=O)OC1CC2C3(C)CC4OC(C)(O)CC(C)C4C3(C)CCC23CC32CCC(OC3OCC(O)C(O)C3O)C(C)(C)C12,CI,0
COc1ccc(C2NC3=C(CCCC3)N2)cc1,CI,0
O=[N+]([O-])c1ccc(C2NC3=C(CCCC3)N2)cc1,CI,0
Cc1c(C(=O)CSc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C,CI,0
Cc1c(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(=O)n(-c2ccccc2)n1C,CI,0
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NNC(=S)Nc1ccccc1,CI,0
CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NNC(=S)Nc1ccccc1,CI,0
CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN,CI,0
CCCNC(=S)NNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CI,0
OC1CSCCCSCCSCCCSC1,CI,0
C1CSCCCSCCSCCCSC1,CI,0
CCCCc1c2c(nc3c1CCC(=Cc1ccccc1)C3=O)CCCC2,CI,0
CCCCc1c2c(nc3c1CCC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CCCC2,CI,0
CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=O)CCC2,CI,0
CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=O)C(CN(C)C)CC2,CI,0
CC1(C)CC(C)(C)CC(O)(C2(O)CC(C)(C)CC(C)(C)C2)C1,CI,0
CC1(C)CC(C2CC(C)(C)CC(C)(C)C2O)C(O)C(C)(C)C1,CI,0
CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2,CI,0
CCOC(=O)c1c2c(nc3c1CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2,CI,0
CCOC(=O)C1(CO)CSCCSC1,CI,0
CCOC(=O)C1CSCCSC1,CI,0
C=CCN(CCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1,CI,0
C=CCN(CCN(CC=C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1,CI,0
ClCC1(CCl)COC1,CI,0
CCC(=O)NC(OCC1(CC)COC1)(C(F)(F)F)C(F)(F)F,CI,0
COc1ccc(C=C2C(=O)NC(=O)c3ccccc32)cc1OC,CI,0
COc1ccc(C=C2C(=O)N(C)C(=O)c3cc(OC)c(OC)cc32)cc1OC,CI,0
S=c1sc2c(n1-c1ccccc1)N=CNC2S,CI,0
CSC1NC=Nc2c1sc(=S)n2-c1ccccc1,CI,0
O=C(O)c1ccccc1-n1nc(C(=O)O)c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(C(=O)O)nn(-c5ccccc5C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[Cu].[NaH],CI,0
O=C(O)c1ccccc1-n1nc(C(=O)O)c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(C(=O)O)nn(-c5ccccc5C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[Na+],CI,0
c1ccc2c3c([nH]c2c1)C1(CCCCC1)c1c([nH]c2ccccc12)C31CCCCC1,CI,0
CC(C)(C)C1CCC2(CC1)c1[nH]c3ccccc3c1C1(CCC(C(C)(C)C)CC1)c1[nH]c3ccccc3c12,CI,0
O=C1NC2OC(CO)C(O)C2O1,CI,0
O=C1NC2OC(C(O)CO)C(O)C2O1,CI,0
CCOC(=O)C1C(c2ccc(Cl)cc2Cl)NC(c2ccc(C)cc2)C(C(=O)OC)S1(=O)=O,CI,0
CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)S1(=O)=O,CI,0
COC1=CC(=O)C2C3Cc4ccccc4C3C2C1=O,CI,0
COC1=CC(=O)C2C3Cc4ccccc4C3C2(C)C1=O,CI,0
COC1=CC(=O)C2C3COc4ccccc4C3C2C1=O,CI,0
COC1=CC(=O)C2C(C1=O)C1c3ccccc3OC(C)(C)C21,CI,0
c1ccc(C2N=C(c3ccccn3)C(c3ccccn3)=NC2c2ccccc2)cc1,CI,0
Cc1cccc(C2=NC(c3ccccc3)C(c3ccccc3)N=C2c2cccc(C)n2)n1,CI,0
c1ccc(C2CN=C(c3ccccn3)C(c3ccccn3)=N2)cc1,CI,0
CC1N=C(c2ccccn2)C(c2ccccn2)=NC1c1ccccc1,CI,0
COC(=O)C1CCc2c1c(=O)n1c([nH]c3ccccc31)c2C#N,CI,0
CCOC(=O)C1CCc2c1c(C#N)c1[nH]c3ccccc3n1c2=O,CI,0
CC1c2c(cc(O)n(Cc3ccccc3)c2=O)C(=O)N1C,CI,0
CCCN1C(=O)c2cc(O)n(Cc3ccccc3)c(=O)c2C1C,CI,0
Cc1noc(N=C2C=C(Nc3onc(C)c3C)C(=O)c3ccccc32)c1C,CI,0
Cc1cnoc1N=C1C=C(Nc2oncc2C)C(=O)c2ccccc21,CI,0
COC1=C(OC)C(=O)c2cc(C)c(=O)c(C)cc2C1=O,CI,0
O=C1C(Br)=C(Br)C(=O)c2ccc(=O)ccc21,CI,0
COc1cc2c(cc1OC)C1(c3ccccc3)ON=C(c3ccccc3)N1CS2,CI,0
COc1cc2c(cc1OC)C1(c3ccc(Cl)cc3)ON=C(c3ccccc3)N1CS2,CI,0
Cc1ccc2nc(NC(=O)C(Cc3nc4ccc(Cl)cc4nc3O)=NNC(C)(C)C)sc2c1,CI,0
C[N+](C)(C)CC(=O)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1.[Cl-],CI,0
CC(C)(C)[Si](C)(C)OCCC1CC2(S(=O)(=O)C3=CC=C=C=C3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
CC(C)(C)[Si](C)(C)OCCCCC1CC2(S(=O)(=O)C3=CC=C=C=C3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
C=CCc1ccccc1CC1(OCC)OC(=O)c2ccccc21,CI,0
COc1ccccc1CC1(O)OC(=O)c2ccccc21,CI,0
COc1ccc(C(O)C(=Cn2ccnc2)c2ccccc2)cc1OC,CI,0
COc1ccc(C(=Cn2ccnc2)C(O)c2ccc(OC)c(OC)c2)cc1OC,CI,0
CSc1cnc2ccccc2c1Sc1c[nH]c2ccccc2c1=O,CI,0
CSc1cnc2ccccc2c1Sc1cn(C)c2ccccc2c1=O,CI,0
Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1,CI,0
Cn1cc2ccccc2c1-c1nc(F)nc(Nc2ccc(N)cc2)n1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4cn3C)n2)cc1,CI,0
COC(=O)C1C=CCON2CCc3c(n(C)c4ccccc34)C12,CI,0
Cn1c2c(c3ccccc31)CCN1OCC=CC(C(=O)O)C21,CI,0
CC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1,CI,0
CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)n2)=N1,CI,0
CC1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2C1O,CI,0
CCOC1C(Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C1C,CI,0
Cc1nc2sccn2c1C(=O)NN=C1SCC(=O)N1C,CI,0
C=CCN1C(=O)CSC1=NNC(=O)c1c(C)nc2sccn12,CI,0
O=C(c1ccc(Cl)cc1)c1ccc(OCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1,CI,0
O=C(c1ccc(Cl)cc1)c1ccc(OCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2Cl)c(Cl)c1,CI,0
CC1c2c(cc(O)nc2O)C(=O)N1Cc1ccccc1,CI,0
CCC1c2c(cc(O)nc2O)C(=O)N1Cc1ccccc1,CI,0
COC1(C)C(=O)N2C1N(C(C)=O)CC2(C)C,CI,0
COC1(C)C(=O)N2C1N(C(=O)OC(C)(C)C)CC2(C)C,CI,0
CC(C)C1CN(C(=O)OCc2ccccc2)C2N1C(=O)C2(C)OCc1ccccc1,CI,0
CC1(OCc2ccccc2)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C,CI,0
COC1(C)CNCC(C)(C)NC(=O)C(C)(OC)CNCC(C)(C)NC1=O,CI,0
CC1(C)CNCC(C)(O)C(=O)NC(C)(C)CNCC(C)(O)C(=O)N1,CI,0
CC(C)C1CNC2N1C(=O)C2(C)OCc1ccccc1,CI,0
CC1(OCc2ccccc2)C(=O)N2C1NCC2(C)C,CI,0
COC(=O)CC(C(C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC(c2ccccc2)C1c1ccccc1,CI,0
COC(=O)CC(C(C(=O)OCc1ccccc1)C(C)O)N1C(=O)OC(c2ccccc2)C1c1ccccc1,CI,0
C=CN1C(=O)OC(c2ccccc2)C1c1ccccc1,CI,0
COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(=O)OC(c2ccccc2)C1c1ccccc1,CI,0
COC(=O)CC(C(C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OCC1c1ccccc1,CI,0
COC(=O)CC(C(C(=O)OCc1ccccc1)C(C)O)N1C(=O)OCC1c1ccccc1,CI,0
Cc1ccc(C2(C)NC(=S)N(NC(N)=S)C2=S)cc1,CI,0
CCCCCCCCCCCCCCCC(=O)ON1C(=S)NC(C)(c2ccccc2)C1=S,CI,0
O=C(O)c1nn(-c2ccccn2)c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)nn(-c4ccccn4)c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0
O=C(O)c1nn(-c2ccccn2)c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)nn(-c4ccccn4)c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[MgH2].[NaH],CI,0
Cc1cn(C2CC=C(CO)CC2)c(=O)[nH]c1=O,CI,0
COC(=O)C1=CCC(n2cc(C)c(=O)[nH]c2=O)CC1,CI,0
NNC(=S)NN=C(C(=O)Nc1cccc(O)c1)C1C(=O)NC(=S)NC1=O,CI,0
COc1ccc(NC(=O)C(=NNC(N)=S)C2C(=O)NC(=S)NC2=O)c(OC)c1,CI,0
NN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C1=Nc2cc([N+](=O)[O-])ccc2NC1)[N+](=O)[O-],CI,0
COc1ccc(NC(=O)C(CC2=Nc3ccc([N+](=O)[O-])cc3NC2O)=NNC(=O)C[N+](C)(C)C)c(OC)c1.[ClH2+],CI,0
Cc1ccc(NC(=O)C(=NN(C)C)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])cc1,CI,0
NNC(=S)NN=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C1OC(=O)c2ccccc21)[N+](=O)[O-],CI,0
CCOC(=O)C(Br)=C1OC(=O)c2ccccc2-c2ccccc21,CI,0
CCC(C)OC(=O)C(Br)=C1OC(=O)c2ccccc2-c2ccccc21,CI,0
CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)C2c2ccccc2)C1c1ccccc1,CI,0
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C2=C(C(=O)N(c3ccccc3)C2c2ccccc2)C1c1ccccc1,CI,0
CC(C)C1COC(C(C)(C)C2=NC(C(C)C)CO2)=N1,CI,0
CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1,CI,0
Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n2c1nc1ccccc12,CI,0
Cc1ccc(S(=O)(=O)c2c(N)c3nc4ccccc4n3c3nc4ccccc4nc23)cc1,CI,0
CC1(C)CC(C=C2OC(=O)c3ccccc32)=C(C#N)C(=O)O1,CI,0
CC1(C)CC(C=C2OC(=O)c3ccccc32)=C(C(N)=O)C(=O)O1,CI,0
CC1(C)CC(C=Cc2coc3ccc(Cl)cc3c2=O)=C(C#N)C(=O)O1,CI,0
Cc1cc2occ(C=CC3=C(C#N)C(=O)OC(C)(C)C3)c(=O)c2cc1C,CI,0
CC1(C)OC(=O)C(C#N)=C1C=C1OC(=O)c2ccccc21,CI,0
CC1(C)OC(=O)C(C(N)=O)=C1C=C1OC(=O)c2ccccc21,CI,0
O=C(CCCn1cnc([N+](=O)[O-])n1)NCCn1ccnc1[N+](=O)[O-],CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1cnc([N+](=O)[O-])n1,CI,0
CC=C1C=CC2c3[nH]c4ccccc4c3CCN2C1,CI,0
CC=C1CN2CCc3c([nH]c4ccccc34)C2C=C1CCO,CI,0
Cn1c2c(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C1CC2,CI,0
COC(=O)C1CC2C(=O)N(c3ccccc3)C(=O)C2c2c1n(C)c1ccccc21,CI,0
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(=O)CC(C(=O)O)(C(=O)O)C2)OCO3,CI,0
COC(=O)C1(C(=O)OC)CC(=O)c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C1)OCO3,CI,0
COc1cc(C=O)c(-c2cc3c(cc2C2(C)OCCS2)OCO3)c(OC)c1OC,CI,0
COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C1(C)OCCS1)OCO2)C(=O)OC,CI,0
O=C(c1ccncc1)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1,CI,0
O=C(c1ccncc1)n1nc(-c2ccccc2)c(N=Nc2ccccc2[N+](=O)[O-])c1-c1ccccc1,CI,0
COc1ccc(CCN(C)CCCC2(C#N)c3ccccc3-c3ccccc32)cc1OC,CI,0
COc1ccc(CCNCCCC2c3ccccc3-c3ccccc32)cc1OC,CI,0
Cl.N=C1NNC(=O)c2nnc3c(C(=O)O)cnn3c2S1,CI,0
Cc1nn2c3c(nnc2c1C#N)C(=O)NNC(=N)S3.Cl,CI,0
Cc1c2n(c3ccccc13)CC1CON(C)C21,CI,0
Cc1c2n(c3ccccc13)CC1C2N(C)OC1(C)C,CI,0
CCn1cc[n+]([Pt-2]([I-])([I-])[n+]2ccn(CC)c2)c1,CI,0
CCCn1cc[n+]([Pt-2]([I-])([I-])[n+]2ccn(CCC)c2)c1,CI,0
O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccc4c(c3)OCO4)c(O)nc2c1,CI,0
Oc1nc2cc(Cl)ccc2nc1C(=NNc1ccccc1)C(O)c1ccc2c(c1)OCO2,CI,0
O=C(O)C12C=CC(C1)c1ccccc12,CI,0
OCC12C=CC(C1)c1ccccc12,CI,0
CC=C1CN(C)CC2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)CC12,CI,0
CC=C1CN(C)CC2Cc3c(n(OC)c4ccccc34)C(=O)CC12,CI,0
COC12c3ccccc3-c3ccccc3C1C1C(=O)OC(=O)C12,CI,0
CC(=O)OC12c3ccccc3-c3ccccc3C1C1C(=O)OC(=O)C12,CI,0
CC1(C(=O)O)CCCC2(C)C3CCC4(C=C3CCC12)SCCS4,CI,0
CC12CCCC(O)C1CCC1=CC3(CCC12)SCCS3,CI,0
COc1ccc2c(c1)CCC1C3(CCCC21C=O)OCCO3,CI,0
COc1ccc2c(c1)CCC1C3(CCCC21C)OCCO3,CI,0
O=Cc1cc2c(cc1-c1cc3c(cc1C=O)OCO3)OCO2,CI,0
COc1c(C)c(-c2c(C)c(OC)c3c(c2OC)OCO3)c(OC)c2c1OCO2,CI,0
CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,CM,1
COC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COc1ccc2c(c1)C(=O)C1CC(=O)CCC21,CI,0
C=CCC12CC(=O)CCC1c1ccc(OC)cc1C2=O,CI,0
NC(=S)NNC(=O)C(=Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NNC(N)=S)cc1)NC(=O)c1ccccc1,CI,0
CCCCCCCCNC(=O)C(=Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCCCCCCCC)cc1)NC(=O)c1ccccc1,CI,0
CN1CCOC(c2ccccc2)O1,CI,0
CN1CCOC(c2ccc(Cl)cc2)O1,CI,0
CC1(C)CC(=O)C(CC2C(=O)CCCC2=O)C(=O)C1,CI,0
CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1,CI,0
O=C(Nc1ccccc1[N+](=O)[O-])C(=NNc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O,CI,0
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=NNc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O,CI,0
CCC12CCCN(CCBr)C1c1c(n(C)c3ccccc13)C(C(=O)OC)C2,CI,0
CCC12CCCNC1c1c(n(C)c3ccccc13)C(C(=O)OC)C2.Cl,CI,0
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32,CI,0
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1O)Nc1ccccc14)C32,CI,0
CCC12C=CCN(CCc3c([nH]c4ccccc34)C=C1)C2,CI,0
C1=CC2C=Cc3[nH]c4ccccc4c3CCN(C1)C2,CI,0
O=C(O)c1cc(CNc2ccc(C=Cc3ccc(NCc4ccc(O)c(C(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1O.[NaH],CM,1
O=C(O)c1cc(O)cc(O)c1CNc1ccc(C=Cc2ccc(NCc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
O=[N+]([O-])c1ccc(COc2cccc3cccnc23)cc1,CI,0
c1ccc(COc2cccc3cccnc23)cc1,CI,0
COc1cc(O)c2c(c1)cc(O)c1c(=O)cc(C)oc12,CI,0
COc1cc(OS(=O)(=O)O)c2c(c1)cc(O)c1c(=O)cc(C)oc12,CI,0
CC(=O)C=C1Nc2ccccc2-n2nnnc21,CI,0
CCOC(=O)C=C1Nc2ccccc2-n2nnnc21,CI,0
CC(C(=NNc1ccccc1)c1ccc(O)cc1)C1C(=O)Oc2ccccc21,CI,0
O=C1Oc2ccccc2C1CC(=NNc1ccccc1)c1ccccc1O,CI,0
NN=C(CC1OC(=O)c2ccccc21)c1ccco1,CI,0
NC(=O)NN=C(CC1OC(=O)c2ccccc21)c1ccco1,CI,0
COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccncc1,CI,0
O=C(NNC(=O)c1ccncc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CCCCN(CC)C(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
COC(=O)C(=O)C(C(=O)C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O,CI,0
[N-]=[N+]=NC1OC(=O)C(Cl)=C1N=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C1OC(Cl)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl,CI,0
OC1=CN=COc2ccccc21,CI,0
CC1=NC=C(O)c2ccccc2O1,CI,0
Cl.N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccccc1,CI,0
Cl.N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccc(Cl)cc1,CI,0
N=c1[nH]c2ccccc2n1CC(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
Cl.Cn1c(=N)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21,CI,0
O=C(Nc1nc2ccccc2n1Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O,CI,0
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S2,CI,0
CC(C)c1ccc(Cc2ccc(C(C)C)c(NC(=O)C(=O)Cc3cnc4ccccc4n3)c2C(C)C)c(C(C)C)c1NC(=O)C(=O)Cc1cnc2ccccc2n1,CI,0
CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)Cc3nc4ccccc4nc3C)c2CC)c(CC)c1NC(=O)C(=O)Cc1nc2ccccc2nc1C,CI,0
Cc1ccc(NC(=O)C(=O)Cc2cc[n+]([O-])cc2)cc1,CI,0
O=C(Cc1cc[n+]([O-])cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,CI,0
CC(=CC(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O,CM,1
CC(=CC(=O)OCCCCCCCC(=O)NC1CCCNC1=O)CC1OCC(CC=CC(C)C(C)O)C(O)C1O,CI,0
CC(C)(C)c1ccc(Oc2ccc3c4nc5nc(nc6nc(nc7nc(nc(n4)c3c2)c2ccc(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)cc72)c2ccc(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)cc62)c2cc(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)ccc52)c(C(C)(C)C)c1,CI,0
CCCCCCCCCc1ccc(Oc2ccc3c4nc5nc(nc6nc(nc7nc(nc(n4)c3c2)c2ccc(Oc3ccc(CCCCCCCCC)cc3)cc72)c2ccc(Oc3ccc(CCCCCCCCC)cc3)cc62)c2cc(Oc3ccc(CCCCCCCCC)cc3)ccc52)cc1,CI,0
CC(C)(C)COc1ccc2c3nc4nc(nc5nc(nc6nc(nc(n3)c2c1)c1ccc(OCC(C)(C)C)cc61)c1ccc(OCC(C)(C)C)cc51)c1cc(OCC(C)(C)C)ccc41,CI,0
CCCCCCCCCCCCCCCCCCOc1ccc2c3nc4nc(nc5nc(nc6nc(nc(n3)c2c1)c1cc(OCCCCCCCCCCCCCCCCCC)ccc61)c1ccc(OCCCCCCCCCCCCCCCCCC)cc51)c1cc(OCCCCCCCCCCCCCCCCCC)ccc41,CI,0
CC(C)(c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1,CI,0
CC(C#N)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(C)C#N)cc4)cc3)cc2)cc1,CI,0
CS(=O)(=O)OC1CCC2(C#N)CCC1C2=O,CI,0
N#CC12CCC(O)C(CC1)C2=O,CI,0
CC(CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
CC(CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1ccccc1,CI,0
COC(=O)C1(C)CCCC2(C)C1CCC1C=C(C)C3CCC12C3,CI,0
CC(=O)OCC1(C)CCCC2(C)C1CCC1C=C(C)C3CCC12C3,CI,0
CC1(C)CCCC2(C)C1CCC1CC(O)C3(C)CCC12C3,CI,0
COC(=O)CC(=O)OC1CC2CCC3C(C)(C)CCCC3(C)C23CCC1(C)C3,CI,0
COC(=O)C1(C)CCCC2(C)C3CC4OOC3(C=C4C(C)C)CCC12,CI,0
COC(=O)C1(C)CCCC2(C)C3CC4OOC3(C=C4C(C)(C)O)CCC12,CI,0
C=CC1(C)CC(O)C2C(=C)C(=O)OC2C1C(=C)C=O,CI,0
C=C1C(=O)OC2C1CC(O)C(C)(CC)C2C(=C)C=O,CI,0
Cc1cc(C)n(-c2c(O)ccc(O)c2-n2nc(C)cc2C)n1,CI,0
Oc1ccc(O)c(-n2cccn2)c1-n1cccn1,CM,1
Cc1ccc(NC(=O)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2C(=O)NC(=O)NC2=O)cc1,CI,0
N#Cc1ccccc1NC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C1C(=O)NC(=O)NC1=O,CI,0
CC1(C)N=C(c2ccccn2)C(c2ccccn2)=NC1(C)C,CI,0
Cc1cccc(C2=NC(C)(C)C(C)(C)N=C2c2cccc(C)n2)n1,CI,0
CC(=O)OCC1(C)C(N(C)C)CCC23CC24CCC2(C)C(C(C)N(C)C)C(O)CC2(C)C4C=CC13,CI,0
CC(C1C(O)CC2(C)C3C=CC4C(C)(C)C(N(C)C)CCC45CC35CCC12C)N(C)C,CI,0
CSc1nc2c(c(O)c(C)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C,CI,0
CSc1nc2c(c(O)c(C)c(=O)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(NC(=O)c2ccc(N=Cc3ccc(N(CCC#N)S(C)(=O)=O)cc3C)cc2)C1=O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=Nc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(NC(=O)CC(=O)Nc2ccccc2Cl)C1=O,CI,0
COc1ccc(NC(=O)CC(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2C=Cc2ccccc2)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)NC(=O)Nc1ccccc1C,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)Nc1ccccc1Cl,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1,CI,0
Cc1nc2cc(N=Nc3c(O)ccc4ccccc34)ccc2[nH]1,CI,0
CCc1nc2cc(N=Nc3c(O)ccc4ccccc34)ccc2[nH]1,CI,0
NC(=O)N1N=C2c3ccccc3CCC2C1c1ccccc1,CI,0
NC(=S)N1N=C2c3ccccc3CCC2C1c1ccccc1,CI,0
CSc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2,CI,0
COc1cc(-c2nc(SC)nc3c2CCc2ccccc2-3)cc(OC)c1OC,CI,0
CC1=NN2C(=O)CSC2=NC(C)(C)C1,CI,0
CC1=NN2C(=O)C(C)SC2=NC(C)(C)C1,CI,0
O=C(NCCS(=O)(=O)N1C(=O)C2CCCN2C(=O)C1Cc1ccccc1)OCc1ccccc1,CI,0
CN(CCS(=O)(=O)N1C(=O)C2CCCN2C(=O)C1Cc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,CI,0
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1,CI,0
CCOC(=O)C(C(=O)c1ccccc1)=[N+]1c2ccccc2N(C)[C-]1C,CI,0
CCOC(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1)=[N+]1c2ccccc2N(C)[C-]1C,CI,0
CCOC(=O)C(C=O)=[N+]1c2ccccc2N(C)[C-]1C,CI,0
CCOC(=O)C(=O)C(C(=O)OCC)=[N+]1c2ccccc2N(C)[C-]1C,CI,0
COc1ccc2[nH]c3c4c(cc(-c5ccccc5)c3c2c1)C(=O)N(c1ccccc1)C4=O,CI,0
CCn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)N(c1ccccc1)C3=O,CI,0
COc1ccc(C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,CI,0
O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,CI,0
COc1cc(Br)c(C=Nc2cccc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1OC,CI,0
COc1cc(Br)c(C=Nc2cccc3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)cc1OC,CI,0
CCC(CC)n1cc(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(C(CC)CC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0
C=CCn1cc(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(CC=C)c(=O)n(C)c2=O)c(=O)n(C)c1=O,CI,0
Cc1c2c(cc3c(=O)ccn(CCN(C)C)c13)c(=O)ccn2CCN(C)C,CI,0
CCN(CC)CCn1ccc(=O)c2cc3c(=O)ccn(CCN(CC)CC)c3c(C)c21,CI,0
O=[N+]([O-])c1ccc2c(Nc3ccccc3-c3ccccc3Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)c3ccccc3nc2c1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3-c3ccccc3Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1,CI,0
Br.CN(C)CCCSc1c2ccccc2nc2cc(NCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CNc3ccc4c(SCCCN(C)C)c5ccccc5nc4c3)ccc12,CI,0
Br.CCN(CC)CCSc1c2ccccc2nc2cc(NCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CNc3ccc4c(SCCN(CC)CC)c5ccccc5nc4c3)ccc12,CI,0
CNc1nnnn1C1OC(CO)C(O)C1O,CI,0
CCOC(=O)CNc1nnnn1C1OC(CO)C(O)C1O,CI,0
CCOC(=O)C(C#N)=C1NC(C(=O)OCC)CO1,CI,0
O=[N+]([O-])C(=C1NCCO1)C(Cl)=C(Cl)Cl,CI,0
CCOC(=O)C(C(=O)c1ccccc1)=C1NCCN1,CM,1
CCOC(=O)C(C(=O)c1ccccc1)=C1NCCN1C,CI,0
COC1=CC(=O)NCCN1,CI,0
CC1=CC(=O)NCCN1C,CI,0
COc1c(OCc2ccccc2)c(OCc2ccccc2)cc(CO)c1-c1c(CO)cc(OCc2ccccc2)c(OCc2ccccc2)c1OC,CI,0
COc1c(OCc2ccccc2)c(OCc2ccccc2)cc(COS(=O)(=O)O)c1-c1c(COS(=O)(=O)O)cc(OCc2ccccc2)c(OCc2ccccc2)c1OC.[NaH],CI,0
O=C(Nc1nc(=S)[nH][nH]1)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],CI,0
COC(=O)C(=O)C(C(=O)C(=O)Nc1nc(=S)[nH][nH]1)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1occc(=O)c1O,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1occc(=O)c1O,CI,0
Cc1ccc2nc(NC(=O)C(=NNC(=S)NN)C3C(=O)NC(=S)NC3=O)sc2c1,CI,0
NC(=S)NN=C(C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)C1C(=O)NC(=S)NC1=O,CI,0
C[N+](C)(C)CC(=O)NN=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21.[Cl-],CI,0
N=C(N)N=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21,CI,0
COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Br-],CI,0
COc1ccc(OC)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-],CI,0
C#CCCCCCCCCCC=C1CC(O)COC1=O,CI,0
C=CCCCCCCCCCC=C1CC(O)COC1=O,CI,0
Cc1cc(C)c(C(=O)C(C)C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1,CI,0
COc1ccc(C(c2ccccc2)C(C)C(=O)c2c(C)cc(C)cc2C)cc1,CI,0
N=C(NN=Cc1c[nH]c2ccccc12)Nc1ccccc1.O=[N+]([O-])O,CI,0
COc1ccccc1NC(=N)NN=Cc1c[nH]c2ccccc12.I,CI,0
CC1C(c2ccccc2)=CCON1c1ccccc1,CI,0
C1=C(c2ccccc2)CN(c2ccccc2)OC1,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)Cn1c([N+](=O)[O-])cnc1C,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)Cn1ccnc1[N+](=O)[O-],CI,0
COc1cc2c(cc1C1=NC(C)(C)CO1)OCO2,CI,0
CC1(C)COC(c2cc3c(cc2Br)OCO3)=N1,CI,0
O=C(O)C1=CNC(C(=O)O)=NN1.[NaH],CI,0
COC(=O)C1=CNC(C(=O)OC)=NN1,CI,0
CC(C)C1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21,CI,0
CC1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21,CM,1
C=CC1c2ccccc2C=CC12C=CC(=O)CC2,CI,0
O=CCC1c2ccccc2C=CC12C=CC(=O)CC2,CI,0
CC(C)N1CC2CC(CN(C(=O)c3ccccc3)C2)C1.[O-][Cl+3]([O-])([O-])O,CI,0
CC(C)N1CC2CC(CN(C(=O)c3ccc(Cl)cc3)C2)C1,CI,0
Cc1cn(Cc2ccccc2CCO)c(=O)[nH]c1=O,CI,0
O=c1[nH]c(=O)n(Cc2ccccc2)cc1B(O)O,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(N)c5ccccc5nc34)cc2)no1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)no1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(N)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)n1,CI,0
CNC(SC)=C1C(=O)OC(C)(C)OC1=O,CI,0
COC=C1C(=O)OC(C)(C)OC1=O,CM,1
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1N=NNCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCc1ccccc1,CI,0
CC(=O)OC1C(COS(=O)(=O)O)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)C(OC(C)=O)C1OC(C)=O.CCN(CC)CC,CI,0
CC(=O)C1CCC2C3CC=C4CC(OC5OC(COS(=O)(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C.CCN(CC)CC,CI,0
NC(Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O.O=[N+]([O-])O,CI,0
NC(Cc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1)C(=O)O,CI,0
C=C1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)OC)CCC32)C1,CI,0
C=C1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)O)CCC32)C1.N,CI,0
Cc1ccc(S(=O)(=O)OCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCC(=O)O)CCC43)C2)cc1.N,CI,0
COC(=O)CCC(C)C1CCC2C3CCC4CC(COS(=O)(=O)c5ccc(C)cc5)CCC4(C)C3CCC12C,CI,0
COC(=O)c1cc(C(=CCC23CC4CC(CC(C4)C2)C3)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0
N.O=C(O)c1cc(C(=CCC23CC4CC(CC(C4)C2)C3)c2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O,CI,0
CC1=NN(C(=O)CC(=O)N(C(=O)c2ccccc2Cl)c2ccc(C)cc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
CC1=NN(C(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
CCN(CC)C(=O)CC12CCCCC1=Nc1ccccc12,CI,0
CN(C)CCCC12CCCCC1=Nc1ccccc12,CI,0
COc1ccc2[nH]c3c(c2c1)CCN(C)CC3.I,CI,0
CC(=O)N1CCc2[nH]c3ccccc3c2CC1,CI,0
COc1ccc2c(c1)C1(C=N2)CCN(C(C)=O)CC1,CI,0
CC(=O)N1CCC2(C=Nc3ccccc32)CC1,CI,0
CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc2ccccc2c1,CI,0
N#CN=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0
Cl.NC(=O)N=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0
CCOC(=O)C(=Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1,CI,0
COc1cc(C=C(C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1,CI,0
O=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O,CI,0
O=C1c2ccccc2C(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O,CI,0
Cc1cc(=O)oc2cc(OC(=Cc3ccccc3)c3nc4ccccc4c(=O)o3)ccc12,CI,0
Cc1cc(=O)oc2cc(OC(=Cc3ccc(O)cc3)c3nc4ccccc4c(=O)o3)ccc12,CI,0
CCOC(=O)c1nc2ccc(OC)cc2c2c1Cc1ccccc1-2,CI,0
CCOC(=O)c1nc2ccc(Cl)cc2c2c1Cc1ccccc1-2,CI,0
CC(C)=CCCC(C)=CCCC(C)C=CC(=O)NCC1CC[N+]2(C)CCCCC12.O=P([O-])(O)O,CI,0
CC(C)=CCCC(C)C=CC=C(C)C(=O)CCC1CC[N+]2(C)CCCCC12.[Cl-],CI,0
CS(=O)(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)[n+](-c3cc(-c4ccc(S(C)(=O)=O)cc4)c([O-])c(-c4ccc(S(C)(=O)=O)cc4)c3)c(-c3ccc(S(C)(=O)=O)cc3)c2)cc1,CI,0
CS(=O)(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)[n+](-c3cc(-c4ccccc4)c([O-])c(-c4ccccc4)c3)c(-c3ccc(S(C)(=O)=O)cc3)c2)cc1,CI,0
CC(=O)C1CC(C)=CCC12C(=O)Nc1ccccc12,CI,0
CCOC(=O)C1(C(=O)OCC)CC=C(C)CC12C(=O)Nc1ccccc12,CI,0
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1CCc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CA,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C(O)C(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CA,1
CNN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(C(O)C(=NNC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0
CN(C)N=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(C(O)C(=NN(C)C)c2nc3ccc(Cl)cc3nc2O)cc1,CI,0
O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc2c(c1)OCO2,CI,0
O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc2c(c1)OCO2,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(C=Cc1ccc([N+](=O)[O-])cc1)=NNC(N)=S,CI,0
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(C=Cc1ccc([N+](=O)[O-])cc1)=NNC(=S)NN,CI,0
CC(C=CC(=O)c1sc(C(N)=S)nc1C)=Cc1ccccc1,CI,0
CC(=O)NNc1nc(C)c(C(=O)C=CC=Cc2ccccc2)s1,CI,0
N#CCCN(c1ccc(C=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1)S(=O)(=O)c1ccccc1,CI,0
Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=C1N=C(c2ccc(Cl)cc2)OC1=O,CI,0
COc1cccc(NC(=O)NC(=Cc2ccc(N(CCC#N)CCC#N)cc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1,CI,0
N#CCCN(CCC#N)c1ccc(C=C(NC(=O)Nc2ccccc2Cl)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0
COc1cccc(NC(=O)CC(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)N(NC(=O)CC(=O)Nc3ccccc3Cl)C2=O)cc1,CI,0
Cc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc1nnc(-c2ccccc2)s1,CI,0
O=C(CC(=O)Nc1cccc(Cl)c1)NNCC(=O)Nc1nnc(-c2ccccc2)s1,CI,0
Cl.OC(CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1,CI,0
COc1ccc(CCN2CCC(C#N)(c3ccc(OC)c(OC)c3)CC2)cc1OC.Cl,CI,0
COc1ccc(NC(=O)c2oc3cc(O)ccc3c(=O)c2C)c([N+](=O)[O-])c1,CI,0
Cc1cc(S(=O)(=O)O)c(NC(=O)c2oc3cc(O)ccc3c(=O)c2C)cc1Cl,CI,0
CC(=O)c1cccc(NC(=O)C(=O)NNc2n[nH]c(=S)n2N)c1,CI,0
Nn1c(NNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n[nH]c1=S,CI,0
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1cc(=O)oc2cc(O)ccc12,CI,0
Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)Cc2cc(=O)oc3cc(O)ccc23)cc1Cl,CI,0
CC(CC(=O)Nc1ccccc1C)=NNS(=O)(=O)c1ccc(C)cc1,CI,0
CC(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)=NNS(=O)(=O)c1ccc(C)cc1,CI,0
CC12CCC3(C1)C(CC2=O)CC(OC(=O)c1ccccc1)C1C(C)(C(=O)O)CCCC13C,CI,0
CC12CCC3(C1)C(CC2=O)CC(OC(=O)c1ccccc1)C1C(C)(CO)CCCC13C,CI,0
CC(=Cc1ccccc1)C(O)C(=O)c1nc2ccc(Cl)cc2nc1O,CI,0
CC(=Cc1ccccc1)C(O)C(=O)c1nc2ccc([N+](=O)[O-])cc2nc1O,CI,0
O=C(CCCCCCCCC(=O)OCCCn1cc(C(=O)NC(=O)OCc2ccccc2)c(=O)[nH]c1=O)OCCCn1cc(C(=O)NC(=O)OCc2ccccc2)c(=O)[nH]c1=O,CI,0
Cn1c(=O)c(C(=O)NC(=O)OCc2ccccc2)cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)n(C)c2=O)c1=O,CI,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=NN)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21,CI,0
NN=C(C(=O)Nc1cccc(Cl)c1)C(C(=O)c1ccc(O)cc1O)C1OC(=O)c2ccccc21,CI,0
CCCCN(CC)C(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,CI,0
O=C1CS(=O)c2ccccc2N1,CI,0
CCOC(=O)Cc1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O,CI,0
Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O,CI,0
COC(=O)c1ccccc1NC(=O)C(=O)Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O,CI,0
O=C(Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O)C(=O)Nc1ccccc1[N+](=O)[O-],CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3ccccc3)c21,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3cccc([N+](=O)[O-])c3)c21,CI,0
CC1C=C(Sc2ccccc2)C(=O)O1,CI,0
CC(C)(C)C1C=C(Sc2ccccc2)C(=O)O1,CI,0
CN(C)CC[n+]1nc2cccc3cccc([nH]1)c32.[Cl-],CI,0
CN(C)CCC[n+]1nc2cccc3cccc([nH]1)c32.[Cl-],CI,0
CN(C)CCn1nnc2cccc3cccc1c32.Cl,CI,0
CN(C)CCCn1nnc2cccc3cccc1c32.Cl,CI,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1nc(=N)[nH][nH]1,CI,0
N=c1nc(NC(=O)C(=O)Nc2ccccc2C(N)=O)[nH][nH]1,CI,0
CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)NN=C1C(=NNC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)C(c2ccc3c(c2)OCO3)Oc2ccccc21,CI,0
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)NN=C1C(=NNC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)C(c2ccc3c(c2)OCO3)Oc2ccccc21,CI,0
N#CCCN(c1ccc(-c2nnc(NC(=O)CNNC(=O)CC(=O)Nc3ccccc3)s2)cc1)S(=O)(=O)c1ccccc1,CI,0
COc1cccc(NC(=O)CC(=O)NNCC(=O)Nc2nnc(-c3ccc(N(CCC#N)S(=O)(=O)c4ccccc4)cc3)s2)c1,CI,0
CO.OCC1OC(OCC(COCc2ccccc2)OCc2ccccc2)C(O)C(O)C1O,CI,0
OC1C(CBr)OC(OCC(COCc2ccccc2)OCc2ccccc2)C(O)C1O,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2ccccc2)N(N)C1=O,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(NC(N)=S)C2=O)cc1,CI,0
NC(=O)c1cn(Cc2ccccc2)c(=O)n1Cc1ccccc1,CI,0
CCOC(=O)c1cn(Cc2ccccc2)c(=O)n1Cc1ccccc1,CI,0
CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C(C)(C)C)C1=O.[NaH],CI,0
CCOP(=O)(OCC)C(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)P(=O)(OCC)OCC,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3C(C#N)CC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3(O)CCC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O,CA,1
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21,CI,0
CCOc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccccc3F)C3OC(=O)c4ccccc43)sc2c1,CI,0
CN(C(=O)C12C3C4C5C3C1(C(=O)C13C6C7C8C6C1C8C73)C5C42)C(C)(C)C,CI,0
CN(C(=O)C12C3C4C1C1C4(C(=O)C45C6C7C4C4C5C6C74C)C3C12C)C(C)(C)C,CI,0
CC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)Sc1ccccc1N,CI,0
Cc1ccc(SC(C)C=CNNC2=NC(c3ccccc3)C(c3ccccc3)=NN2)cc1,CI,0
O=C(c1ccc(Cl)cc1Cl)N(N=CC=Cc1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1,CI,0
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(N=CC=Cc1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1,CI,0
CC1=CC(C)(C)N=C2SC(c3ccc(Cl)cc3)=NN12,CI,0
CC1=CC(C)(C)N=C2SC(c3ccc(N)cc3)=NN12,CI,0
COc1ccc(C=CC(=O)c2sc(=N)[nH]c2C)cc1,CI,0
Cc1[nH]c(=N)sc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1,CI,0
OCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CI,0
OCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CI,0
CC1CCC2(C(=O)O)CCC3(COC(=O)C=Cc4ccc(O)cc4)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,CI,0
COc1cc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)C(C)C4C2=CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)ccc1O,CI,0
Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(C=Cc1ccc2c(c1)OCO2)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1ccc(Nc2nc(C)c(C(C=Cc3ccc4c(c3)OCO4)=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3CCC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC34C)O2)c(=O)[nH]c1=O,CA,1
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3(O)CCC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O,CM,1
COC12CC(=O)C(=C(O)C=Cc3ccccc3)C(=O)C1(O)Cc1ccccc1O2,CI,0
COC12CC(=O)C(=C(O)C=Cc3ccccc3)C(=O)C1(OC)Cc1ccccc1O2,CI,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1,CI,0
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1,CI,0
Cl.O=[N+]([O-])c1nccn1CCCNc1c2ccccc2nc2ccccc12,CI,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCn3ccnc3[N+](=O)[O-])c12,CI,0
CCOC(=O)C=Cc1ccc2c(c1)OC(CO)C(c1ccc(O)c(OC)c1)O2,CI,0
CCOC(=O)C=Cc1ccc2c(c1)OC(c1ccc(O)c(OC)c1)C(CO)O2,CI,0
Clc1ccc(C2=NOC(C3CCCCC3)C2)cc1,CI,0
O=[N+]([O-])c1cccc(C2=NOC(C3CCCCC3)C2)c1,CI,0
c1cnc2nc3n(c2c1)CSC3,CI,0
CC1(C)SCc2nc3ncccc3n21,CI,0
Cl.O=C1OC(CCCl)(c2ccccc2)CC1CN1CCOCC1,CI,0
Cl.O=C1OC(c2ccccc2)CC1CN1CCOCC1,CI,0
COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C3OC(c4ccccc4)OC32)C1O,CI,0
Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5OC5OC(C)C(O)C(O)C5O)c4c4oc(=O)c1c2c34,CI,0
CC(C)(C)OC(=O)N1N=NC2C3CC(=O)C(O3)C21,CI,0
CC(C)COC(=O)N1N=NC2C3CC(=O)C(O3)C21,CI,0
CC(C)(C)OC(=O)N1N=NC2C3OC(CC3=O)C21,CI,0
CC(C)COC(=O)N1N=NC2C3OC(CC3=O)C21,CI,0
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCNCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,CI,0
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,CI,0
O=C(Nc1nc(O)c2c(ncn2CCNCCn2cnc3nc(NC(=O)c4ccccc4)nc(O)c32)n1)c1ccccc1,CI,0
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21)CCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21,CI,0
N=c1ccn(CCNCCn2cnc3nc(N)nc(O)c32)c(=O)[nH]1,CI,0
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(=N)[nH]c1=O)CCn1cnc2nc(N)nc(O)c21,CI,0
CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(C)(C)OC(=O)N1N=NC2C1C1CC(OCc3ccccc3)(OCc3ccccc3)C2O1,CI,0
c1ccc(COC2(OCc3ccccc3)CC3OC2C2N=NNC32)cc1,CI,0
CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3,CI,0
CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C,CI,0
CCOC(=O)c1c(O)nc2sc3ccccc3n2c1=O,CI,0
NC(=O)c1cnc2sc3ccccc3n2c1=O,CI,0
CCc1occc(=O)c1O,CI,0
CCc1c(OC)oc(CCCCCCCCCC(C)C(C)=O)c(C)c1=O,CI,0
CCOC1CC2OC(=O)C1C=C2C(=O)OC,CI,0
COC(=O)C1=CC2C(=O)OC1CC2C#N,CI,0
CC1(C)OC2OC(C(O)COC(=O)c3ccccc3)C(F)C2O1,CI,0
CC1(C)OC2OC(C(O)COC(=O)c3ccccc3)C(Cl)C2O1,CI,0
CN(C)CC1CCCC1=NOC(=O)c1ccccc1.Cl,CI,0
C[N+](C)(C)CC1CCCC1=NOC(=O)c1ccccc1.[I-],CI,0
O=[N+]([O-])c1ccc(NCCSSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=C(O)C(CSSCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC2CC2)c1,CA,1
Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)C2CC2)c1,CA,1
CN1CCCC(O)C1CNC12CC3CC(CC(C3)C1)C2.Cl,CI,0
CN(CC1NCCCC1O)C12CC3CC(CC(C3)C1)C2,CI,0
Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH],CM,1
COc1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1-c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1OC.[NaH],CM,1
O=C1c2ccccc2C2(O)Nc3cc(O)ccc3C12O,CI,0
COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O,CI,0
COc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1,CI,0
COc1ccc(NC(=O)CC(=O)NN=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2)cc1,CI,0
O=C(NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)OCc1ccccc1,CI,0
CC1(CO)OC(n2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)[nH]c2=O)CC1O,CI,0
O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccccc4)n3)o2)cc1,CI,0
Cc1ccc(Nc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)cc1,CI,0
C=C(C)C1CC2C(C)=C(OC(C)=O)C1n1c(=O)c3cc4ccccc4cc3c(=O)n12,CI,0
CC(C)C12C=CC(C)(CC1)n1c(=O)c3cc4ccccc4cc3c(=O)n12,CI,0
COC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OC)C12C(=O)OC,CI,0
CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OCC)C12C#N,CI,0
CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)C2(O)CCCC12C(=O)OCC,CI,0
CCOC(=O)C12CCCC1(O)N(NC(=O)c1cccc(Cl)c1)C(C)=C2C(=O)OC,CI,0
O=C1C=C(Nc2ccccc2C(=O)c2ccccc2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2C1=O,CI,0
O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2C1=O,CI,0
Cc1ccnc(NS(=O)(=O)c2ccc(NC3=CC(=O)C(=O)c4ccccc43)cc2)n1,CI,0
CC(=O)C=Cc1ccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)cc1,CI,0
COc1cccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O,CI,0
CN(C)c1ccc(C=c2sc3nnc(-c4ccco4)n3c2=O)cc1,CI,0
O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nnc(-c3ccco3)n12,CI,0
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(CC(C(=O)Nc1ccccc1C)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1C,CI,0
COc1ccccc1NC(=O)C(CC(C(=O)Nc1ccccc1OC)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1nc(Nc2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1cccc(-c2nnc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n23)c1,CI,0
Cc1ccc(-c2nnc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n23)cc1,CI,0
O=C(Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1)c1ccccc1,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NC(=O)c4ccccc4)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
O=C(Nc1ccn(CCOC(=O)c2ccccc2)c(=O)n1)c1ccccc1,CI,0
COc1ccc(C(=O)Nc2ccn(CCOC(=O)c3ccc(OC)cc3)c(=O)n2)cc1,CI,0
O=C(Nc1ccn(CCO)c(=O)n1)c1ccccc1,CI,0
C=CCOCn1ccc(NC(=O)c2ccccc2)nc1=O,CI,0
O=C(Nc1nc(O)c2c(ncn2CCOC(=O)c2ccccc2)n1)c1ccccc1,CI,0
O=C(Nc1nc(S)c2c(ncn2CCOC(=O)c2ccccc2)n1)c1ccccc1,CI,0
COc1ccc(-c2[nH]c(=N)n(C)c2SSc2c(-c3ccc(OC)cc3)[nH]c(=N)n2C)cc1.Cl,CI,0
Cl.Cn1c(SSc2c(-c3ccc(Cl)cc3)[nH]c(=N)n2C)c(-c2ccc(Cl)cc2)[nH]c1=N,CI,0
CCOc1ccccc1NC(=O)C=C1NC(=O)CS1,CI,0
O=C(C=C1NC(=O)CS1)Nc1ccccc1,CI,0
CCCCNC1=C(C(=O)OCC)C(=NNC(=O)c2ccccc2O)CO1,CI,0
CCOC(=O)C1=C(NC)OCC1=NNC(=O)c1ccccc1O,CI,0
CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OCC1=NNS(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)OCC1=NNS(=O)(=O)c1ccc(C)cc1,CI,0
CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OCC1=NNC(=O)Cc1ccccc1,CI,0
CCOC(=O)C1=C(Nc2ccccc2)OCC1=NNC(=O)Cc1ccccc1,CI,0
O=C1C=CC(=CC(O)COC(=O)c2ccccc2)O1,CI,0
CC(=O)OC(C=C1C=CC(=O)O1)COC(=O)c1ccccc1,CI,0
CC1=NOC(=O)C1=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC1=NOC(=O)C1=Cc1ccccc1O,CI,0
CC(=O)c1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)C=C2,CI,0
CCOC(=O)C1=CCOc2cc(N(C)C)ccc21,CI,0
COc1cc(N=Nc2ccccc2C(=O)O)cc(C=NNC(=O)c2cccnc2)c1O,CI,0
COc1cc(N=Nc2ccccc2)cc(C=NNC(=O)c2cccnc2)c1O,CI,0
CCCC[Sn]1(CCCC)OCC(COc2c(Cl)cc(Cl)cc2Cl)O1,CI,0
C[Sn]1(C)OCC(COc2cc(Cl)c(Cl)cc2Cl)O1,CI,0
N=C(NNS(=O)(=O)c1ccccc1)Oc1ccc(Br)cc1Br,CI,0
N=C(NNS(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1,CI,0
O=C(C=Cc1c(O)ccc2ccccc12)c1cccc2ccccc12,CI,0
O=C(C=Cc1cccc2ccccc12)c1cccc2ccccc12,CI,0
O=C1Nc2cc(Cl)ccc2N=CC1NC(=O)C(c1ccccc1)c1ccccc1Cl,CI,0
O=C1Nc2ccccc2N=CC1NC(=O)C(c1ccccc1)c1ccccc1,CI,0
Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccccc1,CI,0
Cl.O=C1C(=Cc2ccc(Cl)c(Cl)c2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccc(Cl)c(Cl)c1,CI,0
COc1cc(O)c2c(c1)OC1OCCC21,CI,0
COc1c(I)c(OC)c2c(c1I)OC1OCCC21,CM,1
CC1(C)Oc2ccccc2[N+]([O-])=C1c1ccccc1,CI,0
[O-][N+]1=C(c2ccccc2)COc2ccccc21,CI,0
CN1C(=O)C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C1=O)C1C(=O)N(C)C(=O)C31,CI,0
O=C1NC(=O)C2C1C1C=C3c4ccccc4N(c4ccccc4)C32C2C(=O)NC(=O)C12,CI,0
CC(=Nc1ccccc1S)c1c(O)ccc2c(C)cc(=O)oc12,CI,0
CC(=Nc1ccccc1C(=O)O)c1c(O)ccc2c(C)cc(=O)oc12,CI,0
CC(C)C1COC2CCC(=O)N21,CI,0
CC(C)C1COC2(C)CCC(=O)N12,CI,0
NC(=O)OCC(COc1ccc(Cl)cc1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0
NC(=O)OCC(COc1ccc(Cl)cc1)OC(=O)c1ccccc1Cl,CI,0
Cl.O=C1OC(O)C(Oc2c(Cl)cccc2Cl)=C1Cl,CI,0
Cl.O=C1OC(O)C(Oc2ccc(Cl)cc2)=C1Cl,CI,0
Cc1ccc(S(=O)(=O)NC2CCCCO2)cc1,CI,0
O=S(=O)(NC1OCCCC1I)c1ccccc1,CI,0
CC1CCCC(C(=O)C(=Cc2cccc(Cl)c2)C(=O)C(=O)O)C1,CI,0
O=C(C=Cc1ccc(Cl)c(Cl)c1)C1CCC(Cl)CC1,CI,0
CC(C)(C)c1ccc(OC2CCO2)cc1,CI,0
Clc1ccc(OC2CCO2)cc1Cl,CI,0
Cc1c2ccnc(O)c2cc2c(=O)c3cnccc3[nH]c12,CI,0
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c(=O)c3cc12,CI,0
COc1ccc(C2(O)c3c(ccc(O)c3OC)C2OC)c(OC)c1,CI,0
COc1cccc(C2(O)c3c(ccc(O)c3OC)C2OC)c1OC,CI,0
NC(=O)Nc1cc(O)ccc1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CI,0
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,CI,0
O=C(Nc1ccc(Cl)cc1Cl)C(Cl)=C1Sc2ccccc2NC1=O,CI,0
CC(C)c1ccccc1NC(=O)C(Cl)=C1Sc2ccccc2NC1=O,CI,0
COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(OC(C)=O)=C(C)C2,CI,0
COc1c2c3c4c(c(OC)c(=O)c5c(O)c(Br)c(OC)c(c6c(OC)c(Br)c(O)c(c1=O)c36)c54)C(C(C)=O)=C(C)C2,CI,0
Nn1c(NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)n[nH]c1=S,CI,0
Nn1c(NN=C2C(=O)Nc3ccccc32)n[nH]c1=S,CI,0
O=C1Nc2ccccc2C1=NNC(=O)c1ccccc1O,CI,0
Nc1ccccc1C(=O)NN=C1C(=O)Nc2ccccc21,CI,0
N#CC(C(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
N#CC(C(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccccc1)c1ccccc1,CI,0
COC(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccccc1,CI,0
COC(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Cl)cc1,CI,0
COC(=O)C(=NNc1nnc(C)n1N)C(C#N)c1ccc(Cl)cc1,CI,0
COC(=O)C(=NNc1nnc(C)n1N)C(C#N)c1ccccc1,CI,0
COC(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccc(Cl)cc1,CI,0
COC(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccccc1,CI,0
Cc1nnc(NN=C2C(=O)Nc3ccccc32)n1N,CI,0
Cc1nnc(NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)n1N,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1cccc2ccccc12,CI,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc2ccccc12,CI,0
Cc1nnc(NN=C(C(=O)C(C#N)c2ccc(Cl)cc2)C(C#N)c2ccc(Cl)cc2)n1N,CI,0
Cc1nnc(NN=C(C(=O)C(C#N)c2ccccc2)C(C#N)c2ccccc2)n1N,CI,0
O=C1c2ccccc2CC1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21,CI,0
Cc1c(Cl)ccc2c1NC(=O)C2(O)C1Cc2ccccc2C1=O,CI,0
O=C1CNC(=O)c2c(ncn2C2OC(CO)CC2O)N1,CI,0
O=C1CNC(=O)c2c(ncn2C2OC(CO)C(O)C2O)N1,CI,0
[O+]#C[Cr](C#[O+])(C#[O+])(C#[O+])(C#[O+])[PH]1(c2ccccc2)C2C=CC=CC1C=C2,CI,0
C1=CC2C=CC(C=C1)P2c1ccccc1,CI,0
CC(C)Cc1cnc(CC(C)C)c(-c2cc3ccccc3[nH]2)n1,CI,0
Cc1cnc(C)c(-c2cc3ccccc3[nH]2)n1,CI,0
c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,CI,0
[Pt].c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,CI,0
O=C([OH+][Mo+2]1234(C#[O+])(C#[O+])(C#[O+])C5=C1[C-]2C3=C54)C(F)(F)F,CI,0
CS[CH-][Mo+2]1234(C#[O+])(C#[O+])(C#[O+])C5=C1[C-]2C3=C54,CI,0
C#CCNC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
C#CCN(N=O)C(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(CCc4ccc(N=Nc5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c12.[NaH],CA,1
Nc1c(N=Nc2ccc(CCc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[NaH],CA,1
CC12COC(C)(CC(S(=O)(=O)c3ccccc3)C1)O2,CI,0
CCC1OC2(C)CC(S(=O)(=O)c3ccccc3O)CC1O2,CI,0
O=C1CC23CCCC2(C1)CC(=O)C3,CI,0
COC(=O)C1C(=O)C(C(=O)OC)C23C(C)CCC12C(C(=O)OC)C(=O)C3C(=O)OC,CI,0
CCOc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NOCCCc2ccccc2)cc1,CI,0
Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NOCCCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl)c(C)[n+]2[O-],CI,0
Cc1c(C(=O)CC(=NNC(=O)C[n+]2ccccc2)C(=O)Nc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-].[Cl-],CI,0
Cc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NNC(=O)C[n+]2ccccc2)cc1.[Cl-],CI,0
CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2,CI,0
COCCN(CCOC)C(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)C2,CI,0
CCN(CC)c1c(C)nnc2c(C)c(-c3ccccc3)nn12,CI,0
COc1cnnc2c(C)c(-c3ccccc3)nn12,CI,0
COc1ccc2cc3c4cc(OC)c(OC)cc4ccn3c2c1,CI,0
COc1cc2ccn3c4cc(OC)c(OC)cc4cc3c2cc1OC,CI,0
COc1ccc2cc3n(c2c1)CCc1cc(OC)c(OC)cc1-3,CI,0
COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3n1CC2,CI,0
COc1ccc2c(c1)N1CCc3cc(OC)c(OC)cc3C1C2,CI,0
COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3N1CC2,CI,0
COc1ccc(C=Cc2nc(=S)[nH][nH]2)cc1OC,CI,0
S=c1nc(C=Cc2ccc(Cl)c(Cl)c2)[nH][nH]1,CI,0
CC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(O)C2C3(C)OC3CC(OC(C)=O)C2(C)C1OC(C)=O,CI,0
CCCC(=O)OC1C(OC(C)=O)CC(C)=CC2OC(=O)C3(C)OC23C(O)C2C3(C)OC3CC(OC(C)=O)C12C,CI,0
CC1CC2OC(=O)C(C)C2CC2(C)C(O)CC(O)C12,CI,0
CC(=O)OC1CC(OC(C)=O)C2(C)CC3C(CC(C)C12)OC(=O)C3C,CI,0
COc1ccc(CC2(Cc3ccc(OC)cc3)CCOC2=O)cc1,CI,0
O=C1OCCC1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1,CI,0
C#Cc1cccc(N2C(=O)CCC2=O)c1,CI,0
Nc1cc(Cl)ccc1N1C(=O)CCC1=O,CI,0
N#CC(c1ccccn1)c1nc2ccccc2[nH]1,CI,0
Cn1c(C(C#N)c2ncccc2[N+](=O)[O-])nc2ccccc21,CI,0
O=C1CCC(c2nc3ccccc3o2)C(=O)N1,CI,0
O=C1CCC(c2nc3cc(Cl)ccc3o2)C(=O)N1,CI,0
O=C1NC(=O)C2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1,CI,0
O=C1C2C(C(=O)N1O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1,CI,0
O=c1c(=Cc2c(O)ccc3ccccc23)sc2nc3ccccc3n12,CI,0
O=c1c(=Cc2cccc3ccccc23)sc2nc3ccccc3n12,CI,0
CCOC(=O)C1Sc2ccccc2N=C1C,CI,0
CCOC(=O)CC1=Nc2ccccc2SC1,CI,0
CC(C)(C)OC(=O)N1CCCCC(CCCC#Cc2ccccc2)C1=O,CI,0
O=C1NCCCCC1CCCC#Cc1ccccc1,CI,0
CC(=O)NC1C(=O)N(C(COCc2ccccc2)c2ccccc2)C1COC(C)(C)C,CI,0
CC(C)(C)OCC1N(C(COCc2ccccc2)c2ccccc2)C(=O)C1(C)C,CI,0
NC1=c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2=NS(=O)(O)=N1,CI,0
NC1=c2nc(-c3ccccc3)c(-c3ccccc3)nc2=NS(=O)(O)=N1,CI,0
c1ccc([N+]2=N[NH+](c3ccccc3)[Mo+2]23456C2=C3[C-]4C5=C26)cc1,CI,0
[O+]#[N+][Mo+2]12345([I-])(C6=C1[C-]2C3=C64)[N+](c1ccccc1)=N[NH+]5c1ccccc1,CI,0
Cn1c2c(c3ccccc31)CCN(CCCCN1CCN(c3ccccc3)CC1)C2=O,CI,0
Cn1c2c(c3ccccc31)CCN(CCCCN1CCN(c3cccc(Cl)c3)CC1)C2=O,CI,0
CN(C)CCCCN1CCc2c(n(C)c3ccccc23)C1=O,CI,0
CN(C)CCCCN1CCc2c(n(C)c3ccccc23)C1=O.Cl,CI,0
Cl.Cn1c2c(c3ccccc31)CCN(CCCN1CCN(c3ccccc3)CC1)C2=O,CI,0
Cn1c2c(c3ccccc31)CCN(CCCN1CCN(c3cccc(Cl)c3)CC1)C2=O,CI,0
Cn1c2c(c3ccccc31)CCN(CCN1CCN(c3ccccc3)CC1)C2=O,CI,0
Cn1c2c(c3ccccc31)CCN(CCN1CCN(c3cccc(Cl)c3)CC1)C2=O,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cccnc2S1,CI,0
CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)c2cccnc2S1,CI,0
CCCC[Sn]1(CCCC)OC(=O)c2cccnc2O1,CI,0
CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)c2cccnc2O1,CI,0
Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C(C#N)=Cc1ccccc1,CI,0
Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C(Cl)=Cc1ccccc1,CI,0
c1ccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)cc1,CI,0
Clc1cccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)c1,CI,0
O=C(CCN1CCN(c2ccccc2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
c1ccc(N2CCN(CCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)cc1,CI,0
Clc1cccc(N2CCN(CCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)c1,CI,0
O=C(CN1CCN(c2ccccc2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3cc12,CI,0
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3cc12,CI,0
C#Cc1cccc(N2C(=O)C3C4C=CC(C3C2=O)C2C(=O)N(c3cccc(C#C)c3)C(=O)C42)c1,CI,0
N#Cc1cccc(N2C(=O)C3C4C=CC(C3C2=O)C2C(=O)N(c3cccc(C#N)c3)C(=O)C42)c1,CI,0
O=C(NC(=O)c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1,CI,0
Cc1nc2sccn2c1C(=O)NC(=O)Nc1ccc(Cl)cc1,CI,0
CSC(=NC(=O)c1ccccc1Cl)SCCSC(=NC(=O)c1ccccc1Cl)SC,CI,0
CSC(=NC(=O)c1ccccc1)SCCSC(=NC(=O)c1ccccc1)SC,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)OCC(O)C(O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc3ccccc3)C(C=O)NC(C)=O)c2c1,CI,0
CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)C(O)C(O)COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC,CI,0
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC,CI,0
COC12CC3CCC(C(C)c4ccc5c(c41)CC1C5CC(O)C4CC(O)CCC41C)N2C3,CI,0
CC1c2ccc3c(c2C2(O)CC4CCC1N2C4)CC1C3CC(O)C2CC(O)CCC21C,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)ccc(Cl)c34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)n1,CI,0
NC(=O)C(=O)NN=C(CC1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1,CI,0
O=C1Nc2ccccc2C1(O)CC(=NO)c1ccc2ccccc2c1,CI,0
O=C(NC1C(=O)NNC1c1cccc([N+](=O)[O-])c1)c1ccccc1,CI,0
O=C(NC1C(=O)NNC1c1ccccc1Cl)c1ccccc1,CI,0
O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccncc1,CI,0
O=C(Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl)c1ccncc1,CI,0
CC1OC(n2cc(F)c(=O)[nH]c2=O)C=CC1O,CI,0
CC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C=CC1O,CI,0
Cl.O=C(C=Cc1ccco1)N1CCN(Cc2ccccc2)CC1,CI,0
Cl.O=C(C=Cc1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccccc2)CC1,CI,0
Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C)CC1,CI,0
O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1,CI,0
CCCCCCCCCCCc1c2oc3ccc([N+](=O)[O-])cc3nc-2cc(Nc2cc([N+](=O)[O-])ccc2O)c1=O,CI,0
CCCCCCCCCCCc1c2oc3ccccc3nc-2cc(Nc2ccccc2O)c1=O,CI,0
COC1=CC23C=CC1C(c1ccccc1)C2=C(C)C(=O)N3C(=O)NC1CCCCC1,CI,0
CC1=C2C(c3ccccc3)C3C=CC2(C=C3C(F)(F)F)N(C(=O)NC2CCCCC2)C1=O,CI,0
COc1ccc(C(=NNC(=O)C(N)=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cccc32)cc1,CI,0
COc1ccc(C(=NNC(=O)NN)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1,CI,0
CCc1cccc(NC(=O)c2cc(C=Cc3ccccc3)nc(S)n2)c1,CI,0
Cc1ccc(C(=O)O)cc1NC(=O)c1cc(C=Cc2ccccc2)nc(S)n1,CI,0
O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc([N+](=O)[O-])cs1,CI,0
O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1,CI,0
CCCCNC1CCCCCC1O.Cl,CI,0
C#CC1CCCCCC1O,CI,0
COC(=O)C1CC(Sc2ccccc2)C(=O)C(C(=O)OC)C1,CI,0
COC(=O)C1CCC(=O)C(Sc2ccccc2)C1,CI,0
FC1OC2OC1C(OCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1,CI,0
c1ccc(COC2C3COC(O3)C(OCc3ccccc3)C2OCc2ccccc2)cc1,CI,0
Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)CC2(O)c2ccccc2)cc1,CI,0
N#CCCN(CCC#N)c1ccc(C=C2CC(O)(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1,CI,0
Cc1cc(CS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])c(CS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])cc1C,CI,0
O=S(=O)(C=Cc1ccc(Cl)cc1Cl)Cc1ccccc1CS(=O)(=O)C=Cc1ccc(Cl)cc1Cl,CI,0
O=C(Cc1ccccc1)Nc1ccccc1Cl,CI,0
CC(O)(C(=O)N(O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0
O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)n1,CI,0
O=C(c1ccc(F)cc1)c1cccc(C(=O)c2ccc(F)cc2)n1,CI,0
CCOC(=O)C(c1ccccc1)c1cccc(C(C(=O)OCC)c2ccccc2)n1,CI,0
N#CC(c1ccc(Cl)cc1)c1cccc(C(C#N)c2ccc(Cl)cc2)n1,CI,0
O=C1Nc2ccccc2C1(O)Cc1ccccn1,CI,0
CSC1(Cc2ccccn2)C(=O)Nc2cccc([N+](=O)[O-])c21,CI,0
O=S1c2ccccc2N=C(c2ccc3ccccc3c2)CC1c1ccccc1F,CI,0
O=S1c2ccccc2N=C(c2ccc3ccccc3c2)CC1c1ccccc1,CI,0
Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NNC(=O)c2ccccc2O)C1=O,CI,0
Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NNC(=O)c2ccccc2O)C1=O,CI,0
CC(O)C(C(=O)[O-])[N+]1=Cc2ccccc2[OH+][Co-2]12[OH+]c1ccccc1C=[N+]2C(C(=O)[O-])C(C)O,CI,0
CC(C)(CO)[N+]1=Cc2ccccc2[OH+][Co-2]12[OH+]c1ccccc1C=[N+]2C(C)(C)CO,CI,0
O=S(=O)([O-])c1ccc([N+]2=Cc3ccccc3[OH+][Co-2]23[OH+]c2ccccc2C=[N+]3c2ccc(S(=O)(=O)[O-])cc2)cc1,CI,0
O=S(O)(=[OH+])c1ccc2c(c1)[OH+][Co-2]1([OH+]c3cc(S(=O)(O)=[OH+])ccc3C=[N+]1c1ccccc1)[N+](c1ccccc1)=C2,CI,0
[K+].[N-]=[N+]=[NH+][Co-4]1([NH+]=[N+]=[N-])([NH+]=[N+]=[N-])([NH+]=[N+]=[N-])NCCN1,CI,0
O=[N+]([O-])[Co-4]1([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])NCCN1.[K+],CI,0
CCC1CC(C)=CCN1S(=O)(=O)c1ccc(C)cc1,CI,0
CCC1C(C)C=CC(C)N1S(=O)(=O)c1ccc(C)cc1,CI,0
N=C1NCC(c2ccccn2)C1c1ccc(F)cc1,CI,0
COc1ccc(C2C(=N)NCC2c2ccccn2)cc1,CI,0
COc1ccc(C23C(=O)c4ccccc4N2OC2C(=O)N(c4ccccc4)C(=O)C23)cc1,CI,0
O=C1C2ON3c4ccccc4C(=O)C3(c3ccccc3)C2C(=O)N1c1ccccc1,CI,0
O=C(Cc1ccccc1[N+](=O)[O-])C(CO)c1ccccc1[N+](=O)[O-],CI,0
CCCCOC(=O)C(=O)C(CC(C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C,CI,0
O=C1C(=NO)C2CCC1C2,CI,0
CC(C)(C)N=C1C(=O)C2(C)CCC1C2(C)C,CI,0
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,CI,0
CC(=O)OCC1OC(c2c(OC(C)=O)cc(C)c3c(=O)cc(C(C(C)=O)=C(C)O)oc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1CSCC(OC(C)=O)C1[N+](=O)[O-],CI,0
COC1SCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O,CI,0
COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O,CI,0
CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O,CI,0
O=CCC1C(=O)CC2CCCC21,CI,0
CCC(CCCCC1CCC2CC(=O)CC12)OC,CI,0
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4ccccc4)C(=O)O)[SH+][Ni-2]23[SH+]1,CI,0
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4ccc(O)cc4)C(=O)O)[SH+][Ni-2]23[SH+]1,CI,0
COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(Cl)c(C(=O)OC(C)C)c1,CI,0
C=CCc1ccccc1N(C(=O)c1ccccc1)C(C(=O)OCC)c1ccccc1,CI,0
CC1=NC(=Cc2c(O)ccc3ccccc23)C(=O)O1,CI,0
CC1=NC(=Cc2cccc3ccccc23)C(=O)O1,CI,0
COc1nc2c(c(O)c(C)c(=O)n2OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C,CI,0
COc1nc2c(c(O)c(C)c(=O)n2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C,CI,0
COc1ccc2c3c1OC1(C)C4(OC)C=CC5(CC4C(C)(C)O)C(C2)N(C)CCC351,CI,0
COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(C)=O)C(C2)N(C)CCC315,CI,0
O=C1N(c2ccccc2)C(=O)C2(SC=NN2Cc2ccccc2)N1c1ccccc1,CI,0
O=C1N(c2ccc(Cl)cc2)C(=O)C2(SC=NN2Cc2ccccc2)N1c1ccc(Cl)cc1,CI,0
O=C(Nc1nc2ccccc2[nH]1)C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
Cn1c(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21,CI,0
O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0
O=Cc1ccc(-c2cccs2)s1,CI,0
Cl.NCc1ccc(-c2ccc(CN)s2)s1,CM,1
COC(=O)C12C=CC(=O)C3CC(C(C(C)C)C1)C32OC,CI,0
COC(=O)C12CC(C(C)C)C3CC(C(=O)C=C1OC)C32,CI,0
CCOC(=O)NC(=O)c1cn(C(CC)COC(=O)NCCCCCCNC(=O)OCC(CC)n2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0
CCOC(=O)NC(=O)c1cn(CCOC(=O)NCCCCCCNC(=O)OCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0
COCC1OC2(CCCC2O)OC1COC,CI,0
C=CC(C)C1(C(=O)OC)CCCC12OCCO2,CI,0
OCC1OC2(CCCC3CC32)OC1CO,CI,0
COC(=O)C1OC2(CCCC3CC32)OC1C(=O)OC,CI,0
COc1ccc(NC(=O)CCc2cc(C(C)(C)C)[nH]n2)cc1,CI,0
CCc1cc(CCC(=O)Nc2c(C)cccc2C)n[nH]1,CI,0
O=C(CCc1cc(-c2ccccc2)nc(S)n1)Nc1ccccc1[N+](=O)[O-],CI,0
COc1ccc(NC(=O)CCc2cc(-c3ccc(O)c(OC)c3)nc(NC#N)n2)cc1,CI,0
Cc1cc(Cl)ccc1NC(=O)CCC(CC(=O)C(C)C)=NNC(=O)C[n+]1ccccc1.[Cl-],CI,0
Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C[n+]2ccccc2)cc1C.[Cl-],CI,0
N#CC1(c2nc3ccccc3o2)C(=O)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C1=O,CI,0
O=C1C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0
Cc1cc(Cl)ccc1NC(=O)CCCC(=O)C1CCCC1=NNC(=O)CC#N,CI,0
Cc1cccc(C)c1NC(=O)CCCC(=O)C1CCCC1=NNC(=O)C(=O)NN,CI,0
COC(=O)c1cccc2cccc(C(=O)Nc3ccc(Cl)cc3)c12,CI,0
COC(=O)c1cccc2cccc(C(=O)Nc3ccc(C)cc3C)c12,CI,0
COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)=NNc2nnc(C)n2N)ccc1O,CI,0
COc1ccc(NC(=O)CCC(CC(=O)c2ccccc2Cl)=NNc2nnc(C)n2N)cc1,CI,0
CC(C)CC(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=NNC(=O)c1cc2ccccc2cc1O,CI,0
CCC(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=NNC(=O)c1cc2ccccc2cc1O,CI,0
CC(C)=Cc1cc(C(=O)NCCNC(=O)c2cc(C=C(C)C)nc(NC#N)n2)nc(NC#N)n1,CI,0
CCc1nc(N)nc(C(=O)NCCNC(=O)c2nc(N)nc(CC)c2C)c1C,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)CCC(=O)Nc1cccc(Cl)c1,CI,0
N=C1NN(c2ccccc2)C(=O)C1C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1ccc(NC(=O)CCC(=O)C2Cc3ccccc3C2=O)cc1C,CI,0
O=C(CCC(=O)C1Cc2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1,CI,0
O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)o1,CI,0
O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)o1,CI,0
N#Cc1sc2nc3c(c(-c4ccccc4)c2c1N)CCCC3,CI,0
N#CNC(=N)c1sc2nc3c(c(-c4ccc(Br)cc4)c2c1N)CCCC3,CI,0
CCOP(=O)(OCC)C1CCCOC1=O,CI,0
COC1OC(=O)C(OC)C(OC)C1OC,CI,0
Cc1cc(Br)ccc1N=Nc1c(C)nn(-c2ccccc2)c1-c1ccccc1,CI,0
Cc1ccc(N=Nc2c(C)nn(-c3ccccc3)c2-c2ccccc2)c(Br)c1,CI,0
Cl.c1ccc(CNc2ccc3[nH]c4cnccc4c3c2)cc1,CM,1
Cl.OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12,CI,0
COC(=O)c1c(CC(=O)O)oc2c1CCCC2,CI,0
C=C(CCCC(C)=CC=CC1(C)CCCc2ccoc21)CC(=O)O,CI,0
NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cc2c(=O)c3ccccc3[nH]c12,CI,0
N#Cc1c(-c2ccccc2)c(-c2ccccc2)cc2c(=O)c3ccc(Cl)cc3[nH]c12,CI,0
NC(=O)c1c2c(cc3c(=O)c4ccccc4[nH]c13)CCCC2,CI,0
O=C(O)c1c2c(cc3c(=O)c4ccccc4[nH]c13)CCCC2,CI,0
Cc1cc2c(=O)cc(-c3cccs3)oc2c(C(=O)O)c1C,CI,0
COc1c(-c2cccs2)oc2c(CC(=O)O)cccc2c1=O,CI,0
C=C(C)C1CC2=C(O1)C(=O)c1ccccc1C2=O,CI,0
C=C(C)C1CC2=C(O1)C(=O)c1cccc(O)c1C2=O,CI,0
COc1ccc2c(c1OC)C(=O)c1cc(C(C)O)oc1C2=O,CI,0
COc1ccc2c(c1OC)C(=O)c1ccoc1C2=O,CI,0
C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccccc1,CI,0
C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(OC)cc1,CI,0
CN1CCc2cc3c4cc2C1Cc1ccc(cc1)Oc1cc(ccc1O)CC1c2c(cc(O)c(c2O4)O3)CCN1C,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)C(C2)N(C)CC3,CI,0
CN1CCc2cc(O)c3cc2C1Cc1ccc(cc1)Oc1cc(ccc1O)CC1c2c(cc4c(c2O3)OCO4)CCN1C,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c3c(cc4c1C(C2)N(C)CC4)OCO3,CI,0
Cc1cc(O)c2c(c1)C(C13Cc4cc(O)c5c(c4C1C=CC(O)C3O)C(=O)c1cccc(O)c1C5=O)OC2=O,CI,0
Cc1cc(O)c2c(c1)C(C13Cc4cc(O)c5c(c4C1C=CC(O)C3O)C(=O)c1c(O)ccc(O)c1C5=O)OC2=O,CI,0
Clc1ccccc1C(n1cc(Br)cn1)n1cc(Br)cn1,CI,0
Clc1ccc(C(n2cc(Br)cn2)n2cc(Br)cn2)cc1,CI,0
O=c1c2ccccc2[nH]c2ccc3c(Cl)n[nH]c3c12,CI,0
Cn1ncc2ccc3[nH]c4ccccc4c(=O)c3c21,CI,0
O=C1CCCCC(=O)Nc2ccccc2-c2ccccc2N1,CI,0
CCN1C(=O)CCCCC(=O)Nc2ccccc2-c2ccccc21,CI,0
O=C1CCC(=O)Nc2ccccc2-c2ccccc2N1,CI,0
CN(C)CCCN1C(=O)CCC(=O)Nc2ccccc2-c2ccccc21,CI,0
O=C1CCCC1=Cc1ccccc1,CI,0
CC1(C)C(=O)C(=Cc2ccccc2)C(C)(C)C1(C)C,CI,0
CC1=CCCC2(C)C(CCC2C(C)C=CC(C)C)c2ccc(cc2C(=O)O)CC(O)CC1,CI,0
CC(=O)OC1CCC(C)=CCCC2(C)C(CCC2C(C)C=CC(C)C)c2ccc(cc2C(=O)O)C1,CI,0
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)C3c3ccoc3)C12C,CI,0
CCOC1=C2C(C)(CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C23C)C(c2ccoc2)C1=O,CI,0
CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)OC3(C)CC2=C(O)C1=O,CI,0
CC(=O)OC1=C2CC3(C)OC(=O)CC(C)(C)C3=CC=C2C=C(C(C)C)C1=O,CI,0
O=C(O)C1C(c2ccccc2)C=CC(c2ccccc2)C1C(=O)O,CI,0
N#CC1(C#N)C(c2ccccc2)C=CC(c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N,CI,0
O=C1C=CC(=O)OCCCC(=O)C=CC(=O)OCCC1,CI,0
CC(=O)CC1CCC(=O)C=CC(=O)OC(CC(C)=O)CCC(=O)C=CC(=O)O1,CI,0
O=C(O)C1Cc2nc[nH]c2CN1,CI,0
O=C(O)CCC1(C(=O)O)NC(C(=O)O)Cc2nc[nH]c21,CI,0
CC(=O)OC1(C)OC(=O)C(C)N1[N+](=O)[O-],CI,0
CC(=O)OC1(C)OC(=O)C(CC(C)C)N1[N+](=O)[O-],CI,0
COc1nc(N)c(NC2OC(CO)C(O)C(O)C2O)c(=O)n1C,CI,0
COc1nc(N)c(NC2OCC(O)C(O)C2O)c(=O)n1C,CM,1
COc1nc2c(nnn2C2OCC(O)C(O)C2O)c(=O)n1C,CI,0
COc1nc2c(nnn2C2OC(CO)C(O)C(O)C2O)c(=O)n1C,CI,0
O=C(O)C(=Cc1ccccc1Cl)S(=O)(=O)c1ccccc1,CI,0
COC(=O)c1ccc(C=CS(=O)(=O)c2ccccc2)cc1,CI,0
C=CCC1(C)CCCCC1(O)CS(=O)c1ccccc1,CI,0
O=S(CC1(O)CCCCC1)c1ccccc1,CI,0
CC12CCC3C(CCC4(C=N)CC(=O)CCC34C)C1CCC2O,CI,0
COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CI,0
CC1=C2C(O)C(C(C)CO)C(O)CC2(C)C(O)CC1,CI,0
C=C(C)C1CC=C2C(O)CC(O)C(C)C2(C)C1,CI,0
CC(=O)OCC1C(OC(C)=O)CC2OC(=O)CC21,CI,0
CCC1(O)CC2CC(=O)OC2C1O,CI,0
O=C1C=C(c2c(O)ccc3ccccc23)c2ccccc2C1=O,CI,0
O=C1C=C(c2c(O)ccc3ccccc23)c2cc(O)ccc2C1=O,CI,0
COc1ccc2c(c1OC)CN(C)CCc1cc3c(c(OC)c1C(=O)C2)OCO3,CI,0
COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3,CI,0
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(OC)n(C)c2=O)c(=O)n1C,CI,0
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(SC)n(C)c2=O)c(=O)n1C,CI,0
COc1nc(O)c(N=CC=Nc2c(O)nc(OC)nc2NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n1,CI,0
CSc1nc(O)c(N=CC=Nc2c(O)nc(SC)nc2NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n1,CI,0
NC(CCc1ncc(-c2ccccc2)s1)C(=O)O,CI,0
Cc1nc(N)c(-c2ccccc2)s1,CI,0
CCCC[Sn](CCCC)(Sc1cccc2cccnc12)Sc1cccc2cccnc12,CI,0
C=C[Sn](C=C)(Sc1cccc2cccnc12)Sc1cccc2cccnc12,CI,0
O=C1C=C(Br)c2c(-c3ccccc3)oc3cccc1c23,CI,0
O=C1C=Cc2c(-c3ccccc3)oc3cccc1c23,CI,0
COc1cc(O)c(C(=O)C2Cc3ccccc32)c(OC)c1,CI,0
O=C(c1c(O)cc(O)cc1O)C1Cc2ccccc21,CI,0
Cc1ccc2c(n1)C(N1CCOCC1)=CC(=O)C2=O,CI,0
Cc1ccnc2c1C(=O)C(=O)C=C2N1CCOCC1,CI,0
OCC1OC(n2ccc3cnccc32)CC1O,CI,0
OCC1OC(n2ccc3c(O)nccc32)CC1O,CI,0
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3N(C(=O)OC(C)(C)C(Cl)(Cl)Cl)CC2,CI,0
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3N(C(C)=O)CC2,CI,0
CCOC(=O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)OCC,CI,0
COc1ccc(C)cc1-c1ccc(-c2cc(C)ccc2OC)o1,CI,0
CCOC(=O)C1C=CC(C)C2CCCCC12N1CCCC1,CI,0
COC(=O)C1C=CCC2CCCCC21N1CCCC1,CI,0
C=CC1(O)CCCC2=C(C(=O)OCC)CCC21C,CI,0
CC1=C2CCC(O)CC2(C)C(O)C1C,CI,0
COCCN1C2=CCCCC2=Nc2c(N)nc(N)nc21,CI,0
COCCN1C2=CCCCC2=Nc2c(O)nc(N)nc21,CI,0
O=C1NC2CCCCCC2C12CCCCC2,CI,0
O=C1NC2C(O)CCCCC2C12CCCCC2,CI,0
O=C1NC2(CCCCC2)C2CCCCCC12,CI,0
O=C1NC2(CCCCC2)C2CCCCC(O)C12,CI,0
Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C#Cc1ccc([N+](=O)[O-])cc1.Cl,CI,0
O=C(C#Cc1ccccc1)N1c2ccccc2CC1c1c[nH]c2ccccc12,CI,0
CC(=O)OC12CCCCC1C1(CCCC1)NC2=O,CI,0
O=C1NC2(CCCC2)C2CCCCC12O,CI,0
CCCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CI,0
CC=CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CI,0
Cc1[nH]c2ccccc2c1C1CC(=O)NC1=O,CI,0
O=C1CC(c2c[nH]c3ccccc23)C(=O)N1,CI,0
O=C1CC(c2c[nH]c3ccccc23)C(=O)N1c1ccccc1,CI,0
COc1ccc(N2C(=O)CC(c3c[nH]c4ccccc34)C2=O)cc1,CI,0
OCc1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)c1CO,CI,0
O=C(O)c1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)c1C(=O)O,CI,0
COc1cc2c(cc1OC)C1C=NC(C(=O)O)(C2)c2ccccc21,CI,0
COc1cc2c(cc1OC)C1C=NC(C2)c2cc(OC)c(OC)cc21,CI,0
CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12c1ccccc1NC2c1ccc(OC)c(OC)c1,CI,0
CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12c1ccccc1N(C(C)=O)C2c1ccc(OC)c(OC)c1,CI,0
CCN(CC)c1ccc(N=C2C=C(Cl)C(=O)c3ncccc32)c(C)c1,CI,0
CCN(CC)c1ccc(N=C2C=CC(=O)c3ncccc32)c(C)c1,CI,0
CCN(CC)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)c(C)c1,CI,0
CN(C)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)cc1,CI,0
CC(=O)OC1CCC2C3CCC4Nc5c(cnn5-c5ccccc5)CC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4Nc5c(cnn5-c5ccccc5)CC4(C)C3CCC12C,CI,0
CC(=O)OC1CCC2C3CCC4Nc5[nH]ncc5CC4(C)C3CCC12C,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4Nc5[nH]ncc5CC4(C)C3CCC12C,CI,0
CC12CCC3C(CCC4=CC(=O)CCC43C)C1CC(C#N)C(=O)N2,CI,0
CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCC(=O)N2,CI,0
CC12CCC3C(CCC4=CC(=O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2,CI,0
CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cn[nH]c5NC4(C)CCC32)C1,CI,0
CC12CCC3C(CC=C4CC(O)CCC43C)C1Cc1cn[nH]c1N2,CI,0
COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21,CI,0
N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3[n+]([O-])c3ccccc23)cc1,CI,0
O=C1CC23CCCCCCCCCCC2(C1)CC(=O)C3,CI,0
CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC12C(C(=O)OC(C)(C)C)C(=O)C3C(=O)OC(C)(C)C,CI,0
O=C(O)C1=C(O)C(C(=O)O)C23CCCCCCCCCCC12C(C(=O)O)C(O)=C3C(=O)O,CI,0
COC1=C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0
CCOC(=O)C(Cc1c(C=O)[nH]c2ccccc12)(NC(=O)c1ccccc1)C(=O)OCC,CI,0
C=C(CCC(=O)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1CSCC)C(=O)OC,CI,0
COC(=O)C(=O)OC1(C(C)=O)CC2(c3ccccc3)OC1(c1ccccc1)c1ccccc12,CI,0
CC(=O)OC1(C(C)=O)CC2(c3ccccc3)OC1(c1ccccc1)c1ccccc12,CI,0
CCOC1C2c3cc4c(cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4,CI,0
COC1C2c3cc4c(cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4,CI,0
COc1cc2c3c(c1OC)-c1cc4c(cc1CC3(C#N)N(C(=O)c1ccccc1)CC2)OCO4,CI,0
N#CC12Cc3cc4c(cc3-c3cccc(c31)CCN2C(=O)c1ccccc1)OCO4,CI,0
COc1cc2c3c(c1OC)-c1c(ccc4c1OCO4)CC3(C#N)N(C(=O)c1ccccc1)CC2,CI,0
N#CC12Cc3ccc4c(c3-c3cccc(c31)CCN2C(=O)c1ccccc1)OCO4,CI,0
O=C1C2C(C(=O)N1c1ccccc1)C1c3ccccc3C2C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
O=C1C2C(C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2(Br)C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
COc1cc2c3c(c1OC)-c1ccccc1C(C(OC(C)=O)c1ccccc1)C3N(C)CC2,CI,0
COc1cc2c3c(c1OC)-c1ccccc1C(C(O)c1ccccc1)C3N(C)CC2.Cl,CI,0
COC(=O)C1=C2CCC(=O)C2(C)C(OC(C)=O)C=CC1,CI,0
COC(=O)C1=C2CCC(=O)C2(C)CC(C)=C(C)C1,CI,0
N#CC1(Cc2ccccc2[N+](=O)[O-])c2ccccc2C2C(N1C(=O)c1ccccc1)C2(Cl)Cl,CI,0
COc1cc(Br)c(CC2(C#N)c3ccccc3C3C(N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC,CI,0
CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)CCC(C(C)O)=C2,CI,0
CCOc1c2c(cc3c1C(=O)c1c(OC)cccc1C3=O)C=C(OC)CC2,CI,0
O=c1c2ccccc2c(=O)n2n1CC=CC2,CI,0
CC(=O)C1=C(C)Cn2c(=O)c3ccccc3c(=O)n2C1,CI,0
Cn1cccc1C=Cc1cc(Br)c(C=Cc2cccn2C)cc1Br,CI,0
CCCCCCCCCCn1cccc1C=Cc1ccc(C=Cc2cccn2CCCCCCCCCC)cc1,CI,0
CC(=O)OC1(C)C(=O)OC1(C)C(C)=O,CI,0
CC1C(=O)OC1C(O)CO,CI,0
CCOC1C2c3cc(OC)c(OC)cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1,CI,0
COc1cc2c(cc1OC)C1c3ccccc3C(C#N)(C2)N(C(=O)c2ccccc2)C1O,CI,0
CCOC(=O)c1cc2c3c(c(O)c(OC)c2s1)N(C(=O)c1cc2c4c(c(OC)c(OC)c2s1)N(C(=O)OC(C)(C)C(Cl)(Cl)Cl)CC4)CC3,CI,0
CCOC(=O)c1cc2c3c(c(O)c(OC)c2s1)N(C(=O)c1cc2c4c(c(O)c(OC)c2s1)N(C(C)=O)CC4)CC3,CI,0
COc1c2c3c(c(OC)c1OC)-c1ccc(O)cc1C3=NCC2,CI,0
COc1ccc2c(c1OC)C1=NCCc3c(OC)c(OC)c(OC)c-2c31,CI,0
Cc1cc2c(c3nocc13)C(=O)c1ccccc1C2=O,CI,0
O=C1c2ccccc2C(=O)c2c1ccc1conc21,CI,0
N=C1NC(=N)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N1,CI,0
CCOc1ccc(C=C2C(=N)NC(=N)NC2=O)cc1OCC,CI,0
COc1cc(-c2nccc3cc(OC)c(OC)cc23)ccc1O.Cl,CI,0
CCC(C)N(CCN)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1.Cl,CI,0
COc1ccc(Br)c(C(=O)N2CCc3ccccc32)c1N,CI,0
COc1cccc(C(=O)N2CCc3ccccc32)c1OC,CI,0
Cc1cc(C)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1,CI,0
c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1,CI,0
O=C1CCCCC1=O,CI,0
CN(C)CC1CCC(CN(C)C)C(=O)C1=O.Cl,CI,0
Cl.OCC1OC(n2cnc(C3=NCCCN3)n2)C(O)C1O,CI,0
Cl.OCC1OC(n2cnc(C3=NCC(O)CN3)n2)C(O)C1O,CI,0
CCNC1C2(CCCCC2)NC(=O)C12CCCCC2,CI,0
O=C1NC2(CCCCC2)C(OCCO)C12CCCCC2,CI,0
Cc1[nH]c2ccccc2c1CCC(=NNc1ccccc1)c1ccccc1,CI,0
Cc1c(CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c2ccccc2n1C,CI,0
Oc1nc2c(c3ccccc13)CCc1ccccc1-2,CI,0
COc1ccc2c3c(nc(O)c2c1C(=O)O)-c1ccccc1CC3,CI,0
CCOC(=O)c1ccc(N2C(=O)Cc3ccccc3C2=O)cc1,CI,0
COC(=O)c1ccccc1N1C(=O)Cc2ccccc2C1=O,CI,0
CC(=O)OC1C(OC(C)=O)C2(C)C(C(OC(C)=O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12,CI,0
CC(=O)OC1C(OC(C)=O)C2(C)C(C(O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12,CI,0
CN1Cc2ccccc2C2(COc3ccccc3C2=O)C1,CI,0
CN1Cc2ccccc2C2(COc3ccc(C=O)cc3C2=O)C1,CI,0
CCSC1(C)C(=O)c2ccccc2C(=O)C1(C)O,CI,0
CC(C)(C)C(=O)C1CC(=O)c2ccccc2C1=O,CI,0
COc1ccc(C=CCN(C)CCc2ccccc2)cc1OC,CI,0
N#CC(C=Cc1ccccc1)NCCc1ccccc1,CI,0
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1,CI,0
Clc1ccc(C(c2ccc(Cl)cc2)c2cncnc2)cc1,CI,0
NC1CCCCC1.O=C(O)C1(P(=O)(O)O)CC1,CI,0
NC1CCCCC1.O=P(O)(O)C1(P(=O)(O)O)CC1,CI,0
O=C(C=Nc1ccccc1S)c1ccco1,CI,0
O=C(C=Nc1ccccc1C(=O)O)c1ccco1,CI,0
CC(=O)OC1CCC2(C)C(CCC3(C)C4Cc5cc(O)cc(C)c5OC4(C)CCC32)C1(C)C,CI,0
Cc1cc(O)cc2c1OC1(C)CCC3C(C)(CCC4C(C)(C)C(O)CCC43C)C1C2,CI,0
CC1C(=O)C(C)C(c2cccs2)N(N=O)C1c1cccs1,CI,0
CC1C(=O)CC(c2cccs2)N(N=O)C1c1cccs1,CI,0
COc1ccc(C2C3CCCC(C3=O)C(c3ccc(OC)cc3)N2N=O)cc1,CI,0
O=NN1C(c2ccccc2)C2CCCC(C2=O)C1c1ccccc1,CI,0
COC1=C(C)C2CC(=O)OC3CC4C(C)CC(O)C(=O)C4(C)C(C1=O)C32C,CI,0
COC1=C(C)C2CC(=O)OC3CC4C(C)CC(OC(C)=O)C(=O)C4(C)C(C1=O)C32C,CI,0
CCOC(=O)N1CCC(=O)CC1CC=CP1(=O)OC(c2ccccc2)C(C)N1C(C)C,CI,0
CCCC[Sn](CCCC)(CCCC)CN1CCC(=O)CC1CC=CP1(=O)OC(c2ccccc2)C(C)N1C(C)C,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1NCCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1CCN(C)C3C2,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1CCN(C)C3C2,CI,0
COc1cc(O)c2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,CI,0
COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3,CI,0
CC(=O)N1C(C(=O)O)CSC1c1ccncc1,CI,0
O=C(O)C1CSC(c2ccncc2)N1,CI,0
COc1ccc(CC23CCC(=O)N2CCc2cc(OC)c(O)cc23)cc1O,CI,0
COc1cc2c(cc1O)C1(Cc3ccc(OC)c(OC)c3)CCC(=O)N1CC2,CI,0
Oc1nc(C2CCCCC2)nc2cc(Cl)ccc12,CI,0
Oc1nc(C2CCCCC2)nc2ccc(Cl)cc12,CI,0
CCOC(=O)C(C(=O)OCC)=C1C=C(c2ccccc2)c2ccccc21,CI,0
O=C(O)C(O)=C1C=C(c2ccccc2)c2ccccc21,CI,0
N#CC1(C2CC(=O)N(c3ccccc3)C2=O)CCCCC1=O,CI,0
COc1ccc(N2C(=O)CC(C3CC(C(C)(C)C)CCC3=O)C2=O)cc1,CI,0
O=C1C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21,CI,0
O=C1C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21,CI,0
O=C1C2c3[nH]c4ccccc4c3C3CCCCCCCCCCC3C2C(=O)N1c1ccccc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCCCCC4C3C2=O)cc1,CI,0
O=C1C2c3[nH]c4ccccc4c3C3CCCCCCC3C2C(=O)N1c1ccccc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCC4C3C2=O)cc1,CI,0
O=C1C2c3[nH]c4ccccc4c3C3CCCC3C2C(=O)N1c1ccccc1,CI,0
COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCC4C3C2=O)c1,CI,0
CC1=C2C(=CC(C)(CO)C2O)C(=O)C(C)(O)C12CC2,CI,0
CC1=C2C(=CC(C)(C)C2O)C(=O)C(C)(O)C12CC2,CI,0
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)CC(C)(O)CC3O,CI,0
Cc1c2c(cc3c1C(=O)C(O)=C(C(C)CO)C3=O)C(C)(C)CCC2,CI,0
COC1=C(C(=O)OC(C)(C)C)C23CCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0
CC(C)(C)OC(=O)C1=C(O)C(C(=O)OC(C)(C)C)C23CCCCC12C(C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C,CI,0
COC1OC(COCc2ccc(Cl)cc2)C(OCc2ccc(Cl)cc2)C1N=[N+]=[N-],CI,0
COC1OC(COCc2ccc(Cl)cc2)C(OCc2ccc(Cl)cc2)C1O,CI,0
CC(C)(C)c1nc2c(o1)C(=Nc1ccccc1)c1ccccc1C2=O,CI,0
CC(C)(C)c1nc2c(o1)C(=Nc1ccc(F)cc1)c1ccccc1C2=O,CI,0
O=C1C=CC(=CC=C2C=CN(CCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)O)C=C2)C=C1.[KH],CI,0
CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1,CI,0
Cc1ccc2c(c1)C1(C)OC(CC(N)C1O)O2.Cl,CI,0
CC(=O)NC1CC2Oc3ccc(C)cc3C(C)(O2)C1O,CI,0
CC(NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1,CI,0
CC(O)C(NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1,CI,0
Cc1ccc(-c2nc(SCC(=O)O)n[nH]2)cc1,CI,0
COC(=O)CSc1n[nH]c(-c2ccccc2)n1,CI,0
C=CCP1(=O)OC(c2ccccc2)C(C)N1C,CI,0
C=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C,CI,0
CC12OC3(O)C4C5CC(C6C5C3C61)C42,CI,0
O=[N+]([O-])CC12OC3(O)C4C5CC(C6C5C3C61)C42,CI,0
O=C(O)C12CCCC(CCC1)C2,CI,0
CC12CCCC(C(=O)O)(C1)C(C(C)(C)C(=O)O)CC2,CI,0
C=C1C(=O)CC23CCCC12CC(O)C3,CI,0
C=C1C(=O)CC23CCCC12CC(OCOC)C3,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cc2c(cc1Cl)OCO2,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc2c(c1)OCO2,CI,0
CCOC(=O)CC12CCCNC1(C)CCc1ccccc12.Cl,CI,0
Br.CCOC(=O)CC12CCCNC1(C)CCc1ccccc12,CI,0
O=S(=O)(c1ccccc1)N1CCC1c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)N2CCC2c2ccccc2)cc1,CI,0
O=C1CNC(=O)c2nc[nH]c2N1,CI,0
CN1CC(=O)N(C)c2[nH]cnc2C1=O,CI,0
Cc1ccccc1C1OC(=O)c2ccc3ccccc3c21,CA,1
COc1ccc(C2OC(=O)c3ccc4ccccc4c32)c(C)c1,CI,0
N#CC1CC2(C(=O)C1=O)c1ccccc1-c1ccccc12,CI,0
CC(=O)C1CC2(C(=O)C1=O)c1ccccc1-c1ccccc12,CI,0
COc1ccc2cc(C(=O)c3ccccc3C(=O)O)ccc2c1,CI,0
Cc1cc(Cl)ccc1C(=O)c1ccc2ccccc2c1C(=O)O,CI,0
Cc1cccc2c1CC(=C1CCc3c(C)cccc31)C2=O,CI,0
Cc1ccc2c(c1)C(=O)C(=C1CCc3ccc(C)cc31)C2,CI,0
COC(=O)C12C(=O)OC(C)C1(O)C(C)C(=O)N2C,CI,0
CC1OC(=O)C2(CO)N(C)C(=O)C(C)C12O,CI,0
COC(=O)C=CC1C(C(=O)OC)C2(C(=O)OC)CCC1(C(=O)OC)N2,CI,0
COC(=O)C=CC(=O)C1C(C(=O)OC)C2(C(=O)OC)CCC1(C(=O)OC)N2,CI,0
Cc1cc(O)cc2c1CC=C1C(=O)C(C(C)C)=C(O)C(=O)C1=C2,CI,0
COc1cc(C)c2c(c1)C=C1C(=O)C(O)=C(C(C)C)C(=O)C1=CC2,CI,0
CC1=CCCC2C(C1)C(=O)CC(C)C2(C)CCC(=CCO)CO,CI,0
CC1CC(=O)C2CC(CO)=CCCC2C1(C)CCC(=CCO)CO,CI,0
CCC=Cc1cc2cc[nH]c2c2c1C(C)CC2C,CI,0
CCc1cc2c(c3[nH]ccc13)C(C)CC2C,CI,0
Cc1c(C#N)c(=O)[nH]c(=O)n1CCN1CCN(C(=O)NCCCCCCNC(=O)N2CCN(CCn3c(C)c(C#N)c(=O)[nH]c3=O)CC2)CC1,CI,0
CCc1c(C#N)c(=O)[nH]c(=O)n1CCN1CCN(C(=O)NCCCCCCNC(=O)N2CCN(CCn3c(CC)c(C#N)c(=O)[nH]c3=O)CC2)CC1,CI,0
CCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0
CCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCC)c(=O)n(C)c2=O)c(=O)n(C)c1=O,CI,0
ON=CC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1,CI,0
OCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1,CI,0
Cc1ccc2c(c1)CNc1ccc(C)cc1CN2,CI,0
COC(=O)CCC(=O)N1Cc2cc(C)ccc2N(C(=O)CCC(=O)OC)Cc2cc(C)ccc21,CI,0
CSc1nnc([C-](C#N)C#N)nn1.[Na+],CI,0
CSc1nnc(SC)nn1,CI,0
CC(C)=CCCC(C)=CCCC1(C)C=Cc2c(c3ccccc3oc2=O)O1,CI,0
COc1ccc2oc(=O)c3c(c2c1C)OC(C)(C)C=C3,CI,0
CCOC(=O)C1(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2,CI,0
CC1c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2,CI,0
CCOc1ccc(OCC)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[I-],CI,0
CCOc1ccc(O)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-],CI,0
ClC(N=Nc1ccccc1)=NNc1ccccc1,CI,0
C=CCOc1ccccc1N=NC(C#N)=NNc1ccccc1OCC=C,CI,0
FC(F)(F)C12C34C=CC5(CCC6(C=CC1(CC3)O6)C52C(F)(F)F)O4,CI,0
COC(=O)C12C34C=CC5(CCC6(C=CC1(CC3)O6)C52C(=O)OC)O4,CI,0
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC,CI,0
CC1=CC=CC(C)(C)CC1(O[Si](C)(C)C)C(F)(F)F,CI,0
O=C1c2ccccc2[N+](=O)[C-]1c1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccccc1[C-]1C(=O)c2cc(Cl)ccc2[N+]1=O,CI,0
OC12CCCCC1CCC2,CI,0
NC1CCCC2CCC(N)C12,CI,0
c1ccc(SC2CCCO2)cc1,CI,0
CC1(C)CCC(Sc2ccccc2)O1,CI,0
Cn1ccnc1C(c1nccn1C)C(C)(C)[N+](=O)[O-],CM,1
CCOC(=O)CNC(=O)C(C)NC(=O)C(NC(=O)CC(c1ncc[nH]1)c1ncc[nH]1)C(C)CC,CI,0
COC(=O)C1=C(CS(=O)c2ccccc2[N+](=O)[O-])ON(C)C1c1ccccc1,CI,0
COC(=O)C1=C(CS(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)C1c1ccccc1,CI,0
COC(=O)C1=C(CO)C2C=CC1C2,CI,0
COC(=O)C1=C(C=O)C2C=CC1C2,CI,0
COC(=O)C1=C(CS(=O)c2ccccc2[N+](=O)[O-])C2C=CC1C2,CI,0
COC(=O)C1=C(CS(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2C=CC1C2,CI,0
COC(=O)C1C=NNC1C(=O)OC,CI,0
CC(C)C1CC=NN1C(=O)OC(C)(C)C,CI,0
COC(=O)C1=CC2OC13CC1CCC3(C2=O)C1(C)C,CI,0
COC(=O)C1=C(C(=O)OC)C23CC4CCC2(C(=O)C1O3)C4(C)C,CI,0
CCOC(=O)C(Oc1ccc(OC)c2c1C(=O)CCC2)c1ccccc1,CI,0
COc1ccc(OC(C(=O)O)c2ccccc2)c2c1CCCC2=O,CI,0
CC(C)C1(O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,CI,0
CCOC(=O)C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,CI,0
BrC(Br)=C1C(=C(Br)Br)C(Br)C1Br,CI,0
ClC(Cl)=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl,CI,0
O=C([O-])c1ccc([I+]c2ccccc2)cc1,CI,0
Oc1ccc([I+]c2ccccc2)cc1O.[Br-],CI,0
COc1ccc2c3c1C(=O)CCCC3CO2,CI,0
O=C1CCCC2COc3ccc(O)c1c32,CI,0
CCc1oc2ccc(OC)c3ccccc1c23,CI,0
c1ccc2coc3cccc(c1)c23,CI,0
O=C1CCC2CCc3cccc4oc1c2c34,CI,0
COc1ccc2oc3c4c2c1CCC4CCC3=O,CI,0
COc1cc(Cl)c2c3c(c(C(=O)c4ccccc4)oc13)CCC2,CI,0
COc1ccc2c3c(c(C(=O)c4ccccc4)oc13)CCC2,CI,0
Cl.N=C(c1ccccc1)N1CCCCC1,CI,0
ON=C(c1ccccc1)N1CCCCC1,CI,0
CN(C(=N)c1ccccc1)c1ccccc1,CI,0
CN(C(=NO)c1ccccc1)c1ccccc1,CI,0
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,CI,0
CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,CI,0
Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,CI,0
COC1=CC(=O)OC(C=C(C)C=CC2=C(C)CCCC2(C)C)C1,CI,0
CC(C=CC1=C(C)CCCC1(C)C)=CC1CC(N(C)C)=CC(=O)O1,CI,0
Nc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nc(S)n1,CI,0
O=C(NC1C2CC3CC(C2)CC1C3)c1ccncn1,CI,0
O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccccc1,CI,0
O=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1,CI,0
COc1cc(C=C(NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(OC)c1OC,CI,0
CC(=O)Nc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1,CI,0
CC1CC2C(=O)NC(=O)C2c2[nH]c3ccccc3c21,CI,0
CC1CC2C(=O)NC(=O)C2c2c1c1ccccc1n2C,CI,0
CC(C)c1ccc(C(c2ccc(OCC(=O)O)cc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1.[NaH],CI,0
CC(C)c1ccc(C(c2ccc(OCC(=O)NCCN(C)C)cc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1.Cl,CI,0
CC1(O)CCC2(C)C3CCCC3C12,CI,0
COC1(OC)CCC2C1C1CCC(OC)(OC)C21,CI,0
CC12CCC(=NNC(N)=O)C3C1CCCC32,CI,0
NC(=O)N=C1CCC2C3CCCC2C13,CI,0
COC1CCC2CC(=O)CCC2(C)C1=O,CI,0
CC1C(=O)CCC2(C)C(=O)CCCC12O,CI,0
COCN1C(=O)C2CC(C=CC(N)=O)=CN2C(=O)c2ccccc21,CI,0
CCOCN1C(=O)C2CC(C=CC(=O)OC)=CN2C(=O)c2ccccc21,CI,0
COP1(=O)CC2C(Cl)(Cl)C2(C)C1,CI,0
CC12CP(=O)(O)CC1C2(Cl)Cl,CI,0
CC1CCN(C(C)(C)C)P(=O)(Cc2ccccc2)O1,CI,0
CCN1CCC(C)OP1(=O)Cc1ccccc1,CI,0
Cc1ccc(C)n1C1CCOC1=O,CI,0
O=Cc1ccc(C=O)n1C1CCOC1=O,CI,0
CC1(C)CCc2cc3c(cc2O1)OC(C)(C)CC3=O,CI,0
CC1(C)CCc2cc3c(cc2O1)OCCC3=O,CI,0
CCOCc1cc(=O)c2c(OC)cc3c(c2o1)CCC(C)(C)O3,CI,0
CCOCc1cc(=O)c2c(O)cc3c(c2o1)CCC(C)(C)O3,CI,0
O=S1(=O)CC(O)C(O)CS1,CA,1
O=S1(=O)CCCCS1,CI,0
COC(=O)C1=C(C(=O)OC)C2(C)OC1C(=O)C21CC1,CI,0
COC(=O)C1=CC2OC1(C)C1(CC1)C2=O,CI,0
O=S(=O)(c1ccccc1)C1CN2OC1(S(=O)(=O)c1ccccc1)CC2c1ccc(Br)cc1,CI,0
CC(C)(C)[Si](C)(C)OCCc1ccccc1C1CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
CC1(C)CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
CC1CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1,CI,0
O=C(NC1CCCCCC1)C1C(=O)N(C2CCCCCC2)C(=O)C1=NO,CI,0
NN=C1C(=O)N(C2CCCCCC2)C(=O)C1C(=O)NC1CCCCCC1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1C=Cc1ccccc1,CI,0
CC1=C(C(=O)Nc2ccccc2C)C(C=Cc2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0
CC1=C(C(=O)Nc2ccccc2)C(c2cccc3ccccc23)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc2ccccc12,CI,0
O=C(NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1)c1ccccc1O,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=NNC(=O)c3ccccc3O)C2=O)c1,CI,0
c1ccc2c(c1)SCCc1nncn1-2,CI,0
CSc1nnc2n1-c1ccccc1SCC2,CI,0
CN1CCC(=O)C(=Cc2ccccc2)C1.Cl,CI,0
Cl.O=C1CCNCC1=Cc1ccccc1,CI,0
Cn1c(=N)n[n+]([O-])c2ccccc21,CI,0
Cl.Cn1c(=N)n[n+]([O-])c2ccccc21,CI,0
CC(=O)OCc1c2ccccc2c(C)c2c1cc(F)c1ccccc12,CI,0
COc1ccc(OC)c2c1ccc1c(C)c3ccccc3c(C)c12,CI,0
Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCC2,CI,0
Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCC2.Cl,CI,0
Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=Nc2cccc3c(O)nnc(O)c23)C1=O,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=Nc3cccc4c(O)nnc(O)c34)C2=O)c1,CI,0
CCCCCCCCCCCc1n[nH]c(=N)o1,CI,0
CCCCCCCCCCCCCCCCCc1n[nH]c(=N)o1,CI,0
CCOC(=O)N=c1nc(N(C)C)ss1,CI,0
Br.CCOC(CN=c1nc(N(C)C)ss1)OCC,CI,0
CN(C)C(=S)N=c1ssc(=NS(=O)(=O)c2ccccc2)n1N(C)C,CI,0
CN(C)C(=S)N=c1ssc(=NS(=O)(=O)c2ccccc2)n1C,CI,0
CCc1ccccc1NC(=O)C(=O)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1,CI,0
COc1ccc(C(=O)C(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1,CI,0
O=C(CCCC(CC(=O)c1ccc(Cl)cc1)=NNC(=O)c1cc2ccccc2cc1O)Nc1cccc([N+](=O)[O-])c1,CI,0
COc1cc(C(=O)CC(CCCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)c2cc3ccccc3cc2O)ccc1O,CI,0
NNC(=O)C(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1,CI,0
C[N+](C)(C)CC(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1.[Cl-],CI,0
O=C(CC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1,CI,0
Cc1ccc(C)c(NC(=O)C(=O)CC(=O)c2cccc3ccccc23)c1,CI,0
CCCc1nn(C)c(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC,CI,0
CCCc1n[nH]c(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC,CI,0
CCOC(=O)C1=C(C)Nc2ccccc2S1,CI,0
CC(=NNC(=O)C(N)=O)C1=C(C)Nc2ccccc2S1,CI,0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccncc1,CI,0
O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccncc1,CI,0
Cc1[nH]c2ccccc2c1C(=O)CC1(O)C(=O)Nc2ccccc21,CI,0
Cc1[nH]c2ccccc2c1C(=O)CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21,CI,0
CC1C=CC2(C)CCC(C(C)(C)O)C2C(O)CC(C)(O)C=CC1,CI,0
CC(=O)OC1CC(C)(O)C=CCC(C)C=CC2(C)CCC(C(C)(C)O)C12,CI,0
C=C1CCC(C)(c2ccc(C)cc2)C1C,CI,0
C=C1CCC(C)(c2ccc(CO)cc2)C1C,CI,0
Nc1c(-c2ccc(Cl)cc2Cl)[n+]([O-])c2ccccc2[n+]1[O-],CI,0
COc1ccc2c(c1)[n+]([O-])c(-c1ccc([N+](=O)[O-])cc1)c(N)[n+]2[O-],CI,0
CC1CC(C)C(=O)C(C(=O)CC2CC(=O)NC2=O)C1,CI,0
CC1CCC(=O)C(C(=O)CC2CC(=O)NC2=O)C1,CI,0
O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1Cc1ccccc1,CI,0
CC1CC(C)C(O)C(C(O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)C1,CI,0
COc1cccc(C2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1,CI,0
COc1cccc(C2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1OC,CI,0
Cc1cnc(SCCN2CCN(C)CC2)nc1-c1cc2ccccc2s1,CI,0
CN1CCN(CCSc2nccc(-c3cc4ccccc4s3)n2)CC1,CI,0
Cc1cnc(SCCN(C)C)nc1-c1ccc(-c2nc(SCCN(C)C)ncc2C)s1,CI,0
Br.CN(C)CCSc1nccc(-c2ccc(-c3ccnc(SCCN(C)C)n3)s2)n1,CI,0
O=C1CC(=O)N2C(=O)CC(=O)N12,CI,0
CC1(C)C(=O)N2C(=O)CC(=O)N2C1=O,CI,0
CC(=O)C1CCN(c2ccccc2)C1,CI,0
Cc1cc(N2CCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CC=C(CCC1NCCC2c3ccccc3NC12)[Si](C)(C)C,CI,0
CC(=O)N1CC2Nc3ccccc3C2CC1CO,CI,0
CC(=O)OCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)O,CI,0
COCCOCOC(C)(C)C(CCOC(C)=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C,CI,0
CN(C)CCSc1cc(-c2ccccc2)c2ccccc2n1.Cl,CI,0
Cc1cc2c(-c3ccccc3)cc(O)nc2cc1N,CI,0
CC1CCP(=O)(c2ccccc2)C1,CI,0
CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)P1(=O)c1ccccc1,CI,0
CC1=C[P+](Cc2ccccc2)(c2ccccc2)CC1.[Br-],CI,0
CC1=C[P+](Cc2ccccc2)(c2ccccc2)CC1.[I-],CI,0
CC(C)(C)C1CCP(=O)(c2ccccc2)CC1,CI,0
O=P1(c2ccccc2)CCCCC1,CI,0
CC(=O)OCC1OC(Nc2[nH]c(=O)n(C)c(=O)c2N=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(Nc2cc(=O)n(C)c(=O)[nH]2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1=C(C(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1,CA,1
CC1=C(C(=O)N(C)c2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1,CI,0
COc1ccc(N2C(=O)C3CSCN3C2=O)cc1,CI,0
COC(=O)C1SCC2C(=O)N(c3ccccc3)C(=O)N21,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ncccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4ncccc34)cc2)n1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ncccc23)cc1,CI,0
NS(=O)(=O)c1ccc(Nc2c3ccc(Cl)cc3nc3ncccc23)cc1,CI,0
CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CN)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(N)=O,CI,0
CCCCCCCCCCCCCC(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)C(C)C,CI,0
c1ccc(-c2ccccn2)nc1,CI,0
Oc1cccc(-c2cccc(O)n2)n1,CI,0
CSc1nc(=N)n(C(=O)c2ccccc2Br)[nH]1,CI,0
CSc1nc(=N)n(C(=O)c2ccc([N+](=O)[O-])cc2)[nH]1,CI,0
COc1cccc2c1OC(=O)C(S(=O)(=O)c1ccccc1)C2,CI,0
COc1ccc2c(c1)OC(=O)C(S(=O)(=O)c1ccccc1)C2,CI,0
O=C1Oc2ccccc2CC1C(=O)c1ccc(Cl)cc1,CI,0
O=C1Oc2ccccc2CC1C(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1c2oc(=O)cc(-c3ccccc3)c2cc2c(=O)ccoc12,CI,0
O=c1cc(-c2ccccc2)c2cc3c(=O)ccoc3cc2o1,CI,0
CC(C)(Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CI,0
O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CI,0
O=C1NC(=O)c2c1c1cnn(-c3ccccc3)c1n1cccc21,CI,0
CN(C)CCN1C(=O)c2c(c3cccn3c3c2cnn3-c2ccccc2)C1=O,CI,0
CC(=O)[OH+][Zn-2]12[OH+]c3c(C)ncc(CO)c3C=[N+]1[N-]C(N)=[S+]2,CI,0
CSC1=[S+][Zn-2]2([OH+]C(C)=O)[OH+]c3c(C)ncc(CO)c3C=[N+]2[N-]1,CM,1
CN(CCC(N)CC(=O)NC1C=CC(n2ccc(=N)[nH]c2=O)OC1C(=O)O)C(=N)N,CI,0
CN(CCC(N)CC(=O)NC1C=CC(n2ccc(=N)[nH]c2=O)OC1C(=O)O)C(=N)N.Cl,CI,0
CC(C)(C)[Si](C)(C)OCC1CCC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1,CI,0
O=C(Nc1ncnc2c1ncn2C1OC(CO)CC1F)c1ccccc1,CI,0
COCOc1c(OC)c(C2(O)C(=O)N(C)c3ccccc32)c(OCOC)c(OC)c1C1(O)C(=O)N(C)c2ccccc21,CI,0
COc1c(OC)c(C2(O)C(=O)N(C)c3ccccc32)c(OC)c(OC)c1C1(O)C(=O)N(C)c2ccccc21,CI,0
COc1cc2c(c(C3(O)C(=O)N(C)c4ccccc43)c1OC)OCO2,CI,0
COc1cc2c(c(C3C(=O)N(C)c4ccc(Br)cc43)c1OC)OCO2,CI,0
CN1CCC23c4c5ccc(O)c4OC2C(=NN=C2CCC4(O)C6Cc7ccc(O)c8c7C4(CCN6C)C2O8)CCC3(O)C1C5,CI,0
C=CCN1CCC23c4c5ccc(O)c4OC2C(=NN=C2CCC4(O)C6Cc7ccc(O)c8c7C4(CCN6CC=C)C2O8)CCC3(O)C1C5,CI,0
O=C1Sc2ccccc2C(=O)N2CCCC12,CI,0
COc1cc2c(cc1OC)C(=O)N1CCCC1C(=O)S2,CI,0
CC1=CC(O)C(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2,CI,0
CC1=CCC(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2,CI,0
CC1(Cl)CCC2(CC1Br)C(C)(C)C(Br)=CC1OC12C,CI,0
CC1(Cl)CCC2(CC(Br)=CC3OC32C)CC1Br,CI,0
CC1(C)COC2(C)N(c3ccccc3)C(=O)ON12,CI,0
CCC12OCC(C)(C)N1OC(=O)N2c1ccccc1,CI,0
CCCCCC12OCC(C)(C)N1O2,CI,0
CC1(C)COC2(C)ON12,CI,0
C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)c(O)c3O)cc2)cn2ccccc21.[Br-],CM,1
C[n+]1c(-c2ccc(C=NNC(=O)c3cc(O)c(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3O)cc2)cn2ccccc21.[Br-],CI,0
O=[N+]([O-])c1ccc(-c2cn(-c3ccc(Cl)cc3)cn2)cc1,CI,0
CCOC(=O)c1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1,CM,1
CSc1nc(=O)n(CCC#N)nc1SC,CI,0
CSc1cnn(CCC#N)c(=O)n1,CI,0
CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(-n3cccc3)cc21,CI,0
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cccc3)cc21,CI,0
CSC(SC)(C(=O)O)c1cc(-c2c(Cl)cccc2Cl)no1,CI,0
COC(=O)c1onc(-c2c(OC)cc(OC)cc2OC)c1C(=O)OC,CI,0
Cc1cc(=O)oc2ccc3c(=O)ccoc3c12,CI,0
Cc1c([N+](=O)[O-])c(=O)oc2ccc3c(=O)ccoc3c12,CI,0
COc1ccc(C2Oc3cc(OC)ccc3C(=O)C2c2ccccc2)cc1,CI,0
COc1ccc(C2C(=O)c3ccc(OC)cc3OC2c2ccccc2)cc1,CI,0
O=c1oc2ccccc2c(O)c1C1=NC(=NN=Cc2ccc(Cl)cc2)SC1,CI,0
CC1SC(=NN=Cc2ccc(Cl)cc2)N=C1c1c(O)c2ccccc2oc1=O,CI,0
Cc1cccc(N2CC3CC4C=CC3(C2)O4)c1,CI,0
Cc1ccccc1N1CC2CC3C=CC2(C1)O3,CI,0
COc1ccc2c(c1OC)Oc1c(OC)ccc3c1C(C2)N(C)CC3O,CI,0
COc1ccc2c(c1OC)Oc1c(OC)ccc3c1C(C2)NCC3.Cl,CI,0
CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C=CC1=O,CI,0
CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(SCC(C)C)=CC1=O,CI,0
COC(=O)C1=CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12,CI,0
OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12,CI,0
O=[N+]([O-])C=Cc1cc2c(ccc3ccccc32)[nH]1,CI,0
CCOC(=O)c1cc2c(ccc3ccccc32)[nH]1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(Cc4ccccc4)NC(=O)OC(C)(C)C)C(=O)C2C31,CI,0
NC(Cc1ccccc1)C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(N)Cc4ccccc4)C(=O)C2C31.O=C(O)C(O)C(O)C(O)C(O)CO.[Na]Cl,CI,0
CN1C(c2ccccc2)=C(C#N)C(=O)CC(c2cccs2)N1C,CI,0
CN1NC(c2ccccc2)=C(C#N)C(=O)CC1c1cccs1,CI,0
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(C)=O,CM,1
C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC)C4CCC3(C2)C1OC(C)=O,CI,0
CC1=CC2=C(C#N)C(=O)OC2(C)C(c2ccccc2)C1,CI,0
CC1=CC2=C(C(N)=O)C(=O)OC2(C)C(c2ccccc2)C1,CI,0
O=c1c2ccccc2sc2cccc(NCCCN3CCN(CCCNc4cccc5sc6ccccc6c(=O)c45)CC3)c12,CI,0
Cc1ccc(NCCCN2CCN(CCCNc3ccc(C)c4sc5ccccc5c(=O)c34)CC2)c2c(=O)c3ccccc3sc12,CI,0
N#Cc1c(-c2ccccc2)cn2c1[nH]c(=O)c1ccccc12,CI,0
COc1ccc(-c2cn3c([nH]c(=O)c4cc(Br)ccc43)c2C#N)cc1,CI,0
[O-][N+]1=Cc2ccc(O)c(O)c2[OH+][Cu-3]12[OH+]c1c(ccc(O)c1O)C=[N+]2[O-],CI,0
[O-][N+]1=Cc2ccc(O)cc2[OH+][Cu-3]12[OH+]c1cc(O)ccc1C=[N+]2[O-],CI,0
C=CCC12CC(C)OC1=Nc1ccccc1NC2=O,CI,0
CCN(CC)CCC12CC(C)OC1=Nc1ccccc1NC2=O,CI,0
Cl.c1cnc2c(c1)-n1cccc1C1(CCCCC1)NN2,CI,0
Br.c1cnc2c(c1)-n1cccc1C1(CCCCC1)NN2,CI,0
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3(C=NO)n3c(=O)n(-c4ccccc4)c(=O)n3C2(C=NO)C1,CI,0
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3(C#N)n3c(=O)n(-c4ccccc4)c(=O)n3C2(C#N)C1,CI,0
N#Cc1c(=O)[nH]c(=O)n2c1[nH]c1ccccc12,CI,0
Cn1c(=O)cc2[nH]c3ccccc3n2c1=O,CI,0
CCc1ccc(N2C(=O)C(CC(=O)O)SC23C(=O)N(Cc2ccccc2)c2ccccc23)cc1,CI,0
O=C(O)CC1SC2(C(=O)N(Cc3ccccc3)c3ccccc32)N(c2ccccc2)C1=O,CI,0
Cc1ccc2c(c1)C1(SC(C)C(=O)N1c1ccc(Br)cc1)C(=O)N2,CI,0
Cc1ccc2c(c1)C1(SC(C)C(=O)N1c1ccc(I)cc1)C(=O)N2,CI,0
COc1ccc(Nc2ccnc(O)c2NC(C)=O)cc1,CI,0
CC(C)NC(=NC#N)NS(=O)(=O)c1cnccc1Nc1ccc(Cl)cc1,CI,0
Brc1ccc(-c2nc3sc(-c4ccc5c(c4)OCO5)nn3c2Br)cc1,CI,0
O=Cc1c(-c2ccccc2)nc2sc(-c3ccc4c(c3)OCO4)nn12,CI,0
CC1=CC(O)CC(C)=CC(O)C(=O)C=CC2C(CC1)C2(C)C,CI,0
CC(=O)OC1C=C(C)C(OC(C)=O)CC=C(C)CCC2C(C=CC1=O)C2(C)C,CI,0
COC12C=CC(CC1)c1c2c(O)c2nc(C)c(C)nc2c1O,CI,0
Cc1nc2c(O)c3c(c(O)c2nc1C)C1C=CC3CC1,CI,0
Cc1nc2c(nc1C)C(=O)C1=C(C2=O)C2C=CC1CC2,CI,0
COC12C=CC(CC1)C1=C2C(=O)c2nc(C)c(C)nc2C1=O,CI,0
CN1Cc2ccccc2C2C(c3ccccc3)=NN(c3ccccc3)C21,CI,0
CCC1c2ccccc2C2C(c3ccccc3)=NN(c3ccccc3)C2N1CC,CI,0
COC(=O)c1cc([O-])c2sc(C)c(C)[n+]2n1,CI,0
COC(=O)c1cc(O)c2scc(C)[n+]2n1.[Cl-],CI,0
CC1(C)CCc2c(cc3c(c2O)CCC(C)(C)O3)O1,CI,0
CC1(C)CCc2cc3c(cc2O1)OCCC3O,CI,0
CC1C(C)N1CC(O)Cn1ccnc1[N+](=O)[O-],CI,0
CC(C)C1CN1CC(O)Cn1ccnc1[N+](=O)[O-],CI,0
CCC(C)C1NC(=O)C(C(C)=O)=C1O,CI,0
CCON1CC(C(=O)OC)=C(O)C1=O,CI,0
Cc1ccccc1N1C(=O)C(=O)c2cccc(C)c21,CI,0
Cc1ccc(C)c(N2C(=O)C(=O)c3c(C)ccc(C)c32)c1,CI,0
O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,CI,0
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,CI,0
CC(C)C12C=C3CCC4C(C)(C(=O)O)CCCC4(C)C3(CC1)OO2,CI,0
COC(=O)C1(C)CCCC2(C)C1CCC1=CC3(C(C)C)CCC12OO3,CI,0
OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5,CI,0
OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5,CI,0
C[N+](C)(Cc1ccco1)c1ccccc1,CI,0
Cc1ccc(C[N+](C)(C)c2ccccc2)o1,CI,0
CCN1CCOC(c2ccccc2)C1c1ccccc1,CI,0
CC(C)(C)OC(=O)N1CC(O)OC(c2ccccc2)C1c1ccccc1,CI,0
O=C1CCC(c2ccccc2)CCN1,CI,0
CCOC(=O)C1(c2ccccc2)CCNC(=O)CC1,CI,0
O=C1OC2C(O)COC23OC(O)CCC13O,CI,0
COC1(C)CCC2(O)C(=O)OC3C(O)COC32O1,CI,0
O=C(CC1=NC2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1,CI,0
O=C(CC1=NC2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccc1)c1ccccc1,CI,0
COc1ccc2c(c1)NC(=O)C(O)(Cc1ccccc1)C2=O,CI,0
[N-]=[N+]=NC1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O,CI,0
CC(=O)OCC1OC(n2ccc(-n3cncn3)nc2=O)CC1N=[N+]=[N-],CM,1
CC(=O)OCC1OC(n2cc(C)c(-n3cncn3)nc2=O)CC1N=[N+]=[N-],CI,0
COc1ccc(-c2cc(=O)cc(C(N)=O)o2)cc1,CI,0
CCc1c(-c2ccc(OC)cc2)oc(OC)c(C)c1=O,CI,0
CC1=CN2C(c3ccccc3)=NON(c3ccc(C)cn3)C2C=C1,CI,0
CC1=CN2C(c3ccc(Cl)cc3)=NON(c3ccc(C)cn3)C2C=C1,CI,0
Cc1cc(=O)n2c(n1)sc1ccc3ccccc3c12,CI,0
CCOC(=O)c1cnc2sc3ccc4ccccc4c3n2c1=O,CI,0
C=C(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1,CI,0
CNC=C(c1ccc(OC)cc1)C(O)c1ccc(OC)c(OC)c1,CI,0
COc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)C(=O)CCC2,CI,0
CCC1CC(=O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1(C#N)C(=O)OC(C)(C)C,CI,0
COc1ccc2nccc3cc(Cl)[nH]c1c32,CI,0
Clc1c[nH]c2cccc3nccc1c32,CI,0
CCN(CC)C1C2=C(CCCC2)OS(=O)(=O)C1c1ccccc1,CI,0
COCCN(CCOC)C1C2=C(CCCC2)OS(=O)(=O)C1c1ccccc1,CI,0
COc1cc(O)cc2c1C(=O)C(C)O2,CI,0
COc1ccc2c(c1C)C(=O)C(O)(CC=C(C)C)O2,CI,0
O=[N+]([O-])c1ccccc1S(=O)NCc1c(Cl)cccc1Cl,CI,0
COC(=O)CC(C)(NS(=O)c1ccc(C)cc1)c1ccccc1,CI,0
C=C(C)C#CC1(O)C=C(OC)C(OC)=CC1=O,CI,0
CC(C)=CCC1=C(O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc2ccccc2n1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cnc2cc(C(F)(F)F)ccc2c1O,CI,0
COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc(OC(C)C)c(OC)c1)N(C)C2=O,CI,0
COc1cc2c(cc1OC)C(C(=O)O)C(c1ccccc1)N(C)C2=O,CI,0
C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C,CI,0
C=CC1(C)CC(=O)C2(O)C(O1)C(OC(C)=O)C(OC(C)=O)C1C2C(OC(C)=O)CCC1(C)C,CI,0
C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0
CCCCSc1ccc2n(c1)cc(-c1ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6cc(SCCCC)ccc6[n+]5C)cc4)cc3)cc1)[n+]2C.Cc1ccc(S(=O)(O)=[OH+])cc1,CI,0
CC(=O)OCCNc1nnc(O)c2cnccc12,CI,0
Cc1cc2c(O)nnc(N)c2c(N)n1,CI,0
C(=NCCSSCCN=Cc1ccccc1)c1ccccc1,CI,0
Oc1ccccc1C=NCCSSCCN=Cc1ccccc1O,CI,0
CCOC(=O)C=C1CCC(C)n2c1nccc2=O,CI,0
CCOC(=O)C=C1CCCn2c1ncc(C(=O)OCC)c2=O,CI,0
CCOP1(OCC)(SSC)OC(=O)C(C)S1,CI,0
CCOP(=S)(OCC)OC(=O)C(C)SSC.CCOP1(OCC)(SSC)OC(=O)C(C)S1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCOCC2)cc1,CI,0
COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCOCC2)c(OC)c1,CI,0
CCN1C2=NCCN2S(=O)(=O)c2ccccc21,CI,0
O=S1(=O)c2ccccc2N(O)C2=NCCN21,CI,0
c1ccc2c(c1)OCc1nccn1-2,CI,0
CCOC(=O)c1c(C(=O)OC)nc2n1-c1ccccc1OC2,CI,0
COc1cccc2sc(-n3c(C)nc4ccccc4c3=O)nc12,CI,0
Cc1nc2ccccc2c(=O)n1-c1nc2ccccc2s1,CI,0
Cc1ccccc1-n1c(SCC(=O)NC(=O)Nc2cccc(Cl)c2)nc2c(Br)cc(Br)cc2c1=O,CI,0
COc1ccc(-n2c(SCC(=O)NC(=O)Nc3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1,CI,0
Cc1ccccc1NCN1C(=O)SC(=C2C(=O)N(C)c3ccc(Br)cc32)C1=O,CI,0
CN1C(=O)C(=C2SC(=O)N(CNc3ccc(Br)cc3)C2=O)c2ccccc21,CI,0
CN1C(=O)C(=C2SC(=O)N(CN3CCOCC3)C2=O)c2cc(Br)ccc21,CI,0
CN1C(=O)C(=C2SC(=O)N(CN3CCOCC3)C2=O)c2ccccc21,CI,0
CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2cc(Br)ccc21,CI,0
CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2ccccc21,CI,0
CC1=C(C)C(=O)C2=C(OCCCO2)C1=O,CI,0
COC1=C(OC)C(=O)C2=C(OCCCO2)C1=O,CI,0
CN1C(=O)C2CSCN2C1=S,CI,0
CN1C(=O)C2N(CSC2(C)C)C1=S,CI,0
OC1c2cccn2-c2ccccc2SC1c1ccccc1,CI,0
OC1c2cccn2-c2cc(Cl)ccc2SC1c1ccccc1,CI,0
COc1ccc2c(c1)CCc1c(-c3noc4c3CCc3cc(OC)ccc3-4)noc1-2,CI,0
c1ccc2c(c1)CCc1c(-c3noc4c3CCc3ccccc3-4)noc1-2,CI,0
COc1ccccc1N=NC1=C2NCCN=C1N(c1ccccn1)C(=S)N2c1ccc(Cl)cc1,CI,0
S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=NCCN2)N1c1ccccn1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=CC1CCCCC1,CI,0
NC1CCCCC1.O=P(O)(O)C(CSc1ccccc1)P(=O)(O)O,CI,0
COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)C=Cc1ccccc1,CI,0
COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)C=Cc1ccccc1,CI,0
O=c1c(SSc2coc3ccccc3c2=O)coc2ccccc12,CI,0
O=c1c(SSc2coc3cc(F)ccc3c2=O)coc2cc(F)ccc12,CI,0
CCC1(O)C(=O)c2ccccc2N(c2ccccc2)C1=O,CI,0
CCC1(N=[N+]=[N-])C(=O)c2ccccc2N(c2ccccc2)C1=O,CI,0
Brc1ccc2[nH]c3nc(NN=Cc4cccs4)nnc3c2c1,CI,0
Cn1c2ccccc2c2nnc(NN=Cc3cccs3)nc21,CI,0
COC1(C)C(=O)N(C)C1c1ccccc1,CI,0
COc1ccc(C2CC(=O)N2)cc1,CI,0
Cc1cc(O)c2c(=O)c(=O)c2c1,CI,0
O=c1c(=O)c2cc(O)ccc12,CI,0
O=c1c2ccccc2oc2nc3cc(Cl)ccc3n12,CI,0
O=c1c2ccccc2oc2nc3ccc(Cl)cc3n12,CI,0
O=Nc1c(-c2ccccc2)nc2cnccn12,CI,0
CCOC(=O)c1c(-c2ccccc2)nc2c(OC)nccn12,CI,0
COc1nc(N2CCNCC2)nc2c1CCCC2.O=C(O)C=CC(=O)O,CI,0
CC(C)Oc1nc(N2CCNCC2)nc2c1CCCC2.O=C(O)C(=O)O,CI,0
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CSC2,CI,0
CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CSC2,CI,0
Cc1ccc(-n2c(N)c(C#N)c3c(c2=S)CCC3)cc1,CI,0
COc1ccc(-n2c(N)c(C#N)c3c(c2=S)CCC3)cc1,CI,0
C=CCNc1nc2c(s1)c(C)c(O)c1ccccc12,CI,0
CCOC(=O)C(Cl)=C(C)Nc1nc2c(ccc3ccccc32)s1,CI,0
CC(=O)Nc1cnc2c(nc3cc(C)ccn32)c1C,CI,0
CC(=O)N(C(C)=O)c1cnc2c(nc3cc(C)ccn32)c1C,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1.CS(=O)(=O)O,CI,0
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1,CI,0
CC(=O)c1c(C)n(C)c2c1nnc1ccccc12,CI,0
CCOC(=O)c1c(C)n(C)c2c1nnc1ccccc12,CI,0
Cc1ccc(C2(O)c3ccccc3N=NN2C)cc1,CI,0
CN1N=Nc2ccccc2C1(O)c1ccc(F)cc1,CI,0
CCN(c1ccccc1)c1cc(=O)nc2ccccn12,CI,0
CCN(c1ccc(Br)cc1)c1c(Br)c(=O)nc2ccccn12,CI,0
C1COCCOCCOCCOCCOCCO1.C[Sn](C)(Cl)Cl,CI,0
O=C(O)C1OCCOCCOC(C(=O)O)C(C(=O)O)OCCOCCOC1C(=O)O,CI,0
NC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1,CI,0
COC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1,CI,0
CC(=O)OCC1OC([n+]2c(O)cc(=O)n3ccsc32)C(OC(C)=O)C1OC(C)=O,CI,0
O=c1cc(O)[n+](C2OC(CO)C(O)C2O)c2sccn12,CI,0
CC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2oc1=O,CI,0
CC(=O)Nc1cc2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2oc1=O,CI,0
Cc1cc2c(cc1C)Nc1oc3ccc4ccccc4c3c(=O)c1C=N2,CI,0
CN1c2ccccc2N=Cc2c1oc1ccc3ccccc3c1c2=O,CM,1
Cc1nc(Nc2ccccc2C)c2ccsc2n1,CI,0
Cc1nc(Nc2ccccc2Cl)c2ccsc2n1,CI,0
Cc1nsnc1CCO,CI,0
N=C(NO)c1nsnc1C(=N)NO,CI,0
CNc1nc2c(C)ccc3[nH]c(N(C)C)nc3c-2n1,CI,0
Cc1ccc2nc(N(C)C)nc-2c2nc(Cl)[nH]c12.Cl,CI,0
CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl.CS(=O)(=O)O,CI,0
CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl,CI,0
Cn1c2ccccc2c2[nH]c3ccccc3c(=O)c21,CI,0
Cn1c2ccccc2c(=O)c2[nH]c3ccccc3c21,CI,0
COc1ccccc1C=CC(=O)c1ccccc(=O)c1O,CI,0
COc1ccc(C=CC(=O)c2ccccc(=O)c2O)cc1,CI,0
CN1C(=O)C(=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21,CI,0
CN1C(=O)C(=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2cc(Br)ccc21,CI,0
COc1cc2c(cc1O)Cc1c-2[n+](C)cc2cc(OC)c(OC)cc12,CI,0
COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc(OS(C)(=O)=O)c(OC)cc1-3,CI,0
Cn1c2ccc(Cl)cc2c2oc(-c3nnn[nH]3)cc(=O)c21,CI,0
Cn1c2ccccc2c2oc(-c3nnn[nH]3)cc(=O)c21,CI,0
CC1C(c2ccccc2)NC(c2ccccc2)CC1(N)C#N,CI,0
O=NN1C(c2ccccc2)CCCC1c1ccccc1,CI,0
COc1ccc2c(c1)OCCN(C)OC2c1ccccc1,CI,0
COc1ccc2c(c1)OCCN(C)OC2c1cccc(Cl)c1,CI,0
Cc1noc2c1NC(=O)OC(C)(C)C2,CI,0
Cc1noc2c1NC(=O)OCC2,CI,0
NC(=O)c1ncn2c(=O)n(CCCl)nnc12,CI,0
Cn1nnc2c(C(N)=O)ncn2c1=O,CI,0
O=C1Cn2c(cc(=O)c3ccccc32)O1,CI,0
COC(=O)C=C(C(=O)OC)C1C(=O)Oc2c(C)c(=O)c3ccccc3n21,CI,0
CN1C(=O)OC(c2ccc(Cl)cc2)C1=O,CI,0
O=C1NC(=O)C(c2ccccc2)O1,CI,0
NCCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13,CI,0
CC(=O)O.CNCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13,CI,0
CN1C2C=CC(=O)C1(Cl)C1C(=O)N(c3ccccc3)C(=O)C21,CI,0
CN1C2C=CC(=O)C1C1C(=O)N(c3ccccc3)C(=O)C12,CI,0
COC(=O)C12CCC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1C1CCC2CC1,CI,0
COc1ccc(C=NNC(=O)c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1,CI,0
O=C(NN=Cc1ccc(O)cc1)c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0
CCN(CC)CCOC(=O)c1c(C)oc2cc3c(C(=O)OCCN(CC)CC)c(C)oc3cc12,CI,0
N#Cc1c(N)oc2cc3c(C#N)c(N)oc3cc12,CI,0
Cn1c2c(c3cc(Cl)cc(Cl)c31)-c1ncncc1CC2,CI,0
O=C(O)C(O)C(O)C(=O)O.c1ccc2c3c([nH]c2c1)CCc1cncnc1-3,CI,0
CC1C(n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21,CI,0
Cn1c(=O)[nH]n(C2Cn3c(=O)n(C)c(=O)n3-c3ccccc32)c1=O,CI,0
N#CC1C2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0
COC(=O)C1C2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0
Cc1n[nH]c2c1NC(=O)OC2,CI,0
Cc1n[nH]c2c1NC(=O)OC2C,CI,0
CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C,CI,0
CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1,CI,0
CCN(CC)Cc1c(OC)ccc2[nH]c3c4ccc(Cl)cc4ncc3c12,CI,0
COc1ccc2c(c1)nc(O)c1c3ccccc3[nH]c21,CI,0
N#CC1=CNc2ccccc2NC1=N,CI,0
CCOC(=O)C1=CNc2ccccc2NC1=N,CI,0
COc1ccc2nc(CC(C)C)c3c(c2c1)-c1ccccc1C3=O,CI,0
Cc1ccc2c3c(c(C)nc2c1)C(=O)c1ccccc1-3,CI,0
COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2ccccc2nc2ccccc12,CI,0
COc1cc(C(=O)Nc2c3ccccc3nc3ccccc23)cc(OC)c1OC,CI,0
O=C(CN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)c1ccc(F)cc1,CI,0
O=C(CN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)c1ccc(Cl)cc1,CI,0
CC(C)CN1CC(=O)N2CCCC(c3ccccc3)N2C(=O)C1,CI,0
CCCCN1CC(=O)N2CCCC(c3ccccc3)N2C(=O)C1,CI,0
COc1cccc2c1ccc1nonc12,CI,0
CC(=O)Oc1cccc2c1ccc1nonc12,CI,0
c1cnc2c3cnc4sccc4c3nn2c1,CI,0
Cc1cc(C)n2nc3c4ccsc4ncc3c2n1,CI,0
O=[N+]([O-])c1ccc(CSSCc2ccc([N+](=O)[O-])cc2)cc1,CI,0
c1ccc(CSSCc2ccccc2)cc1,CI,0
Cc1c(N)c2ccccc2c(=O)n1C,CI,0
CCC(=O)c1cn(C)c(=O)c2ccccc12,CI,0
COC(=O)c1cc(=O)nc(NN=Cc2ccc(C)cc2)s1,CI,0
COC(=O)c1cc(=O)nc(NN=Cc2ccccc2O)s1,CI,0
COC(=O)c1cc(=O)nc(NN)s1,CI,0
CC(N)=Cc1nc(=O)ccs1,CI,0
O=C1CN(N2CCOCC2)CC(=O)N2CCCCN12,CI,0
CC1CCCN2C(=O)CN(N3CCOCC3)CC(=O)N12,CI,0
O=C1CN(C2CCCCC2)CC(=O)N2CCCCN12,CI,0
CC1CCCN2C(=O)CN(C3CCCCC3)CC(=O)N12,CI,0
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc(C)n1,CI,0
CCCC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ccccn1,CI,0
Cc1c(Cl)cccc1Nc1ncccc1C(=O)OCC(O)CO,CI,0
Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CI,0
Cc1cn(C2CC3OP(C)(=O)OCC3O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC3OP(=O)(C(C)(C)C#N)OCC3O2)c(=O)[nH]c1=O,CI,0
CCOC(=O)C1Cc2c(O)nc(O)nc2OC1c1ccc([N+](=O)[O-])cc1,CI,0
CCOC(=O)C1Cc2c(O)nc(O)nc2OC1(C)c1ccccc1,CI,0
CCCCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1,CI,0
CCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1,CI,0
CC1(COc2ccccc2OCC2(C)CO2)CO1,CI,0
c1ccc(OCC2CO2)c(OCC2CO2)c1,CI,0
CC(=O)OCC1=C(C)CC(C(C)C2CCC3C4CC5OC56C(OC(C)=O)C=CC(=O)C6(C)C4CCC23C)OC1=O,CI,0
CC(=O)OCC1=C(C)CC(C(COC(C)=O)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC23C)OC1=O,CI,0
N=c1[nH]c2c(-c3ccc([N+](=O)[O-])cc3)nnn2c2ccccc12,CI,0
N=c1[nH]c2c(-c3ccc([N+](=O)[O-])cc3)nnn2c2cccc(Cl)c12,CI,0
CC(=O)c1cc(-c2ccccn2)c(=O)n2ccccc12,CI,0
CCOC(=O)c1cc(-c2ccccn2)c(=O)n2ccccc12,CI,0
CC12CC(OC(=O)C1(C)O)C(C1(O)CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC31C)C2,CI,0
CC12CC(OC(=O)C1(C)O)C(C1(O)CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC31C)C2,CI,0
COC(=O)c1noc2c1CSc1ccccc1-2,CI,0
CN(C)CCNC(=O)c1noc2c1CSc1ccccc1-2,CI,0
O=C(O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2,CI,0
CN(C)CCNC(=O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2,CI,0
Cc1nnc2n1N=C(c1ccc(O)c(O)c1O)CS2,CI,0
CCCCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2,CI,0
Cc1nnc2sc3c(Cl)c4nn5c(C)nnc5sc4c(Cl)c3nn12,CI,0
CCc1nnc2sc3c(Cl)c4nn5c(CC)nnc5sc4c(Cl)c3nn12,CI,0
Cc1c2c(C#N)nccc2c(C)c2c1c1ccccc1n2Cc1ccccc1,CI,0
Cc1c2c(C(N)=O)nccc2c(C)c2c1c1ccccc1n2Cc1ccccc1,CI,0
CC1(C)CCCC2C1=NOC2O,CI,0
CC(=O)OCC1(C)ON=C2CCCCC21,CI,0
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)S2)cc1,CI,0
Clc1ccc(CN2CCCN(Cc3ccc(Cl)c(Cl)c3)S2)cc1Cl,CI,0
C[Si](C)(C)OC=C1CCCCC1=O,CI,0
O=C1CCCCC1=C(Br)I,CI,0
CN(C)c1ccc2c3c(c(=O)oc2c1)CCC3,CI,0
CCCNCC(O)COc1ccc2c3c(c(=O)oc2c1)CCC3,CI,0
CN(C)P1(=O)NCC(C(C)(C)C)CO1.CN(C)P1(=O)NCC(C(C)(C)C)CO1,CI,0
CC(C)(C)C1CNP(C)(=O)OC1.CC(C)(C)C1CNP(C)(=O)OC1,CI,0
O=C1CCC(C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1,CI,0
CC1C(=O)CCC1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1,CI,0
CC1N=C(SCc2ccc(Cl)cc2)N2C(C)N=C(SCc3ccc(Cl)cc3)N12,CI,0
CC1N=C(SCc2c(F)cccc2Cl)N2C(C)N=C(SCc3c(F)cccc3Cl)N12,CI,0
CC1N=C(SCC(=O)c2ccc(Cl)cc2)N2C(C)N=C(SCC(=O)c3ccc(Cl)cc3)N12,CI,0
CC1N=C(SCC(=O)c2ccc(F)cc2)N2C(C)N=C(SCC(=O)c3ccc(F)cc3)N12,CI,0
Cn1c(=O)c2nc(-c3ccc(Cl)cc3)oc2n(C)c1=O,CI,0
Cn1c(=O)c2nc(-c3ccccc3)oc2n(C)c1=O,CI,0
CN(C)C1C(O)=C(C(=O)NCN2CCOB(c3ccccc3)OCC2)C(=O)C2(O)C(O)=C3C(=O)C4C(O)=CC=CC4C(C)(O)C3CC12,CM,1
CC1COB(c2ccccc2)OCC(C)N1CNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)C1C(O)=CC=CC1C3(C)O,CM,1
CCN(CC)c1c(-c2ccccc2)nnc2c3ccccc3nn12,CI,0
c1ccc(-c2cn3nc4ccccc4c3nn2)cc1,CI,0
CCN1CC2(OC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C1C(CC23)C1(O)CC(OC)C2CC4C1(O)C2OC,CI,0
CCN1CC2(OC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C2CC(O)(C13)C1(O)CC(OC)C2CC4C1(O)C2OC,CI,0
S=c1sc(-c2ccccc2)c[se]1,CI,0
COc1ccc(-c2c[se]c(=S)s2)cc1,CI,0
O=C(Cn1ccnc1[N+](=O)[O-])c1ccccc1,CI,0
O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(F)cc1,CI,0
O=S(=O)(O)O.O=[N+]([O-])c1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1,CI,0
COc1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1.O=S(=O)(O)O,CI,0
CCN1C(=O)C(N2CCCCC2)SC1=CC(=O)O,CI,0
CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1CC,CI,0
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,CI,0
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccc(F)cc1,CI,0
FC(F)(F)c1cccc(N(c2nc(Cl)nc(Cl)n2)c2nc(Cl)nc(Cl)n2)c1,CI,0
Fc1ccc(N(c2nc(Cl)nc(Cl)n2)c2nc(Cl)nc(Cl)n2)cc1,CI,0
C=C(C)CN1C(=O)C(C)SC1=NN=C1SCC(=O)N1C,CI,0
NN1C(=O)C(CCO)SC1=NN=C1SC(CCO)C(=O)N1N,CI,0
CN1C(=O)CC(Sc2ccccc2)c2ccccc21,CI,0
CN1C(=O)CC(Sc2ccccc2)c2cc(Cl)ccc21,CI,0
COc1ccc(C2(c3ccc(OC)cc3)N=NC3(C)CC32)cc1,CI,0
CC12CC1C(c1cccc([N+](=O)[O-])c1)(c1cccc([N+](=O)[O-])c1)N=N2,CI,0
COc1ccc2[nH]c3cc4c(=O)c5cc(OC)ccc5[nH]c4cc3c(=O)c2c1,CI,0
CCOC(=O)c1cc(Cl)cc2c(=O)c3c(O)c4[nH]c5c(C(=O)OCC)cc(Cl)cc5c(=O)c4c(O)c3[nH]c12,CI,0
Cc1cc(C)c(S(=O)(=O)Sc2nnnn2-c2ccccc2)c(C)c1,CI,0
Cc1ccc(S(=O)(=O)Sc2nnnn2-c2ccccc2)cc1,CI,0
Cc1cc(C)c(S(=O)(=O)Sc2nnnn2C)c(C)c1,CI,0
Cc1ccc(S(=O)(=O)Sc2nnnn2C)cc1,CI,0
Cc1cc(C)c(SSc2nnnn2C)c(C)c1,CI,0
Cc1ccc(SSc2nnnn2C)cc1,CI,0
CC1=CC(=O)N2CCN=C2S1,CI,0
COC(=O)C1=CC(=O)N2CCN=C2S1,CI,0
C1CSCCCSCCCSCCCSC1,CI,0
OC1CSCCCSCC(O)CSCCCSC1,CI,0
Cc1ccc2c(c1)sc1n[nH]c(=S)n12,CI,0
Cc1cc(C)c2c(c1)sc1n[nH]c(=S)n12,CI,0
COCC12CCC(OC)C34C5CC6(O)C(OC)C=C(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2,CI,0
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C=C(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(OC)C23)C14,CI,0
COC1C2CC3C4(CCC5C6(C)CCCC53C(C14)N(C)C6)CC21CCC23C4C=C5C6=C(CCC5(CC42)C3O1)C1(C)CC(C6)CN(C)C1,CM,1
CN1CC2CC3=C(CCC45CC6C(C=C34)C63CCC4(CC67CCC8C9(C)CCCC8%10C(C6CC4CC7%10)N(C)C9)OC53)C(C)(C2)C1,CI,0
C=C1C2CCC3C(CCC4C5(C)CCCC43C3OCCN3C5)(C2)C1OC(C)=O,CI,0
C=C1C2CCC3C(CCC4C5(C)CCCC43C3OCCN3C5)(C2)C1O,CI,0
CN1C(=O)c2ccccc2Cc2c(Cl)ncnc21,CI,0
CN(C)c1ncnc2c1Cc1ccccc1C(=O)N2C,CA,1
C=C1OC(OC)CC(N)C1O,CI,0
CC(=O)C(C(C)=O)=C1CCCC(O)O1,CI,0
COC1=CC2C3Cc4c(-c5cc(OC)c(O)c6c5CC5C7C=C(OC)C(=O)CC67CCN5C)cc(OC)c(O)c4C2(CCN3C)CC1=O,CI,0
COC1=CC2C3Cc4c(-c5cc(OC)c(O)c6c5CC5C7C=C(OC)C(=O)CC67CCN5C)cc(OC)c(O)c4C2(CCN3C)CC1=O.O=C(O)C(O)C(O)C(=O)O,CI,0
CN1C(=O)Cn2c(n[nH]c(=O)c2=O)-c2cc(Cl)ccc21,CI,0
CN(C)CCn1nc2n(c(=O)c1=O)CC(=O)N(C)c1ccc(Cl)cc1-2,CI,0
O=C1Oc2ccccc2C(=O)C1=C1C=C(c2ccccc2)SS1,CI,0
COc1ccc(C2=CC(=C3C(=O)Oc4ccccc4C3=O)SS2)cc1,CI,0
N=C(N)N1CCNc2ccccc2C1.O=[N+]([O-])O,CI,0
CC(C)=CCN1Cc2cccc([N+](=O)[O-])c2NCC1C,CI,0
Cc1ccc2c(c1)N=Cc1ccccc1O2,CI,0
Clc1ccc2c(c1)Oc1ccccc1C=N2,CI,0
O=c1cc2cccccc-2o1,CI,0
Cc1cc(C)c2cc(=O)oc-2c(C)c1,CI,0
Cc1ccccc1N1C(=O)CC2(CCCC2)C1=O,CI,0
O=C1CC2(CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1,CI,0
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,CI,0
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1,CI,0
Cc1c([N+](=O)[O-])oc2c1C(=O)N([N+](=O)[O-])CCC2,CI,0
Cc1c([N+](=O)[O-])oc2c1C(=O)NCCC2,CI,0
CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C,CA,1
CC=CCC(C)C(OS(=O)(=O)O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.[NaH],CM,1
C=C1C(=O)OC2C=C(CCC(C)=O)C(C)C(OC(C)=O)CC12,CI,0
C=C1C(=O)OC2C=CCCCC12,CI,0
N#CN=CN1CCN(c2ccccn2)CC1,CI,0
O=C(CCl)N1CCN(c2ccccn2)CC1,CI,0
COc1cc(Cc2nnc(Nc3ccccc3)nc2O)cc(OC)c1OC,CI,0
COc1ccc(Cc2nnc(Nc3ccc(Br)cc3)nc2O)cc1OC,CI,0
[O-][n+]1c(CCl)nc2ccccc2c1-c1ccccc1F,CI,0
N#CSCc1nc2ccc(Cl)cc2c(-c2ccccc2)[n+]1[O-],CI,0
C=C1CC2(CCOc3ccc(Cl)cc32)OC1=O,CI,0
C=C1CC2(CCOc3ccccc32)OC1=O,CI,0
COC(=O)C1c2c(C)cc3n2C(C=CC3)C1C(=O)OC,CI,0
COC(=O)C1c2c(C)cc3n2C(C=C(C)C3)C1C(=O)OC,CM,1
Nc1c(C(=O)O)sc2ncccc12,CI,0
CCOC(=O)CSc1cc(C)c2c(N)c(C(=O)OCC)sc2n1,CI,0
O=S(Cc1ccc2c(c1)OCO2)c1ccccc1,CI,0
O=S(Cc1cc2c(cc1Br)OCO2)c1ccccc1,CI,0
CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1O)C2(C)C31CO1,CI,0
CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)C(O)CC4(COC(=O)C1O)C2(C)C31CO1,CI,0
NCC=C1C2CC3CC(C2)CC1C3,CI,0
COC(=O)C=C1C2CC3CC(C2)C(O)C1C3,CI,0
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,CI,0
CCCC1(CC(=O)O)OCCc2c1[nH]c1ccccc21,CI,0
N=c1nnn(N)[nH]1,CI,0
N=c1nn[nH]n1NC(=O)NCCCl,CI,0
COc1cc2c(cc1OC)C(CSC)Cc1cc(OC)c(OC)cc1N(C)CCC2,CI,0
COc1cc2c(cc1O)C(CSC)Cc1cc(OC)c(OC)cc1N(C)CCC2,CI,0
COc1cc2c(cc1O)C(C)Cc1cc3c(cc1N(C)CC2)OCO3,CI,0
COc1cc2c(cc1O)C(CSC)Cc1cc3c(cc1N(C)CC2)OCO3,CI,0
O=C1OC(c2ccccc2)c2cccnc21,CI,0
COc1ccc(C2OC(=O)c3ncccc32)cc1,CI,0
Cn1c(=O)c2c(nnc(-c3ccccc3)[n+]2[O-])n(C)c1=O,CI,0
CN(C)c1ccc(-c2nnc3c(c(=O)n(C)c(=O)n3C)[n+]2[O-])cc1,CI,0
Cn1nc(-c2ccc(Cl)c(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2,CI,0
COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1OC,CI,0
Cn1c(=O)c2nc(-c3ccccc3)nnc2n(C)c1=O,CI,0
Cn1c(=O)c2nc(-c3ccccc3)nnc2n(CCO)c1=O,CI,0
CCSSC1(C)C(=O)N2CCCC2C(=O)N1C,CI,0
CCSSC12CCCN1C(=O)C(C)N(C)C2=O,CI,0
CCSSC12CCCN1C(=O)C1CCCN1C2=O,CI,0
CC12CCCN1C(=O)C1(C)CCCN1C2=O,CI,0
O=S(=O)(SC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)SC(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CI,0
CCOC(=O)Nc1ccc2nc(Sc3ccc(C)cc3)sc2c1,CI,0
CCOC(=O)Nc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1,CI,0
C=C1C(=O)OC2CC(C)C3C(OC(C)=O)CC(OC(C)=O)C3(C)CC12,CI,0
C=C1C(=O)OC2CC(C)C3C(O)CC(O)C3(C)CC12,CI,0
COc1cc(OC)c(C=Cc2ccncn2)c(OC)c1,CI,0
CCCCNC(=O)NNC(=O)c1cc(C=Cc2cccc([N+](=O)[O-])c2)ncn1,CI,0
Cc1cc(NCCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1,CI,0
Cc1cc(NCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1,CI,0
CC1COP(N(C(C)C)C(C)C)O1,CI,0
CCN(CC)P1OCC(C)O1,CI,0
COc1cc(C(Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)ccc1N(C)C,CI,0
COc1ccc(OC)c(C(Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)c1,CI,0
COC(=O)CCC(C)C1CCC2C3=CC(=O)C4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C21C,CI,0
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,CI,0
O=S(=O)(OC1=CCCCCCC1)C(F)(F)F,CI,0
NC(C(=O)O)C1=CCCCCCC1,CI,0
C=C(C)C12CC(C)C34OC(C=CC=CCCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14)O2,CM,1
C=C(C)C12CC(C)C34OC(CCCCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14C)O2,CM,1
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3C(=O)N(C)C(Cc4ccc(O)c(c4)Oc4ccc(cc4)C3O)C(=O)NC(C)C(=O)NC(C)C(=O)N2C)cc1,CI,0
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)cc1,CI,0
Brc1cnc2[nH]nnc2c1,CI,0
Cc1ccnc2[nH]nnc12,CI,0
CC1(C)CCNc2ccccc2S1,CI,0
CC(=O)OC1CSc2ccccc2N(C(C)=O)C1,CI,0
CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13.O=S(=O)(O)O,CI,0
CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13.Cl,CI,0
COC(=O)C1=C(OC(C)=O)c2ccccc2CS1,CI,0
COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2C(C(=S)N(C)C)S1,CI,0
COc1c(OC(C)=O)cc2c(OC(C)=O)c1CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)N2,CI,0
COC1CC(C)C(OC)c2cc(O)cc(c2O)NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C5C1C5C2C43,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C3C2C2(F)C4C12,CI,0
COc1cc2ccc3c(c2cc1OC)CCc1cn[nH]c1-3,CI,0
Oc1cc2ccc3c(c2cc1O)CCc1cn[nH]c1-3,CI,0
O=c1oc2c(-c3ccccc3)cccc2c(O)c1-c1ccccc1,CI,0
COc1ccc(-c2c(O)c3cccc(-c4ccccc4)c3oc2=O)cc1,CI,0
CC1CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F,CI,0
CC1(C)CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F,CI,0
CC1CC[P+](c2ccccc2)(c2ccccc2)Cc2ccccc21.F[P-](F)(F)(F)(F)F,CI,0
Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)CCC2C.F[P-](F)(F)(F)(F)F,CI,0
COC1=NC2=CC(=O)c3c(c(OC(C)=O)c(C)c4c3C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(OC(C)=O)C(C)C=CC=C1C)O4)C2=O,CI,0
COC1=NC2=CC(=O)c3c(c(O)c(C)c4c3C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C1C)O4)C2=O,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C1C,CI,0
CC(C)(C)C1=CC(=O)C(Cl)(C(C)(C)C)C(Cl)C1=O,CI,0
CC1(C)C(=O)C(C(Cl)(Cl)Cl)=C(Cl)C(=O)C1(Cl)Cl,CI,0
CCCCCCCCN1CCCN(N=Cc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)CC1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3N(c4ccccc4Cl)C32C#N)C1,CI,0
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3N(c4ccccc4)C32C(C)=O)C1,CI,0
Cc1nonc1C(=O)NN,CI,0
NCCCc1nonc1C(=O)O,CI,0
CC1C=CC(C(=O)O)C2C(=O)OC(=O)C12,CI,0
CCOC(=O)C1=C(C)CC2C(=O)OC(=O)C2C1(C)C,CI,0
O=c1[nH]c(=O)ss1,CM,1
CC(C(=O)O)n1c(=O)ssc1=O,CM,1
c1ccc2c(NCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1,CI,0
COc1ccc2c(NCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1,CI,0
Cc1cc(NC(=O)Nc2cc(F)ccc2F)no1,CI,0
Cc1cc(NC(=O)Nc2ccc(F)cc2)no1,CI,0
COc1ccc(OC)c(NC(=O)Nc2nccs2)c1,CI,0
O=C(Nc1nccs1)Nc1cc(C(F)(F)F)ccc1Cl,CI,0
COc1ccc(C(Nc2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1,CI,0
Cc1ccc(NC(c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1,CI,0
COC1OC2COc3ccccc3OC2C(NC#N)C1OC,CI,0
COC1OC2COc3ccccc3OC2C(NC(N)=S)C1OC,CI,0
Cc1nc(N)nc(N)c1CCCc1ccccc1,CI,0
Nc1nc(N)c(CCCc2ccccc2)c(N)n1,CI,0
S=C(NN=Cc1cccc2ccccc12)Nc1c(Cl)cccc1Cl,CI,0
COc1ccc(OC)c(NC(=S)NN=Cc2cccc3ccccc23)c1,CI,0
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CI,0
O=c1oc(-c2ccccc2NS(=O)(=O)c2ccccc2)nc2cc(Cl)ccc12,CI,0
N#CC1=C(N)CCC(C#N)(c2ccccc2)C1,CI,0
CCOC(=O)C1CC=CC(NC(=O)OC(C)(C)C)C1(c1ccccc1)[N+](=O)[O-],CI,0
CC(=O)NS(=O)(=O)c1ccc(N=Cc2ccc3c(c2)OCO3)cc1,CI,0
Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1C,CI,0
CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1,CI,0
CCN(C(=O)c1ccccc1C)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1,CI,0
O=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1,CI,0
COc1ccc(C(=O)CC(c2ccc(OC)c(OC)c2)c2c(O)c3ccccc3oc2=O)cc1OC,CI,0
NC(=O)NN=C1CSSC1,CM,1
NC(=S)NN=C1CSSC1,CI,0
CCOC(=O)c1c(N)[nH]c(SSc2[nH]c(N)c(C(=O)OCC)c2C(=O)OCC)c1C(=O)OCC,CI,0
CCOC(=O)c1c(NC(=O)C(F)(F)F)[nH]c(SSc2[nH]c(NC(=O)C(F)(F)F)c(C(=O)OCC)c2C(=O)OCC)c1C(=O)OCC,CI,0
NC(Cc1csc2ccccc12)C(=O)O,CI,0
CN(C)CCNc1c([N+](=O)[O-])sc2ccc(Cl)cc12,CI,0
COc1ccc(C=C2N=C(C=Cc3ccccc3)OC2=O)cc1OC,CI,0
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)OC1=O,CI,0
Cc1ccnc(NC(=O)NC2CCCCC2)c1,CI,0
O=C(Nc1ccccn1)NC1CCCCC1,CI,0
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CC1CCCO1,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1CC1CCCO1,CI,0
CC12CCC(c3sc(N)c(C#N)c31)C2(C)C,CI,0
Fc1sc2c(c1F)C1CCC2C1,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1C(Cc1ccccc1)c1ccccc1,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1C(Cc1ccccc1)c1ccccc1,CI,0
N#Cc1c(N=Cc2cc(Cl)cc(Cl)c2O)sc2c1CCC2,CI,0
N#Cc1c(N=Cc2ccccc2Cl)sc2c1CCC2,CI,0
CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(C(N)=O)OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
CNCC(=O)NC(CO)C(=O)NC1C(C(N)=O)OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C56CC7CC(CC(C7)C5)C6)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CCCCCCCCN(N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4)C12CC3CC(CC(C3)C1)C2,CI,0
COc1ccc(Nc2cc(N)nc(N)n2)c(S)n1,CI,0
Nc1cc(Nc2ccc(Cl)nc2S)nc(N)n1,CI,0
COc1ccc2c(n1)Sc1c(Cl)nc(N)nc1N2,CI,0
Nc1ncnc2c1Sc1nc(Cl)ccc1N2,CI,0
O=S(=O)(Cc1ccccc1)C(I)c1ccccc1,CI,0
NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1,CI,0
Clc1ccc(-c2cc[s+]s2)cc1.O=S(=O)(O)O,CI,0
CSc1cc(-c2ccc(Cl)cc2)s[s+]1,CM,1
CC1(C)C2CCC(CNC(=N)CSS(=O)(=O)O)C1C2,CI,0
CC(CC1C2CCCC1C2)=NNC(N)=O,CI,0
Cn1c2ccccc2[n+]2c(N)scc12,CI,0
Nc1scc2[nH]c3ccccc3[n+]12,CI,0
N=C(CSSCC(=N)NCCCCCSC12CC3CC(CC(C3)C1)C2)NCCCCCSC12CC3CC(CC(C3)C1)C2.O=S(=O)(O)O,CI,0
CC12CC3CC(C)(C1)CC(SCCCCCNC(=N)CSSCC(=N)NCCCCCSC14CC5CC(C)(CC(C)(C5)C1)C4)(C3)C2.O=S(=O)(O)O,CI,0
CCOC(=O)C1(Cc2ccccc2)SCCCS1,CI,0
O=C(O)C1(C(O)c2ccccc2)SCCCS1,CI,0
O=C1COc2ccc(F)cc2N1,CI,0
CC(=O)NC(ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl,CI,0
Cc1cc(C)[s+]s1,CI,0
CSc1s[s+]c(SC)c1[O-],CI,0
Cc1cc(-c2ccccc2)[s+]s1,CI,0
O=C(O)CSc1cc(-c2ccc(Cl)cc2)[s+]s1,CI,0
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,CI,0
COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1,CI,0
CC1CCCC(C)[N+]1=C(Nc1cccc(Cl)c1)c1ccccc1,CI,0
Clc1cccc(NC(c2ccccc2)=[N+]2CCCCC2)c1,CI,0
Clc1nn2nnnc2c2ccccc12,CI,0
CCOC(=O)C(=[N+]=[N-])C(=O)Nc1nn2nnnc2c2ccccc12,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5nc6c(N)ncnc6n5C5OC(CO)C(O)C5O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNc5nc6c(N)ncnc6n5C5OC(CO)C(O)C5O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CC12CCCCC1CC(=O)C(=CO)C2,CI,0
C=CC12CCCCC1CC(=C(O)OC)C(=O)C2,CI,0
CC(=O)OCC1OC(OC2=C(c3ccccc3)C(=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)=C(c3ccccc3)C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COC(=O)C1OC(OC2=C(c3ccc(OC)cc3)C(=O)C(OC3OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)=C(c3ccc(OC)cc3)C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1ccc(C(C)(O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1,CI,0
O=S(=O)(c1ccccc1)n1c(C(O)c2ccccc2)cc2ccccc21,CI,0
O=C(NC(=S)Nc1ccccn1)c1ccccc1,CI,0
Cc1cccc(NC(=S)NC(=O)c2ccccc2)n1,CI,0
CC1=NCC(C)NC(C)(C)CC(C)=NCCNC(C)(C)C1.F[B-](F)(F)F,CI,0
CC1=NC(C)CNC(C)(C)CC(C)=NC(C)CNC(C)(C)C1.[O-][Cl+3]([O-])([O-])O,CI,0
CN(C)CC1C(OC(=O)C(O)(c2ccccc2)C2CCCC2)C2CCN1CC2,CI,0
O=C(OC1CN2CCC1CC2)C(c1ccccc1)C1(O)CCCC1,CI,0
O=C(O[Bi](c1ccccc1)c1ccccc1)C(F)(F)F,CI,0
CCC(=O)O[Bi](c1ccccc1)c1ccccc1,CI,0
FC1(F)SC2C3CCC(C3)C2C1(F)F,CI,0
COC(=O)C1CC2CC1C1C2SC(F)(F)C1(F)F,CI,0
NC(=S)NN=C1COC(C(F)(F)F)(C(F)(F)F)C1,CI,0
ON=C1COC(C(F)(F)F)(C(F)(F)F)C1,CI,0
Clc1ccc2sc3c(c2c1)CCNC3,CI,0
O=C(O)N1CCc2c(sc3ccccc23)C1,CI,0
CCOC(=O)CCCN(C(=O)c1ccccc1)c1scc(-c2ccccc2)c1C(=O)OCC,CI,0
CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)csc1NC(=O)c1ccccc1,CI,0
O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CI,0
CC(=O)n1c(=O)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21,CI,0
CN(C)CC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2,CI,0
CC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl,CI,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,CI,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CI,0
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21,CI,0
Cc1ccc2c(c1)Nc1ccccc1C(=O)N2,CI,0
CN(C)C=C1C(=O)c2ccccc2C1=O,CI,0
CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)c2ccccc2C1=O,CI,0
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,CI,0
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1.NCCCCN,CI,0
CN(C)c1nn2c(-c3ccccc3)nnc2o1,CI,0
CCCc1nn2c(-c3ccccc3)nnc2o1,CI,0
CN(C)c1nn2c(-c3ccccc3)nnc2s1,CI,0
CCCCCCc1nn2c(-c3ccc(C)cc3)nnc2s1,CI,0
CCSC(=O)N1c2ccc(OC)cc2C=CC1C#N,CI,0
CC1C(O)=C(O)c2ccccc2N1O,CI,0
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24,CI,0
CCC(C)C(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C(O)C(O)C4(C)OCC23C14,CI,0
OCc1ccc[n+](CCc2c[nH]c3ccccc23)c1,CI,0
COc1cc(C(C)O)c[n+](CCc2c[nH]c3ccccc23)c1.[Br-],CI,0
S=C(Nc1ccccc1)Nc1ccccc1S,CI,0
CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccccc1,CI,0
COc1cccc(C=Cc2cnc3ccccc3n2)c1OC,CI,0
COc1ccc(C=Cc2cnc3ccccc3n2)cc1OC,CI,0
Nn1nc2ccccc2n1,CI,0
COC(=O)C=C(C)n1nc2ccccc2n1,CI,0
c1ccc(-c2nn3c(-c4ccccc4)nnc3o2)cc1,CI,0
Cc1ccc(-c2nn3c(-c4ccccc4)nnc3o2)cc1,CI,0
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,CI,0
CSc1c(C#N)c(O)nc2[nH]nc(C)c12,CI,0
CCOc1cc(C2=NN3C(=S)NNC3=NN2)ccc1O,CM,1
COc1ccc(C2=NN3C(=S)NNC3=NN2)cc1OC,CI,0
NC(C(=O)O)C1CC(Cl)=NO1,CI,0
C=CCCCC(C)(C(=O)OC(C)(C)C)C1=NOC(C)(C)C1,CI,0
O=C1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2CCC1C2,CI,0
CC(=O)OC1CC2C(=C[N+](=O)[O-])C(=O)C1(C)C2(C)C,CI,0
COC(=O)C(CSCc1ccccc1)NC(=O)CNC(=O)c1ccccc1,CI,0
O=C(CNC(=O)c1ccccc1)NC(CSCc1ccccc1)C(=O)O,CI,0
NC1CS(=O)(=O)CC1O,CI,0
CCOC(=O)NC1CS(=O)(=O)CC1Cl,CI,0
N#CCCC1C(=O)CCCC1=O,CI,0
CC1(CC(=O)O)C(=O)CCCC1=O,CI,0
CCOC(=O)C(=O)CC1=CC=CC2=NC(=O)CCN12,CI,0
O=C1N=C2C=CC=CN2CC1O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccc(C(c2c(O)c3ccc(O)cc3oc2=O)c2c(O)c3ccc(O)cc3oc2=O)cc1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
CC(=O)OCc1cc(=O)n(C)c2c3c4c(cc12)c(C)cc(=O)n4CO3,CI,0
Cc1cc(=O)n2c3c(c4c(cc13)c(CO)cc(=O)n4C)OC2,CI,0
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O,CI,0
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O,CI,0
C[Si](C)(C)N1N=NC2C(=O)N(c3ccccc3)C(=O)C21,CI,0
O=C1C2N=NNC2C(=O)N1c1ccccc1,CI,0
CC1=Nc2ccccc2NC(C)(C)C1,CI,0
CC1=Nc2ccccc2NC(C)(C)C1.[O-][Cl+3]([O-])([O-])O,CI,0
COc1ccc2c(c1)C(=O)CC=C(C(=O)O)N2,CI,0
Cc1ccc2c(c1)C(=O)CC=C(C(=O)O)N2,CI,0
Cn1[nH]c(=N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23,CM,1
Cn1[nH]c(=N)c2cn(C3OC(COP(=O)(O)O)C(O)C3O)c3ncnc1c23,CM,1
Cc1ccc(N2CC(O)CSC2=Nc2ccccc2)cc1,CI,0
COc1ccccc1N1CCCSC1=Nc1ccccc1,CM,1
Cc1sc2ncnc(N)c2c1C,CI,0
CCOC(=O)Cc1nc(Cl)c2c(C)c(C)sc2n1,CI,0
CC(=O)C(=O)N1Cc2cc3ccccc3nc2C1,CI,0
COCC(C)(C)N=CN1Cc2cc3ccccc3nc2C1,CI,0
O=C1N=NC(=O)N1c1ccccc1,CI,0
O=C1N=NC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
O=C1c2cscc2C(=O)c2c(Cl)sc(Cl)c21,CI,0
O=C1c2cscc2C(=O)c2cscc21,CI,0
CCOC(=O)c1sc(C(=O)O)cc1-c1cccs1,CM,1
O=C(O)c1cc(-c2cccs2)c(C(=O)O)s1,CI,0
O=C(O)c1ccsc1Cc1cccs1,CI,0
CC(=O)c1ccc(Cc2ccc(C(C)=O)s2)s1,CI,0
O=C(O)c1cscc1Cc1ccccc1,CI,0
O=C(O)C(O)(c1ccccc1)c1ccsc1,CI,0
N#CC(=Cc1cccs1)c1ccccc1,CI,0
O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1cccs1,CI,0
O=C(O)c1sccc1-c1cccc2ccccc12,CI,0
O=C(O)c1cscc1-c1cccc2ccccc12,CI,0
CCOC(=O)c1c(-c2ccccc2)csc1N,CM,1
CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)csc1N,CI,0
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.O=S(=O)(O)O,CI,0
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(N)=O)C3O)c3c[nH]cn3)C(C)O)n2)n1.O=S(=O)(O)O,CI,0
CCOC1OCN(C)CC1(C)C,CI,0
COC(=O)C1CCOC(C)N1C(=O)OC(C)(C)C,CI,0
COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5,CI,0
COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC.[Cl-],CI,0
O=C1Nc2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c23,CI,0
O=C1Nc2ccc([N+](=O)[O-])c3c(C(=O)O)ccc1c23,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5ccccc5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5cccc(C)c5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCOCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCOCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C1C,CI,0
O=[N+]([O-])c1ccc(C[N+]23CCN(CC2)CC3)cc1,CI,0
Brc1ccc(C[N+]23CCN(CC2)CC3)cc1,CI,0
COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C,CI,0
COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CCC(C)C,CI,0
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,CI,0
CC(C)CCN=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,CI,0
CC(=O)C1=C(O)C(c2ccccc2)c2ccccc21,CI,0
CN(C)CCC1(c2ccccc2)C=Cc2ccccc21,CI,0
O=C(Nc1ccccc1)C(c1ccccc1)N(Nc1ccccc1)c1ccccc1,CI,0
O=C(Nc1ccccc1)C(c1ccccc1)N(Nc1ccccc1Cl)c1ccccc1Cl,CI,0
CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)=NNc1ccccc1,CI,0
CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CCOc1ccc(N=c2ssc(SC)c2-c2ccccc2)cc1,CI,0
COc1ccc(N=c2ssc(SC)c2-c2ccccc2)cc1,CI,0
CC(C)CC(NC(=O)C(CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NN,CI,0
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC,CI,0
C=C1C(=O)OC2CC(C)C3CC(O)OC(OCC)C3(C)CC12,CI,0
C=C1C(=O)OC2CC(C)C3CC(OC)OC(OC)C3(C)CC12,CI,0
CCOC(=O)C1C(=O)CC2c3nc4ccccc4cc3CN2C1=O,CI,0
CCOC(=O)C1(C)C(=O)CC2c3nc4ccccc4cc3CN2C1=O,CI,0
COC(=O)C(C(C[N+](=O)[O-])c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
c1ccc(CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O,CI,0
OCC1=CCN2CC(O)C(O)C12,CI,0
COC1CN(C)C(=Nc2cccc3ccccc23)S1,CI,0
Br.CCOC1CN(C)C(=Nc2cccc3ccccc23)S1,CI,0
CN(C)c1ncnc2c1ncn2C1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC21,CI,0
Nc1ncnc2c1ncn2C1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC21,CI,0
CC1=CC(C)C(=O)N(C)C(C)=C1,CI,0
CCN1C(=O)C(C)C=C(C)C=C1C,CI,0
CC(C)(O)CCC(=O)C(C)(O)C1CCC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C,CI,0
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C,CI,0
Cc1ccc(S(=O)(=O)SCC(=O)c2ccc(Br)cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
Cc1nc2c(O)ncnc2o1,CI,0
Cc1nc2c(N)ncnc2o1,CI,0
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(CO)C(O)C(O)C2O)C1,CI,0
C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(O)CCC23C)C1,CI,0
COC(=O)C(C)(C)C(OP1(=S)OCCN1C)=C(C)C,CI,0
CC(C)=C(OP1(=S)OCCN1C)C(C)(C)C(=O)N(C)C,CI,0
O=C1NN=C2CCCCCCC12Cl,CI,0
O=C1NN=C2CCCCCCC12,CI,0
Cn1cnc(N)c1S(=O)(=O)Nc1ccccc1Cl,CI,0
Cc1ccccc1NS(=O)(=O)c1c(N)ncn1C,CI,0
O=C1C=C(c2ccccc2)C(c2ccccc2)C1O,CI,0
COC(=O)C1=C(c2ccccc2)C(O)(c2ccccc2)C(C(=O)OC)C1=O,CI,0
O=C(O)C1CSC2c3ccccc3C(=O)N12,CI,0
CC1(C)SC2c3ccccc3C(=O)N2C1C(=O)O,CI,0
CCC1=C(CC2NCCc3cc(OC)c(OC)cc32)CC2c3cc(OC)c(OC)cc3CCN2C1,CI,0
CCC1=C(CC2NCCc3ccccc32)CC2c3cc(OC)c(OC)cc3CCN2C1,CI,0
NC(=O)c1cc2ccccc2[n+](Cc2ccc(F)cc2)c1,CI,0
CC(C(N)=O)N(C)C(=O)c1cc2ccccc2[n+](Cc2ccccc2)c1.[Br-],CI,0
CN1CCN(C)c2nc3ccccc3nc21,CI,0
COC1Nc2nc3ccccc3nc2NC1OC,CI,0
Clc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1,CI,0
COc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1,CI,0
FC(F)(F)c1cc(Cl)c2ccc3ccccc3c2n1,CI,0
Cc1cc(NCCO)nc2c1ccc1ccccc12,CI,0
Nc1ccc(F)cc1-c1nc2ccc(F)cc2c2nc3ccccc3n12,CI,0
Cc1ccc2c(c1)nc1c3ccccc3nc(-c3ccccc3N)n21,CI,0
O=C1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1,CI,0
COC(=O)C1C(=O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,CI,0
O=C(O)C=CCCC1SCC2NC(=O)NC21,CI,0
CC(CCCC1SCC2NC(=O)NC21)C(=O)O,CI,0
CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1,CI,0
CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1,CI,0
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,CI,0
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCC(=O)NCCCN(C)C)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C.Cl,CI,0
CC=C1CN2CCC34c5ccccc5N5C(=O)CCC(C1CC23)C54,CI,0
O=C1CCC2C3CC4N(CCC45c4ccccc4N1C25)CC3=CCBr,CI,0
CC1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3,CI,0
COc1c2c(cc3c1C(=O)Cc1ccc4c(c1CN(C)CC3)OCO4)OCO2,CI,0
C=C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCSC(SC)=C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCCCSC1=NCCCS1,CI,0
COC(=O)C1N=CSCC1(C)O,CI,0
Clc1ccc(CNNCc2cccc(Cl)c2)cc1,CI,0
COc1ccc(CNNCc2ccc(OC)cc2)cc1,CI,0
O=CN(CCNc1ccccc1)c1ccccc1,CI,0
CC(=O)CC(=O)N(CCN(C(=O)CC(C)=O)c1ccccc1)c1ccccc1,CI,0
O=S(=O)(O)OC1CCCCC1Nc1ccccc1,CI,0
CNC(=O)N(CCC#N)C1CCCCC1N(C(=O)NC)c1ccccc1,CI,0
N=c1nc2c3ccccc3nnn2c(=N)[nH]1,CI,0
Cc1ccc2nnn3c(=N)[nH]c(=N)nc3c2c1,CI,0
CC=Cc1cc2c(c(=O)o1)C(=O)C(O)C(C)O2,CI,0
Cc1cc2c(c(=O)o1)C(=O)CC(C)O2,CI,0
COc1cc2c(cc1OC)C[N+]1(C)CCc3cc(OC)c(OC)cc3C1C2,CI,0
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3C[N+]1([O-])CC2,CI,0
O=P(c1ccccc1)(c1ccccc1)N1N=NNC1=Cc1ccccc1,CI,0
O=P(c1ccccc1)(c1ccccc1)N1N=NNC1=Cc1ccc(Cl)cc1,CI,0
CC(C)C1CC=CCC12C(=O)NC(=O)NC2=O,CI,0
CC1=C(C)CC2(CC1)C(=O)NC(=O)NC2=O,CI,0
CC1=CC(=O)Nc2ccccc2S1,CI,0
O=C1C=CSc2ccccc2N1,CI,0
CCC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-],CI,0
CC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-],CI,0
O=[N+]([O-])c1cccc(C2ON2C2CCCCC2)c1,CI,0
Clc1ccc(C2ON2C2CCCCC2)cc1,CI,0
Cc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2s1,CI,0
O=c1[nH]c2ncsc2c(=O)n1OS(=O)(=O)c1ccccc1,CI,0
CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C1=O,CI,0
CC(C)=CCc1c(O)c(CC2=C(O)C(CC=C(C)C)(C(=O)C(C)C)C(O)=C(C)C2=O)c(O)c(C(=O)C(C)C)c1O,CI,0
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,CI,0
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CI,0
Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)n(C)c1=O,CI,0
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)n1,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCNCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0
CC1(C)c2ccccc2C(C)(C)[N+]1(C)C,CI,0
CCC1(CC)c2ccccc2C(CC)(CC)[N+]1(C)C,CI,0
O=C1CC(Cc2nn(-c3ccccc3)c3c2CCCC3)CC(=O)N1,CI,0
CC1CCc2c(c(CC3CC(=O)NC(=O)C3)nn2-c2ccccc2)C1,CI,0
CC(=O)N1C(=O)C(=NNc2ccccc2[N+](=O)[O-])c2ccccc21,CI,0
CN1C(=O)C(=NNc2ccccc2[N+](=O)[O-])c2ccccc21,CI,0
CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2C1C(=O)O,CI,0
CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,CI,0
CC1(Cl)C(=O)NN=C1c1ccc([N+](=O)[O-])cc1,CI,0
COc1ccc(C2=NNC(=O)C2(C)Br)cc1,CI,0
COC1C=CC23c4cc5c(cc4C(O)OC2CN(C)C3C1)OCO5,CI,0
COC1C=CC23c4cc5c(cc4COC2(O)CN(C)C3C1)OCO5,CI,0
CN(Cc1c(S)ccc2ccccc12)Cc1c(S)ccc2ccccc12,CI,0
Oc1ccc2ccccc2c1CNCc1c(O)ccc2ccccc12,CI,0
CCN(CC)CCCNc1ncnc2c1C(c1ccccc1)c1ccccc1-2,CI,0
Oc1ncnc2c1C(c1ccccc1)c1ccccc1-2,CI,0
O=C1C(O)=C(Sc2ccccc2)C(=O)c2ccccc21,CI,0
O=C1C(O)=C(Sc2ccc(Cl)cc2)C(=O)c2ccccc21,CI,0
CC1c2nc(N)nc(N)c2CN1C(=O)c1ccccc1,CI,0
Cc1nc(N)c2c(n1)C(C)N(C(=O)c1ccccc1)C2,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1Cc1ccccc1,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccccc1,CI,0
C=CCOc1cc2c(ccc1=O)-c1c(cc(OC)c(OC)c1OC)CCC2NC(C)=O,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1C(NC(C)=O)CC2,CI,0
O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0
O=c1n(-c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)n1-c1ccc(Cl)c(Cl)c1,CI,0
COc1ccc2c3c1OC1C4(OC)C=CC5(c6c(OC)ccc(O)c64)C(C2)N(C)CCC315,CI,0
COc1ccc2c3c1OC1(C)C4(OC)C=CC5(c6c(O)ccc(O)c64)C(C2)N(C)CCC351,CI,0
O=c1ccn(Cc2ccccc2)c(=S)[nH]1,CI,0
Cc1cn(Cc2ccccc2CCO)c(=S)[nH]c1=O,CI,0
COc1ccc2c3c([n+](C)cc2c1OC)-c1cc2c(cc1C3)OCO2.O=[N+]([O-])O,CI,0
COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2,CI,0
CCCCCC1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O,CI,0
CCCCC1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O,CI,0
CC12NC(=O)NC(=O)N1CCS2,CI,0
CC(C)C12NC(=O)NC(=O)N1CCS2,CI,0
O=C1c2ccccc2-c2c(Br)c3ccccc3c(=O)n21,CI,0
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CI,0
Nc1c(N=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1,CI,0
O=c1c(F)cn(Cc2c(Cl)cccc2Cl)c(=O)n1Cc1c(Cl)cccc1Cl,CI,0
Cc1ccccc1NP1(=O)OCCCN1Cc1ccc(Cl)c(Cl)c1,CI,0
O=P1(Nc2ccccc2)OCCCN1Cc1ccc(Cl)c(Cl)c1,CI,0
O=C(O)CC1(CC(=O)Nc2nccs2)CCCCC1,CI,0
CC(C)(C)C1CCC(CC(=O)O)(CC(=O)Nc2nccs2)CC1,CI,0
NC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(N)=O)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1,CI,0
CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1,CI,0
O=C1C(=Cc2ccccc2Cl)CCCCC1=Cc1ccccc1Cl,CI,0
O=C1C(=Cc2ccccc2)CCCCC1=Cc1ccccc1,CI,0
Cc1ccc(Oc2nc(Cl)nc(Oc3ccc(C)cc3)n2)cc1,CI,0
C=C(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1,CI,0
CN1C(=O)C(O)Nc2ncncc21,CI,0
CCOC(=O)C1(O)Nc2ncncc2N(C)C1=O,CI,0
Cn1cnc2c(C#N)c(C#N)nn2c1=O,CI,0
Cc1nn2c(=O)[nH]cnc2c1Cl,CI,0
COc1ccc(C(=O)C2COC(=O)C2=O)cc1OC,CI,0
O=C1OCC(C(=O)c2cccc(O)c2)C1=O,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1scc[n+]12,CI,0
Cc1csc2[nH]c3ccccc3[n+]12.[O-][Cl+3]([O-])([O-])O,CI,0
Cc1c(C)c(C)c2c(c1C)CC2=O,CI,0
COc1ccc2c(c1OC)C(=O)C2,CI,0
CCOC(=O)C(C#N)=C1SSC(=C(C#N)C(=O)OCC)S1,CI,0
CSC(=O)C=C1SSC(=CC(=O)SC)S1,CI,0
NC(=O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCC1,CI,0
CN1C(=O)C2(C#N)C3(CCCC3)C2(C#N)C1=O,CI,0
CCOC(=O)c1no[n+]([O-])c1C(=O)OCC,CI,0
Cc1c(C=CC(=O)O)no[n+]1[O-],CI,0
Cc1cc(O)nc(NN=Cc2ccc(Cl)c(Cl)c2)n1,CI,0
Cc1nc(NN=Cc2ccccc2Cl)nc(O)c1CCO,CI,0
O=S(=O)(O)c1cc(O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34,CI,0
CC(=O)OC(OC(C)=O)c1ccc2ccc3cccc4ccc1c2c34,CI,0
O=C(O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCCC1,CI,0
O=CNC12C(=O)NC(=O)C1(C(=O)O)C21CCCCC1,CI,0
N#CC1(C#N)C(C#N)(C#N)C12CCCC2,CI,0
COC(=O)C1(C(=O)OC)C2(CCCC2)C1(C(=O)OC)C(=O)OC,CI,0
CN1C(=O)C2(C#N)C(C)(C)C2(C#N)C1=O,CI,0
CC1(C)C2(C(N)=O)C(=O)NC(=O)C12C(=O)O,CI,0
O=C(Nc1ccccc1S)OCc1ccccc1,CM,1
COc1cc(COC(=O)N(CC(=O)O)c2ccccc2)c([N+](=O)[O-])cc1OC,CI,0
O=c1onc(-c2ccccc2)c2ccccc12,CI,0
COc1ccc(-c2noc(=O)c3ccccc23)cc1,CI,0
CCOC(=O)c1cc(C(=O)OCC)c2ccccn2c1=O,CI,0
COC(=O)c1cc(C(=O)O)c(=O)n2ccccc12,CI,0
Nc1ccccc1C=C1Sc2cc[nH]c2C1=O,CI,0
CN(C)Cc1c[nH]c2c1SC(=Cc1ccccc1)C2=O,CI,0
CSC1OC(C)(C)OC1=O,CI,0
CC1(C)OC(=O)C(CC(=O)O)O1,CI,0
CC(C=NNC(=N)N)=NNC(=N)N.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,CI,0
O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2c1O,CI,0
O=C(O)C1(C(=O)O)CC2C3C=CC(C3)C2C1,CI,0
OCC1(CO)CC2C3C=CC(C3)C2C1,CI,0
Cc1ccc(OP2(=O)Nc3ccccc3S2)cc1,CI,0
O=P1(Oc2ccccc2)Nc2cc(Cl)ccc2S1,CI,0
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4,CI,0
COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4,CI,0
O=C1O[Cu-3]2(Oc3c(I)cc(I)cc31)Oc1ccc([N+](=O)[O-])c3ccc[n+]2c13,CI,0
O=C1O[Cu-3]2(Oc3ccccc31)Oc1cccc3ccc[n+]2c13,CI,0
CNc1ccc(C=C2c3ccccc3-c3ccccc32)cc1,CI,0
CN(C)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1,CI,0
O=[N+]([O-])c1cccc(C=NNC2=CS(=O)(=O)C=C2)c1,CI,0
O=C(O)c1ccccc1C=NNC1=CS(=O)(=O)C=C1,CI,0
CC(C)(C)C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2,CI,0
C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2,CI,0
CCC12CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2.O=S(=O)(O)O,CI,0
CCC12CN3CC(CC(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)c4[nH]c5ccccc5c4CC3CC(C)=O)C1O2,CI,0
c1ccc2[nH]c(-c3cscn3)nc2c1,CI,0
CCOC(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1,CI,0
CC1CCCC=CC2CC(O)CC2C(O)C=CC(=O)O1,CI,0
CC1CCCC=CC2CC(OC(=O)CN(C)C)CC2C(O)C=CC(=O)O1,CI,0
CC1=C(O)C(=O)C(C2=C(O)C(=O)C(C)=C(O)C2=O)=C(O)C1=O,CI,0
CC(C)(C)CC1=CC(=O)C(C2=CC(=O)C(CC(C)(C)C)=CC2=O)=CC1=O,CI,0
CN1c2ccccc2NP1(=S)Oc1ccccc1,CI,0
O=[N+]([O-])c1ccc2c(c1)NP(=S)(Oc1ccccc1)N2,CI,0
Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)C(O)OC3=O,CI,0
COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O,CI,0
CCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O,CI,0
CCCCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O,CI,0
Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1,CI,0
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,CI,0
CC(C)(N)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O,CI,0
CC1(C)C(=O)N2CCSC21,CI,0
COc1cc2c(c(OC)c1OC)C1CCCCC1SCC2=O,CI,0
COc1ccc2c(c1OC)C1CCCCC1SCC2=O,CI,0
CN1CCC(CNC(=O)CCCCCCCCC(=O)NCC2(c3ccccc3)CCN(C)CC2)(c2ccccc2)CC1,CM,1
O=C(CCCCCCCCC(=O)NCC1(c2ccccc2)CCNCC1)NCC1(c2ccccc2)CCNCC1,CI,0
CCC1C(c2ccccc2)=CCC(C(=O)O)C1C,CI,0
CC(=O)NC(C)(C)C1CCC(C)=C(c2ccccc2)C1,CI,0
Cc1ccc2c(ccc(C=Cc3cc(C)c4cccnc4c3O)[n+]2C)c1,CI,0
CCOc1ccc2c(ccc(C=Cc3cc(C)c4cccnc4c3O)[n+]2C)c1,CI,0
Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(C)c3nc2n(C)c1=O,CI,0
Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(CC(N)=O)c3nc2n(C)c1=O,CI,0
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O,CI,0
COC1CC(C)(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O,CI,0
Cn1cnc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c21,CI,0
CSc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2n1C,CI,0
Cc1ccc2c(ccc(C=Cc3ccc(O)c4ncccc34)[n+]2C)c1,CI,0
CCOc1ccc2c(ccc(C=Cc3ccc(O)c4ncccc34)[n+]2C)c1,CI,0
O=C(c1ccc([N+](=O)[O-])cc1)c1no[n+]([O-])c1C(=O)c1ccc([N+](=O)[O-])cc1,CI,0
Cc1cc(C)c(C(=O)c2no[n+]([O-])c2C(=O)c2c(C)cc(C)c(Br)c2C)c(C)c1Br,CI,0
CC(=O)OC1C2C(CC(C)C3C=CC(=O)C31C)OC(=O)C2C,CI,0
C=C(C)C(=O)OC1C2C(C)C(=O)OC2C(O)C(C)C2C=CC(=O)C21C,CI,0
C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(O)C12,CI,0
C=C1C(=O)OC2CC(C)C3C=CC(=O)C3CC12,CI,0
N=C(N)SCC1OCOC1C1OCOC1CSC(=N)N,CI,0
CCOC(=O)C(CC1OC(C)(C)OC1C1COC(C)(C)O1)=NO,CI,0
CCC1SC(C)C(=O)NC1=O,CI,0
CCC1(CC)SCC(=O)NC1=O,CI,0
O=C(O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O,CI,0
CN(C)CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3,CI,0
O=Cc1ccccc1OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(OCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1,CI,0
Nc1cnn2cnnc2c1,CI,0
Cc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12,CI,0
Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(=O)n(C)c21,CI,0
Cn1c(=O)[nH]c2c([nH]c(=O)c(=O)n2C)c1=O,CI,0
COCN1CCC2N(COC)CCC3N(COC)CCC1N23,CI,0
CC1CC2NC(C)CC3NC(C)CC(N1)N32,CI,0
Clc1ccc(C=NN2CCCCCC2)c(Cl)c1,CI,0
Clc1ccc(C=NN2CCCCCC2)cc1Cl,CI,0
CC(C)(C)C1=CC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O,CI,0
O=C1C=C(O)C(=Cc2c(O)cc(O)cc2O)C(O)=C1,CI,0
Sc1ccc2ccccc2c1CN1CCOCC1,CM,1
Oc1ccc2ccccc2c1CN1CCOCC1,CM,1
O=C(O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CI,0
O=C1c2ccccc2-c2cccc3cccc1c23,CI,0
O=C(O)C1CC2C3CC(C(=O)O)C(C3)C2C1,CI,0
O=NC1C(Cl)C2CC1C1C(Br)C(Br)CC21,CI,0
O=C1NCc2c(O)nc(O)nc21,CI,0
Nc1nc(O)c2c(n1)C(=O)NC2,CI,0
Cc1n[nH]c(=S)n1NC=O,CI,0
NNc1n[nH]c(=S)n1N,CI,0
COC(=O)C1CC23CCCN4CCC5(c6ccccc6N(C=O)C15CC2)C43,CI,0
COC(=O)C1CC23CCCN4CCC5(c6cccc(OC)c6N(C=O)C15CC2)C43,CI,0
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,CI,0
CCCCCC=C1c2ccccc2C=Cc2ccccc21,CI,0
CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1,CI,0
CCC1(CC2CCCN(C)C2)c2ccccc2Sc2ccccc21.O=C(O)C(=O)O,CI,0
O=C(Nc1ccc(C2=NCC(O)CN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCC(O)CN3)cc2)cc1,CM,1
CC1CN=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=NCC(C)CN5)cc4)cc3)cc2)NC1,CI,0
C1CNCCN1.Oc1cc(Cl)c(Cl)cc1Cl,CI,0
NCCCN1CCN(CCCN)CC1.O=C(O)c1ccc(C(=O)O)cc1,CI,0
c1nc(SSc2ncnc3[nH]cnc23)c2nc[nH]c2n1,CI,0
CCCCn1cnc2c(SSc3ncnc4c3ncn4CCCC)ncnc21,CI,0
Nc1ncnc2c1S(=O)(=O)NCN2,CI,0
CSc1nc(N)c2c(n1)NCNS2(=O)=O,CI,0
O=Nc1c(-c2ccccc2)nc2ncccn12,CI,0
O=Nc1c(-c2ccc(Cl)cc2)nc2ncccn12,CI,0
CCOC1(OCC)CS(=O)(=O)C1c1ccc([N+](=O)[O-])cc1,CI,0
CCOC1(OCC)CS(=O)(=O)C1c1ccccc1,CI,0
COc1ccc2oc(=S)[nH]c2c1,CI,0
S=c1[nH]c2ccccc2o1,CI,0
COc1cccc2c(=O)c3c(n(C)c12)OC(C(C)C)C3,CI,0
CC1Cc2c([nH]c3ccccc3c2=O)O1,CI,0
Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12,CI,0
c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1,CI,0
C1=Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CI,0
CC1=Nc2ccccc2C1=Cc1c(C)[nH]c2ccccc12,CI,0
FC(F)(F)C(=NNc1ccccc1)SSC(=NNc1ccccc1)C(F)(F)F,CI,0
FC(F)(F)C(F)(F)C(=NNc1ccccc1)SSC(=NNc1ccccc1)C(F)(F)C(F)(F)F,CI,0
Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4N)cc3)cc2)c(N)c1,CI,0
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1,CI,0
O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13,CI,0
O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12,CI,0
O=C1OCC(Cl)O1,CI,0
C=CC1OC(=O)OC1CO,CI,0
O=C1c2cccc3cccc(c23)C(=O)N1c1nccs1,CI,0
Cc1csc(N2C(=O)c3cccc4cccc(c34)C2=O)n1,CI,0
ON=C(C1CC1)C1CC1,CI,0
NC(=S)NN=C(C1CC1)C1CC1,CI,0
Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1,CI,0
O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CI,0
CC(=O)Nc1ncc(Sc2ccc([N+](=O)[O-])cc2)s1,CI,0
CC(=O)Nc1ncc(Sc2ccccc2C(=O)O)s1,CI,0
N=C(N)CCNC(=O)C1CCC(=N)N1.O=S(=O)(O)O,CI,0
CN1CCCC1=NC#N,CI,0
C=CCc1cc(CN2CCN(C)CC2)c(O)c(OC)c1,CI,0
CN1CCN(Cc2ccccc2)CC1CC#N,CI,0
Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N,CI,0
CN(C)c1ccc(-c2c3ccccc3nc3ccccc23)cc1,CI,0
N=C(N)NN=C(c1ccc(F)cc1)C1CC1,CI,0
CCc1ccc(C(=NNC(N)=S)C2CC2)cc1,CI,0
CCCCCN(CCCCC)CC(=O)OCC1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12,CI,0
CC(C)C1=CC2=CCC3C(C)(CN)CCCC3(C)C2CC1CCN,CI,0
CC(O)CN1C(=O)C2C3C=CC(C3)C2C1=O,CI,0
CC(CO)(CO)N1C(=O)C2C3C=CC(C3)C2C1=O,CI,0
CCOc1ccc(NC2OC(CO)C(O)C(O)C2NC(C)=O)cc1,CI,0
N#Cc1ccccc1NC1OCC(O)C(O)C1O,CI,0
Clc1ccc(CNCCCNCc2ccc(Cl)c(Cl)c2)cc1Cl,CI,0
Clc1ccc(CNCCCNCc2ccc(Cl)cc2Cl)c(Cl)c1,CI,0
O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1,CI,0
Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,CI,0
[N-]=[N+]=C1C(=O)NC(=O)N2C3CC(O)C(COC12)O3,CI,0
[N-]=[N+]=C1C(=O)NC(=O)N2C1OCC1OC2C(O)C1O,CI,0
Nc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2,CI,0
c1ccc(P(=C2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1,CI,0
Fc1ccc(C=NN=C(NN=Cc2ccc(F)cc2)NN=Cc2ccc(F)cc2)cc1,CI,0
Clc1ccc(C=NN=C(NN=Cc2ccc(Cl)cc2Cl)NN=Cc2ccc(Cl)cc2Cl)c(Cl)c1,CI,0
O=C1c2ccccc2-c2nc3ccccc3nc21,CI,0
COc1cc2nc3c(nc2cc1OC)-c1ccccc1C3=O,CI,0
O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)c([N+](=O)[O-])c1,CI,0
Cc1cc(C(=O)Nc2ccc(NC3=NCCN3)cc2)c(C)cc1C(=O)Nc1ccc(NC2=NCCN2)cc1,CI,0
COc1ccc2c(c1)C(=O)C1NC(=O)NC(=O)C1(Br)N2,CI,0
O=C1NC(=O)C2(Br)Nc3ccc(Br)cc3C(=O)C2N1,CI,0
O=c1c(SCc2ccc(Cl)cc2)c(N2CCCCC2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2)c(N2CCCCC2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccc(Cl)cc2)c(N2CCOCC2)cnn1-c1ccccc1,CI,0
O=c1c(SCc2ccccc2)c(N2CCOCC2)cnn1-c1ccccc1,CI,0
Oc1cccc(C=Cc2cnnc3ccccc23)c1,CI,0
COc1ccc(OC)c(C=Cc2cnnc3ccccc23)c1,CI,0
O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1,CM,1
CCCCCCC.CN1C(=O)CN=C(c2ccc[nH]2)c2cc(Cl)ccc21,CM,1
O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1,CI,0
O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1,CI,0
Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1,CI,0
CC(=O)Nc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1,CI,0
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO,CI,0
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3c2ncn3C)C(O)C1O,CI,0
Oc1ncc2[nH]c(=S)[nH]c2n1,CI,0
Oc1nc(S)nc2[nH]c(=S)[nH]c12,CI,0
CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc3ccccc3c2)cc1,CI,0
N#CC(=Cc1ccc2ccccc2c1)c1ccccc1,CI,0
OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1,CI,0
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,CI,0
O=C1OC(c2ccccc2)(c2ccccc2)c2ccc3ccc(F)cc3c21,CI,0
O=C1OC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c21,CI,0
O=C1OC(=O)C2=C1CCc1ccccc12,CI,0
COc1ccc2c(c1)C1=C(CC2)C(=O)OC1=O,CI,0
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,CI,0
CCC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1,CI,0
CN1C(=O)NC(C=O)(CCc2ccccc2)C1=O,CI,0
COc1ccc(CCC2(C(OC)OC)NC(=O)NC2=O)cc1,CI,0
OCC(O)C1OC(c2ccco2)OC(CO)C1O,CI,0
CC1CC(C)(C)OC(c2ccco2)O1,CI,0
CC1=CC(C)S(=O)(=O)C1,CI,0
COC(=O)C1=CCS(=O)(=O)C1,CI,0
O=C1C2C3C=CC(O3)C2C(=O)N1N=CC(O)C(O)C(O)C(O)CO,CI,0
C#CCOCC12C=CC(O1)C1C(=O)N(C)C(=O)C12,CI,0
CNC(c1ccncc1)C(NC)c1ccncc1,CI,0
C=Cc1cncc(C#N)c1CCc1c(C#N)cncc1C=C,CI,0
Cc1cccc(C(=O)c2cccc3ccccc23)c1C(=O)O,CI,0
Cc1cccc(C(=O)O)c1C(=O)c1cccc2ccccc12,CI,0
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,CI,0
C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)Nc3ccccc32)cc1,CI,0
Nc1on[n+](-c2ccccc2)c1-c1ccccc1,CI,0
Oc1on[n+](-c2ccccc2)c1-c1ccccc1,CI,0
C=CC[PH](CC=C)(c1ccccc1)c1ccccc1,CI,0
C=CCP(c1ccccc1)c1ccccc1,CI,0
Cn1ncc(=O)[nH]c1=S,CI,0
CNC(=S)N(C)C(=S)Nn1c(=O)c(C)nn(C)c1=S,CI,0
CNP1(NC)=NP(NC)(NC)=NP(NC)(NC)=NP(NC)(NC)=N1,CI,0
CCCCCNP1(NCCCCC)=NP(NCCCCC)(NCCCCC)=NP(NCCCCC)(NCCCCC)=NP(NCCCCC)(NCCCCC)=N1,CI,0
CCC(C)c1c(N)o[nH]c1=O,CI,0
CCC(C)c1c(NC(C)=O)o[nH]c1=O,CI,0
O=C1OCSc2ccccc21,CI,0
CCCC1OC(=O)c2ccccc2S1,CI,0
CCCCNC(=O)C1C2C=CC(O2)C1C(=O)O,CI,0
OCC1C2C=CC(O2)C1CO,CI,0
CCOC(=O)C1C2CCC(O2)C1C(=O)O,CI,0
O=C(O)C1C2CCC(O2)C1C(=O)O,CI,0
Oc1ccc(S)cc1CNC1CCCCC1,CI,0
COC=CCCCN(C1CCCCC1)C(C#N)c1ccccc1,CI,0
N=c1[nH]nnn1CCCl,CI,0
C=C=Cn1nn[nH]c1=N,CI,0
Cc1cccc(N(C=O)c2c(O)nc(N)nc2O)c1,CI,0
CSc1nc(SC)c(Nc2cccc(C)c2)c(SC)n1,CI,0
Nc1nnnc2[nH]cnc12,CI,0
CCOc1nnnc2[nH]cnc12,CI,0
O=[N+]([O-])c1ccc(P2(=O)Nc3ccccc3N2)cc1,CI,0
O=P1(c2ccccc2)Nc2cc(Cl)c(Cl)cc2N1,CI,0
CCC1c2ccc3cc(OC)ccc3c2CCC1(C)C(=O)O,CI,0
CC(CO[Si](C)(C)C(C)(C)C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c3c(ccc2c1O)C(C)(C)CCC3,CI,0
C=C1C2CCC3(CCC4C5(C)CCCC4(C=[N+](CCOC(C)=O)C5)C3C2)C1OC(C)=O,CI,0
C=C1C2CCC3(CCC4C5(C)CCCC4(C=[N+](CCO)C5)C3C2)C1O,CI,0
O=S1CCCCS1,CI,0
CC(=O)OC1CSS(=O)CC1OC(C)=O,CI,0
c1ccc2sc(N3CCCCC3)nc2c1,CI,0
CCOC(=O)Nc1ccc2nc(N3CCCCC3)sc2c1,CI,0
CN(C)C=C1C=CC=C1,CM,1
CN(C)C(=C1C(Br)=C(Br)C(Br)=C1Br)N(C)C,CI,0
O=C(C[n+]1ccccc1)c1ccc(O)c(O)c1,CI,0
O=C(O)c1ccc[n+](CC(=O)c2ccc(O)c(O)c2)c1,CI,0
CC1CCCN(CC(O)CN2CCN(CC(O)CN3CCCC(C)C3)C(C)C2)C1,CI,0
CC1CCCN(CC(O)CN2CCN(CC(O)CN3CCCC(C)C3)CC2)C1,CI,0
CN(C)CCN1C(=O)C2C3CCC(C)(O3)C2C1=O,CI,0
CN(C)CCN1C(=O)C2(C)C3CCC(O3)C2(C)C1=O,CI,0
CCCCCCCCCC1OC(CCCCCCCCC)OC(CCCCCCCCC)O1,CI,0
ClCCC1OC(CCCl)OC(CCCl)O1,CI,0
C1COCCO1.CC(C)NC(=N)NC#N,CI,0
ClC1OC(Cl)(Cl)C(Cl)(Cl)OC1(Cl)Cl,CI,0
CCC(C)=C1CC(C)(C)N=C1C,CI,0
C=C(C)C1=NC(C)(C)CC1=C(C)C,CI,0
O=Nc1c(-c2ccccc2)nnc(-c2ccccc2)c1N=O,CI,0
CN(C)CCSc1ccc(-c2ccc(-c3ccc(SCCN(C)C)cc3)nn2)cc1,CM,1
Cn1cnc2c1=S(=O)(O)N=C(S)N=2,CI,0
CCC1=NS(=O)(O)=c2c(ncn2C)=N1,CI,0
Oc1nnc(O)c2nc(Nc3ccccc3)ncc12,CI,0
Oc1nnc(O)c2nc(Nc3ccc(Cl)cc3)ncc12,CI,0
CC1=CSC2=NCCN12,CI,0
CCOC(=O)CC1=CSC2=NCCN12,CI,0
COc1ccc2c(c1)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2,CI,0
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(NC(C)=O)CC2,CI,0
N#CC(=C(c1ccccc1)c1ccccn1)c1ccc(Cl)cc1,CI,0
N#CC(=C(c1ccccc1)c1ccccn1)c1ccccc1,CI,0
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1=O,CI,0
CC12CCC3C(CCC4=CC(=O)C=CC43O)C1CCC2=O,CI,0
NC(=O)C(c1ccccc1)N1CCOCC1,CI,0
COc1ccc(C(C(N)=O)N2CCOCC2)cc1,CI,0
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,CI,0
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,CI,0
CC1=CC(C)(C)NC(=S)N1c1ccccc1O,CI,0
CC1=CC(C)(C)NC(=S)N1c1ccc(N(C)C)cc1,CI,0
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,CI,0
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12C,CI,0
Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1,CM,1
Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(O)=[OH+])c4cccc(S(=O)(O)=[OH+])c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(O)=[OH+])c2c1.[GaH3],CI,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1,CI,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1,CI,0
O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1,CI,0
CN1C(=O)C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc21,CI,0
O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1,CM,1
CC(=O)Nc1cc2c(O)c(N=Nc3ccc(C(=O)Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)cc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O,CA,1
O=C(Nc1ccc2cc(S(=O)(=O)O)ccc2c1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1,CI,0
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(C(=O)Nc4ccc5cc(S(=O)(=O)O)ccc5c4)cc3)c(O)c12,CI,0
COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O,CI,0
COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C,CI,0
CCOC(=O)N1C2c3ccccc3C(c3ccccc32)N1C(=O)OCC,CI,0
COC(=O)N1C2c3ccccc3C(c3ccccc32)N1C(=O)OC,CI,0
CC12CCC(O1)C1C(=O)OC(=O)C12,CI,0
CC12C(=O)OC(=O)C1(C)C1CCC2O1,CI,0
NN=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,CI,0
O=S(=O)(CC(=NO)c1ccccc1)c1ccccc1,CI,0
O=[N+]([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1,CI,0
COc1ccc(CSCc2cc(OC)c(OC)c(OC)c2)cc1,CI,0
Cc1ccc(-c2cssc2=S)cc1,CI,0
S=c1sscc1-c1ccccc1,CI,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCc3ccccc3)c2c1O,CI,0
COC(=O)C(Cc1ccccc1)N=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NC(Cc5ccccc5)C(=O)OC)c4c3O)c(O)c12,CI,0
Nc1ccc2[se]nc3c2c1C(=O)c1ccccc1-3,CI,0
O=C(O)c1ccc2c3c(n[se]c13)-c1ccccc1C2=O,CI,0
Nc1c(Br)cc2snc3c2c1C(=O)c1ccccc1-3,CI,0
Cc1ccc2c3c(nsc13)-c1ccccc1C2=O,CI,0
CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Co-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0
C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Co-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C,CI,0
Oc1cc(O)c2c(ccc3ccccc32)n1,CI,0
COc1cnc2cc(C(=O)O)c3c([N+](=O)[O-])cccc3c2c1,CI,0
O=C1C(CN2CCCCC2)CCCC1CN1CCCCC1,CI,0
Br.O=C1C(CN2CCCCC2)CCCC1CN1CCCCC1,CI,0
O=C1C(CN(Cc2ccccc2)Cc2ccccc2)CCCC1CN(Cc1ccccc1)Cc1ccccc1,CI,0
Cl.O=C1C(CN(Cc2ccccc2)Cc2ccccc2)CCCC1CN(Cc1ccccc1)Cc1ccccc1,CI,0
O=C1C(CN2CCOCC2)CCCC1CN1CCOCC1,CI,0
Cl.O=C1C(CN2CCOCC2)CCCC1CN1CCOCC1,CI,0
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,CI,0
CCN(CC)CCNC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)NCCN(CC)CC,CI,0
CCN(CC)CCNc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,CI,0
Cn1c(=O)c2nc(NN)[nH]c2n(C)c1=O,CI,0
C#CC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,CI,0
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CCCCC4(C)C3CCC21C,CI,0
O=S(=O)(O)c1ccc(NNc2ccc(S(=O)(=O)O)cc2)cc1,CI,0
COc1ccc(NN(O)c2ccc(OC)cc2)cc1,CI,0
OC1(c2ccccc2)Oc2ccccc2C(c2ccccc2)C1c1ccccc1,CI,0
Cc1ccc2c(c1)C(O)(c1ccccc1)C(c1ccccc1)C(c1ccccc1)O2,CI,0
OC1(c2ccccc2)CC(c2ccccc2)c2ccccc2O1,CI,0
Oc1cc(O)c(C2c3ccc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c(O)c1,CI,0
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O,CI,0
COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC,CI,0
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1,CM,1
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(O)=[OH+])cc(S(=O)(O)=[OH+])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(O)=[OH+])cc(S(=O)(O)=[OH+])c45)ccc3C)c2)c1.[GaH3],CI,0
[O-][n+]1c2ccccc2[n+]([O-])c2c3ccccc3[nH]c21,CI,0
Cc1ccc2[nH]c3c(c2c1)[n+]([O-])c1ccccc1[n+]3[O-],CI,0
CC(CCC(C)OS(=O)(=O)c1ccc(F)cc1)OS(=O)(=O)c1ccc(F)cc1,CI,0
O=S(=O)(OCCCCOS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,CI,0
c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1,CI,0
Cc1cccc(-c2nc3sc(-c4cccc(C)n4)nc3s2)n1,CI,0
O=C(O)c1nc2sc(C(=O)O)nc2s1,CI,0
CC(C)(CCC#N)c1nc2sc(C(C)(C)CCC#N)nc2s1,CI,0
O=[N+]([O-])c1ccc(C=Cc2ccc(N=Nc3ccc(C=Cc4ccc([N+](=O)[O-])cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CA,1
Nc1ccc(C=Cc2ccc(N=Nc3ccc(C=Cc4ccc(N)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1,CI,0
Cl.Nc1ccccc1OCCCOc1ccccc1N,CI,0
CC(N)C(=O)NC1C(C)OC(=O)C2=C(O)CC(O)C(O)C21,CI,0
CC(N)C(=O)NC1C2C(=C(O)CC(O)C2O)C(=O)OC1(C)C(Cl)Cl,CI,0
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3O2)cc1O,CI,0
CC(C)O.CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O,CI,0
O=S1(=O)Oc2cccc3cccc1c23,CI,0
O=[N+]([O-])c1ccc2c3c(cccc13)S(=O)(=O)O2,CI,0
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,CI,0
CC1(C)OC2=C(CC1Br)C(=O)C(=O)c1ccccc12,CI,0
NS(=O)(=O)c1cc2c(cc1Cl)=NC=NS=2(=O)O,CI,0
CC1=NS(=O)(O)=c2cc(Cl)ccc2=N1,CI,0
Oc1cc2c(nn1)CCCC2,CI,0
COc1cc2c(nn1)CCCC2,CI,0
O=C(O)C1C2c3ccccc3C(O)C1(C(=O)O)c1ccccc12,CI,0
CC(=O)OC1c2ccccc2C2c3ccccc3C1C2(C)C(Cl)(Cl)Cl,CI,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,CI,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1OC,CI,0
CCCCOP(=S)(OCCCC)SC1(SC)SSC=C1CC(C)(C)C,CI,0
ClC1=C(Cl)C(Cl)(Cl)SS1,CI,0
N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1,CI,0
CCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1,CI,0
CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC(=O)O2,CI,0
CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CC(O)C(=O)O2,CI,0
Cc1cc(O)c(C#N)c2c(C#N)c(=N)[nH]n12,CI,0
Cc1cc(C)n2[nH]c(=N)c(C#N)c2c1C#N,CI,0
COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1OC,CI,0
CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccccc4)coc23)O1,CI,0
CCOC(=O)c1cnc2ccc(C)cn2c1=O,CI,0
Cc1ccc2nc(CN(CCO)CCO)cc(=O)n2c1,CI,0
CN1CCC2(CC1)OC(c1ccccc1)C(c1ccccc1)O2,CI,0
CCN1CCC2(CC1)OC(c1ccccc1)C(c1ccccc1)O2,CI,0
NC1CCCCCCC1,CI,0
N#CSC1CCCCCCC1SC#N,CI,0
Oc1nc(O)c2nc(O)nc(O)c2n1,CI,0
CCN(C)c1nc(N(C)CC)c2nc(N(C)CC)nc(N(C)CC)c2n1,CI,0
C1CCC2(CC1)CCCN2,CI,0
OCCCN1CCCC12CCCCC2,CI,0
CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1,CI,0
CCCCC(O)(c1ccccc1)C(O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,CI,0
c1ccc(N2CCN(c3ccccn3)CC2)nc1,CI,0
Nc1cnc(N2CCN(c3ncc(N)cc3N)CC2)c(N)c1,CI,0
Cc1ccccc1-c1nc2c(N)nc(N)nc2nc1N,CI,0
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,CI,0
CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Ni-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0
COC(=O)CCC1=C(C)C2=[N+]3C1=Cc1c(CCC(=O)OC)c(C)c4n1[Ni-2]31n3c(c(C)c(C(C)=O)c3=CC3=[N+]1C(=C4)C(C(C)=O)=C3C)=C2,CI,0
CCC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Cu-3]31n3c(c(C)c(CC)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)OC)=C2C,CI,0
CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Cu-3]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0
CCOC(=O)C(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2,CI,0
COC(=O)C1C(=O)NC2(C)CC1c1ccccc1O2,CI,0
Cc1cc(Cl)cc2c1SC(=C1Sc3c(C)cc(Cl)cc3C1=O)C2=O,CI,0
O=C1C(=C2Sc3c(ccc(Cl)c3Cl)C2=O)Sc2c1ccc(Cl)c2Cl,CI,0
CCOC(C)C(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)c1ccccc1,CI,0
C[N+]1([O-])C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,CI,0
COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)cc3C1C2,CI,0
COc1cc2c(cc1OC)C(C)N1CCc3cc(OC)c(OC)cc3C1C2,CI,0
O=S1c2ccccc2Sc2ccccc21,CM,1
Cc1ccc2c(c1)S(=O)c1cc(C)ccc1S2,CI,0
O=C(O)c1c2c(nc3ccccc13)CCC2,CI,0
CN(C)CCCCNc1c2c(nc3c(Cl)cccc13)CCC2,CI,0
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1,CI,0
O=S(=O)(c1ccc(N=C=S)cc1)N1CCCCC1,CI,0
CC(C)N1CSC(=S)NCCNC(=S)SC1,CI,0
OCCN1CSC(=S)NCCNC(=S)SC1,CI,0
CC1CNC(=S)SSC(=S)N1,CI,0
S=C1NCCNC(=S)SS1,CI,0
CC(C)(C)CC1=CC(=C2C=C(CC(C)(C)C)C(=O)C(CC(C)(C)C)=C2)C=C(CC(C)(C)C)C1=O,CI,0
O=C1C(Cl)=CC(=C2C=C(Cl)C(=O)C(Cl)=C2)C=C1Cl,CI,0
Cc1nc2ccccc2c2c(N)cccc12,CI,0
Oc1nc2cc(Cl)ccc2c2ccc(Cl)cc12,CI,0
O=C1CCCCCN1C(=O)c1ccccc1,CI,0
O=C(c1ccccc1)N1CCCCC(Cl)C1=O,CI,0
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1,CI,0
O=[N+]([O-])c1cccc2c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3nc12,CI,0
Oc1nnc(O)c2c1[nH]c(=S)n2Cc1ccccc1,CI,0
S=c1[nH]c2c(S)nnc(S)c2n1Cc1ccccc1,CM,1
C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4C(=O)O)C(CCC(=O)O)C3C,CI,0
C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4C(=O)OC)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C3C,CI,0
COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,CI,0
COc1ccc2ccc3c(CCN(C)C#N)cc4c(c3c2c1OC(C)=O)OCO4,CI,0
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O,CI,0
O=C([O-])C(F)(F)F.Oc1cc(O)c2ccc(-c3ccc(O)c(O)c3)[o+]c2c1,CI,0
CNc1ccc2cc3ccc(NC)cc3[o+]c2c1,CI,0
CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1,CI,0
N#CCCN1C(=O)CCC2(CCC(=O)N(CCC#N)C2=O)C1=O,CI,0
O=C1CCC2(CCC(=O)NC2=O)C(=O)N1,CI,0
CCCCCCCCCCCCCCCCCC(=O)O.CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc(-c2c3ccccc3[o+]c3ccccc23)cc1,CI,0
CN1BN(C)BN(C)B1,CI,0
ClB1NB(Cl)NB(Cl)N1,CI,0
COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C,CA,1
COC1C(O)CCC2(CO2)C1C1(C)OC1CC=C(C)C,CI,0
C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCC12CCCCC2,CI,0
CN(C)C(=O)C(CC[N+]1(C)CCCC12CCCCC2)(c1ccccc1)c1ccccc1,CI,0
Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,CI,0
Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,CI,0
CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)CC)CCC3(C)C5C(OC(C)=O)C(OC(C)=O)C4C21O,CI,0
CC1CCC2N(C1)CC1C3(O)CC45OC6(O)C(O)CCC4(C)C6CCC5C3(O)CC(O)C1(O)C2(C)O,CI,0
CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1O,CI,0
CC12CCC3C(CCC4=CC(OC5OC(CO)C(O)C(O)C5O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1,CI,0
O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1,CI,0
O=S(=O)(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12,CI,0
O=C(O)C1C2OC3C(OC(=O)C31)C2Br,CI,0
O=C1OC2C(O)C3CC1C2O3,CI,0
COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C,CI,0
COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3,CI,0
C1CN2CCOB(O1)OCC2,CI,0
CC1CN2CC(C)OB(O1)OC(C)C2,CI,0
N=c1[nH]ncs1,CI,0
Cn1nc(S(N)(=O)=O)sc1=NC(N)=S,CI,0
COc1ccc(C2c3cc(OC)c(OC)cc3CC3C(=O)OCC32)cc1OC,CI,0
COc1cc(C2c3cc(O)c(OC)cc3CC3C(=O)OCC32)ccc1O,CI,0
O=C1N(Cl)C2(c3ccccc3)N(Cl)C(=O)N(Cl)C2(c2ccccc2)N1Cl,CI,0
O=C1NC2(c3ccccc3)NC(=O)NC2(c2ccccc2)N1,CI,0
O=S(=O)(O)c1ccc2c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1,CI,0
O=S(=O)(O)c1ccc2c(N=Nc3cccc4ccccc34)c(O)c(S(=O)(=O)O)cc2c1,CI,0
CN(C)c1ccc(C=Cc2cc[n+](C)c3ccccc23)cc1,CI,0
COc1cc(OC)c(OC)cc1C=Cc1cc[n+](C)c2ccccc12,CI,0
CC1=NNC(=O)C1,CI,0
CCCCC1=NNC(=O)C1,CI,0
CC1NC(C)SC(C)S1,CI,0
CN1CSCSC1,CI,0
O=c1ssc(=Nc2ccccc2)n1-c1ccccc1,CI,0
O=c1ssc(=Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1,CI,0
CC(CN1CCCCC1)SSC(C)CN1CCCCC1,CI,0
CC1CCCN(CCSSCCN2CCCC(C)C2)C1,CI,0
CC1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(Cl)c1,CI,0
CC1(C)NC(=N)NC(=N)N1c1cccc(N)c1,CI,0
N=C1NC(=O)CS1,CI,0
N=C1NC(=O)C(CC(=O)O)S1,CI,0
O=S1(=O)CCc2ccccc2C(Br)C1,CI,0
O=S1(=O)CCc2ccccc2C(Cl)C1,CI,0
ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1,CI,0
C=CCOP1(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=N1,CI,0
C1SCSCS1,CI,0
CC1SC(C)SC(C(C)(C)O)S1,CI,0
N=c1[nH][nH]c(=N)[nH]1,CI,0
N=c1[nH][nH]c(=N)[nH]1.O=C(O)C(=O)O,CI,0
OCC1OCOC2COCOC12,CI,0
OCC(O)C1OCOC2COCOC21,CI,0
C1CN[Co-4]23(N1)(NCCN2)NCCN3,CI,0
C1CN[Co-4]23(N1)(NCCN2)NCCN3.O=C([O-])C(O)C(O)C(=O)[O-].[Cl-],CI,0
Cc1ccccc1NC(=N)Nc1ccccc1C,CI,0
O=P(O)(O)C(N=C(Nc1ccccc1)Nc1ccccc1)P(=O)(O)O,CI,0
c1ccc2c(c1)Sc1ccccc1S2,CI,0
Clc1ccc2c(c1)Sc1ccc(Cl)cc1S2,CI,0
CCCCCC=C(c1cc(Cl)c(OC)c(-c2nc(C)no2)c1)c1cc(Cl)c(OC)c(-c2nc(C)no2)c1,CI,0
Cc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccc4c(c2)OCO4)C(=O)C31,CI,0
Cc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)C31,CI,0
CC(=CC(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O,CI,0
COc1c(Cl)cc(C(=CCCCCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0
CN1CC(=Cc2cccs2)C2=NN(C)C(c3cccs3)C2C1,CI,0
CN1CC(=Cc2cccs2)c2nc(O)c(C#N)c(-c3cccs3)c2C1,CI,0
COc1ccc(C=C2CN(C)Cc3c2nc(O)c(C#N)c3-c2ccc(OC)cc2)cc1,CI,0
CN1CC(=Cc2cccs2)C2=C(C1)C(c1cccs1)C(C#N)=C(N)O2,CI,0
CN1CC(=Cc2cccs2)C2=NC(=S)NC(c3cccs3)C2C1,CI,0
CN1CC(=Cc2cccs2)C2=NN(c3ccccc3)C(c3cccs3)C2C1,CI,0
CN1CC(=Cc2cccs2)C(O)C(=Cc2cccs2)C1,CI,0
CN1CC(=Cc2cccs2)C(=O)C(=Cc2cccs2)C1,CI,0
Cc1ccc(C=C2CN(C)CC3C(c4ccc(C)cc4)=C(C#N)C(=O)NC23)cc1,CI,0
Cc1cn(C(Cc2ccccc2)OCC[Se]c2ccccc2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC3C(COC(CCCC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC3C(COC(CCC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(COCCCOCC(=O)c2ccccc2)c(=O)[nH]c1=O,CM,1
Cc1cn(C(Cc2ccccc2)OCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O,CI,0
Cc1cn(COCCCS(=O)c2ccccc2)c(=O)[nH]c1=O,CI,0
Cc1ccc(S(=O)(=O)OCCOC(Cc2ccccc2)n2cc(C)c(=O)[nH]c2=O)cc1,CI,0
Cc1c(C(=O)c2ccccc2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O,CI,0
O=c1c(C=NOCCCCON=Cc2cc3c(cc2[N+](=O)[O-])OCO3)coc2c(Cl)cc(Cl)cc12,CI,0
C=C(C)C1CCC2(CNC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(NC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12,CI,0
C=C(COC(=O)CC1(CC(=O)O)CCCC1)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12,CI,0
CC1(C)Oc2ccc3ccc(=S)oc3c2C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CM,1
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)C2c1ccc(Br)cc1,CI,0
CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1,CI,0
COc1cc(C=C2CCCC(=Cc3ccc(OC(=O)CCCCC4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCCC1CCSS1,CI,0
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC(=O)CCCCC3CCSS3)c(OC)c2)ccc1OC(=O)CCCCC1CCSS1,CI,0
OC(c1cnc2sccn12)C(F)(F)Sc1ccccc1,CI,0
O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc21,CM,1
O=C(NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S)c1ccccc1S,CM,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)CC3OP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)CS3)O2)c(=O)n1,CM,1
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1CCC(n2cnc3c(O)ncnc32)O1)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CA,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CSC(COP(=O)(O)OC3CC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)OC3CO)O2)c(=O)n1,CA,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c(C(=O)OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c5)c5cc(Cl)c(OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c(C(=O)OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c5)CCC4(C)C3CCC12C,CI,0
CCOC(=O)C12C(=O)C(C)CCC1C(C)CC2C=C(C)C,CI,0
CC1CCC2C(C)CC3C4C(C)(C)OC(=O)C4(C)C(=O)C23C1=O,CI,0
CC(C)=CC1CC(C)C2CCC(C)C3C(=O)C(O)=C(C)C(=O)C123,CI,0
CC(C)=CC1CC(C)c2c(O)cc(C)c3c2C1=C(C)C(=O)C3=O,CI,0
CC1=NN(c2nc(N)nc(CC(=N)NO)n2)C(C)(C)C1,CI,0
CC1=NN(c2nc(N)nc(-c3sccc3N)n2)C(C)(C)C1,CI,0
Cc1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)N=C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC2=NCCN2Cc2ccccc2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2N)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc3ccsc3c(=O)n2N)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nc3cscc3c(=O)n2N)c(S)cc1Cl,CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c(C(=O)OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c5)c5cc(Cl)c(OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c(C(=O)OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c5)CCC4(C)C3CCC12C,CI,0
O=C(c1ccccc1)N1CCN(C(=S)N(C(=O)c2ccccc2)c2ccccc2)C1=S,CI,0
O=C(c1ccccc1)N1CCN(C(=S)NC2CCCCC2)C1=S,CI,0
O=C(Nc1ccccc1)N1CCN(C(=O)Nc2ccccc2)C1=S,CI,0
O=C(NC1CCCCC1)N1CCNC1=S,CI,0
O=C(Nc1ccccc1)N1CCNC1=S,CM,1
S=C1NCCN1C(=S)NC1CCCCC1,CM,1
S=C1NCCN1C(=S)Nc1ccccc1,CI,0
CCCCCCCCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])O2)c(=O)n1,CA,1
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CA,1
Cc1cn(C2CC(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C(CO)O2)c(=O)[nH]c1=O,CA,1
S=C(NCc1ccccc1-c1ccccc1)Nc1ccc(Br)cn1,CI,0
S=C(Nc1cccc(-c2ccccc2)c1)Nc1ccc(Br)cn1,CI,0
S=C(Nc1ccc(Br)cn1)Nc1ccccc1-c1ccccc1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c(C(=O)OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c5)c5cc(Cl)c(OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c(C(=O)OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c5)CCC4(C)C3CCC12C,CI,0
COc1c(Cl)cc(Cc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cc4cc(Cl)c(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O.[NaH],CM,1
CCCCC1C(OCOc2ccccc2)COC(=O)N1C(C)c1ccccc1,CI,0
CC(C)c1ccccc1SCc1cc(=O)cc(CSc2ccccc2C(C)C)o1,CI,0
Cc1cn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2I)c(=O)[nH]c1=O,CI,0
N=c1ccn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2I)c(=O)[nH]1,CI,0
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)OC1(Oc2c(O)c4c(c(O)c2C1OC1CC(OC)C(O)C(C)O1)C(=O)C=C(OC)C4=O)C(O)C3,CI,0
O=C(C=Cc1ccco1)c1cccc(C(=O)C=Cc2ccco2)n1,CI,0
O=C(C=Cc1cccs1)c1cccc(C(=O)C=Cc2cccs2)n1,CI,0
COc1ccc(C=CC(=O)c2cccc(C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1OC,CI,0
O=c1c2ccccc2nc2sc(N=CC=Cc3ccccc3)nn12,CI,0
Nn1c(Sc2nc3ccccc3c(=O)n2N)nc2ccccc2c1=O,CI,0
CC(CC=O)Nc1nn2c(=O)c3ccccc3nc2s1,CI,0
N=c1[nH]n2c(=O)c3ccccc3nc2s1,CI,0
N=C(Nn1c(=S)[nH]c2ccccc2c1=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=CC(=O)c1ccccc1,CI,0
O=C1CC2C(O1)C(O)CN1C(=O)c3ccccc3C21,CI,0
O=C(O)CC1C(O)C(O)CN2C(=O)c3ccccc3C12,CI,0
NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SC(=O)CCCC[n+]2ccccc2)cc1.[Br-],CA,1
O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1.[Br-],CA,1
CC(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)c2)c1.[Br-],CM,1
CCN1C(=O)c2cc(OC)c(OC)cc2C(=O)C12OC(=O)c1cc3c(cc12)OCO3,CI,0
COC(=O)c1cc(Cc2cc(C(c3cc(Cc4cc(Cl)c(O)c(C(=O)OC)c4)c(O)c(C(=O)OC)c3)C(Cl)(Cl)Cl)cc(C(=O)OC)c2O)cc(Cl)c1O,CI,0
O=C(O)c1ccc2c(n1)-c1nc3nc4c(cc3cc1CC2)CCc1ccc(C(=O)O)nc1-4.[KH],CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccc(C)o2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccn2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C2CCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccsc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2cccs2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CC=CCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccncc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl,CI,0
CCCc1cc(O)nc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O,CA,1
O=C1c2cccn2-c2ccccc2OC1c1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1,CI,0
Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(-c2ccccc2Cl)c1C(=O)Nc1ccccc1,CI,0
N#CC1C(=O)Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C12CCCCC2,CI,0
N#CC1=C2SCCN2C(=O)C(C#N)C12CCCCC2,CI,0
CC(C)Sc1nc(C#N)cc2c1CCCC2,CI,0
Cc1ccc(S(=O)(=O)C(Cl)C2N=C(Cl)NN=C2c2ccccc2)cc1,CI,0
COC(=O)c1c(-c2ccccc2)c2sc3ccccc3n2c1N,CI,0
Cc1cn(COCCCSc2ccccc2)c(=O)[nH]c1=O,CM,1
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NCc4cccc5ccccc45)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NCc4ccccc4)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)[Si](C)(C)OC1C(n2ccc(=O)[nH]c2=O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1(CC#N)Sc1ccccc1,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(=S)Oc2ccccc2)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(C)(C)OC(=O)N(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)OC(=O)C(C)(C)C,CI,0
Br.Cc1ccc(-c2csc(=Nc3ccccc3)n2NC(=O)c2ccncc2)cc1,CI,0
Br.COc1ccc(-c2csc(=Nc3ccccc3)n2CC(O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CCOC(=O)c1c2ccccc2n2c(=O)n(C)nnc12,CI,0
Cc1c(C#N)c2nnn(-c3ccccc3)c(=O)n2c1-c1ccccc1,CI,0
CC1C(=O)OC1C1COC(C)(C)O1,CI,0
Cc1cn(C2C=CC(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O,CA,1
CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C(=O)CC1,CI,0
CCOC(=O)N1C(=S)C(C(=O)OC)(C(=O)OC)N=C1C,CI,0
COC(=O)C1(C(=O)OC)N=C(C)OC1c1ccccn1,CI,0
COC(=O)C1(C(=O)OC)N=C(C)OC1C=Cc1ccccc1,CI,0
COC(=O)C1(C(=O)OC)N=C(C)OC1c1ccoc1,CI,0
CCN(CC)CC1CNC(=N)O1,CI,0
CC1(C)OCC2OC3(C(O)CCO)OC(C)(C)OC3C2O1,CI,0
CC1(C)OCC2OC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1,CI,0
CCOC(=O)c1cn(CC)c(=O)n2c1nc1ccccc12,CI,0
CCOC(=O)c1cn(C)c(=S)n2c1nc1ccccc12,CI,0
COP1(=O)NCc2ncccc2O1,CI,0
Cc1cc(OP2(=O)NCc3ccncc3O2)ccc1Cl,CI,0
O=P1(Oc2ccccc2)Cc2cnccc2CN1,CI,0
Cc1cn(C(Cc2ccccc2)OCCO)c(=O)[nH]c1=O,CI,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O,CI,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O,CI,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O,CM,1
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O,CI,0
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O,CM,1
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O,CM,1
CN1CCN(C2Sc3ccccc3C(=O)N3CCCC23)CC1,CI,0
O=C(O)c1nc2ccccc2n2cccc12,CI,0
O=C1Sc2ccccc2C(=O)N2C1CSC2c1ccccc1,CI,0
O=C1Sc2ccccc2C(=O)N2CS(=O)CC12,CI,0
FC(F)(Sc1ncccn1)c1nc(-c2ccccc2)no1,CI,0
FC(F)(Oc1ccc2oc3ccccc3c2c1)c1nc2ccccc2o1,CI,0
CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(Sc2ccccc2)=CC1=O,CI,0
CNC1=CC(=O)C2=C(C1=O)C1CCC3(C)C(=O)CCC3C1CC2,CI,0
CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2ccc(N(C)C)cc2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O,CI,0
CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2ccco2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O,CI,0
CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2cccs2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O,CI,0
CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)C(C)C)c1O,CI,0
CCOC(=O)c1c(N2CCCC2)nc(O)c(C(c2ccco2)c2c(O)nc(N3CCCC3)c(C(=O)OCC)c2O)c1O,CI,0
CCOC(=O)c1c(N2CCCC2)nc(O)c(C(c2cccs2)c2c(O)nc(N3CCCC3)c(C(=O)OCC)c2O)c1O,CI,0
CCOC(=O)c1c(O)cc(O)nc1N1CCOCC1,CI,0
COC(=O)C12CSCC1CC(c1cccc3ccccc13)N2,CI,0
Cc1nn(C)c2nc3ccc(Cl)cc3c(-c3ccccc3)c12,CI,0
COC(=N)C12C(=N)NC(OC)(OC)C1(C#N)C21C(=O)N(c2ccccc2)N=C1C,CI,0
N#CC1(C#N)C(c2ccccc2)NC23CCCCC2C1(C#N)C(=O)N3,CI,0
N#CC1(C#N)C2=C(CCCC2)NC(c2ccc(Br)cc2)C1(C#N)C#N,CI,0
O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc(Oc2ccccc2)cc1,CM,1
S=c1[nH]n2c(CCCCCCCCc3nnc4sc(=S)[nH]n34)nnc2s1,CM,1
c1ccc(C2=C(c3ccccc3)Sc3nnc(CCCCCCCCc4nnc5n4NC(c4ccccc4)=C(c4ccccc4)S5)n3N2)cc1,CI,0
CC1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1CCCN1C(=O)c2ccccc2C1=O,CI,0
O=C1c2ccccc2C2(c3ccc(Cl)cc3)NC3CCCCC3N12,CI,0
O=C1c2cc3ccccc3cc2C2(c3ccc(Cl)cc3)NCCN12,CI,0
O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCc3ccccc3CN12,CI,0
CC1(C)COC(c2ccccc2-c2ccccc2)=N1,CI,0
Oc1c(C2=NC3CCCCC3N2)ccc2ccccc12,CI,0
CC1(C)CN=C(c2ccc3ccccc3c2O)N1,CI,0
COc1cc(C2(O)c3ccccc3C3=NCCN32)cc(OC)c1OC,CI,0
OC1(c2ccc(-c3ccccc3)cc2)c2ccccc2C2=NCCN21,CI,0
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21,CI,0
OC1(c2ccc(Cl)cc2)c2ccccc2C2=Nc3ccccc3CN21,CI,0
O=C1N2CCN=C2c2ccccc2C1(O)c1ccccc1,CI,0
OC1=C(c2ccccc2)C2=NCCN2c2ccccc21,CI,0
Cc1nnc(Sc2nc(C#N)c(C#N)nc2Sc2nnc(C)s2)s1,CI,0
COC(=O)CNC1=NC(=S)N(Cc2ccc(OC)cc2)C12CCCC2,CI,0
Cc1cc(O)nc2c3c(ccc12)OC(C)(C)C=C3,CI,0
COc1cccc(-c2[nH]c3cc4c(cc3c(=O)c2C(=O)O)OCO4)c1,CI,0
O=C1c2cc3c(cc2NC(c2ccccc2F)C1O)OCO3,CI,0
Cc1ccccc1C1OC1C(=O)c1ccccc1N,CI,0
O=C(C=CC(=O)c1cccs1)c1cccs1,CI,0
O=C1OC(OC2OC(=O)c3ccccc32)c2ccccc21,CI,0
Cn1c(-c2cccs2)cc(-c2ccccc2)c1-c1cccs1,CI,0
O=C(C(=Cc1cccs1)c1ccccc1)c1ccccc1,CI,0
Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1ccsc1,CI,0
c1ccc(-c2cc(-c3cccs3)c(-c3cccs3)o2)cc1,CI,0
Cn1c(-c2ccccc2)cc(-c2ccsc2)c1-c1ccsc1,CI,0
Cn1c(-c2ccccc2)cc(-c2cccs2)c1-c1ccsc1,CI,0
Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1cccs1,CI,0
c1cc2c3ccsc3c3sccc3c2s1,CI,0
c1csc(-c2cc(-c3ccsc3)cs2)c1,CI,0
c1cc(-c2cscc2-c2ccsc2)cs1,CI,0
c1csc(-c2ccsc2-c2ccsc2)c1,CI,0
c1cc(-c2ccsc2-c2ccsc2)cs1,CI,0
c1cc(-c2csc(-c3ccsc3)c2)cs1,CI,0
c1csc(-c2csc(-c3ccsc3)c2)c1,CI,0
c1csc(-c2cscc2-c2ccsc2)c1,CI,0
c1csc(-c2ccc(-c3ccsc3)s2)c1,CI,0
c1csc(-c2cscc2-c2cccs2)c1,CI,0
c1csc(-c2csc(-c3cccs3)c2)c1,CI,0
c1cc(-c2ccc(-c3ccsc3)s2)cs1,CI,0
c1csc(-c2ccsc2-c2cccs2)c1,CI,0
COc1ccc(-n2c(-c3ccccc3)cc(-c3cccs3)c2-c2cccs2)cc1,CI,0
O=C(CC(C(=O)c1ccoc1)c1ccco1)c1ccco1,CI,0
O=C(CC(C(=O)c1ccco1)c1ccsc1)c1ccco1,CI,0
O=C(CC(C(=O)c1ccco1)c1ccco1)c1ccco1,CI,0
O=C(CC(C(=O)c1ccsc1)c1cccs1)c1ccccc1,CI,0
O=C(CC(C(=O)c1ccsc1)c1ccccc1)c1ccccc1,CI,0
O=C(CC(C(=O)c1ccsc1)c1ccc2c(c1)OCO2)c1ccccc1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccco1,CI,0
O=C(CC=Cc1ccccc1)c1ccccc1,CI,0
O=C(CC(C(=O)c1ccsc1)c1ccccc1)c1cccs1,CI,0
O=C(C=Cc1ccccc1-c1ccccc1)c1ccccc1,CI,0
O=C(C=Cc1ccsc1)c1ccco1,CI,0
Cn1c(-c2cccs2)cc(-c2cccs2)c1-c1ccco1,CI,0
CCCCc1ccc(C#CC#Cc2ccc(CCCC)s2)s1,CI,0
c1ccc(-c2cc(-c3cccs3)c(-c3cccs3)s2)cc1,CI,0
CC(=O)c1ccc(-c2oc(-c3ccccc3)cc2-c2ccc3c(c2)OCO3)s1,CI,0
c1csc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)c1,CI,0
COCOc1ccc(C(=O)Oc2cccc3c2OC(C)(C)O3)c(OCOC)c1,CI,0
COc1cc(C(=O)Oc2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0
O=C(CCC(=O)c1ccsc1)c1ccsc1,CI,0
COc1ccc(C(=C2C(=O)N(c3ccccc3)C(=O)C2=C(C)C)c2ccc(OC)cc2)cc1,CI,0
COc1ccc(C(=C2C(=O)OC(=O)C2=C(C)C)c2ccc(OC)cc2)cc1,CI,0
O=C(Oc1cc(=O)c(OC(=O)c2ccccc2)co1)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)Oc2coc(CO)cc2=O)cc1,CI,0
O=c1cc(CO)oc(C(O)c2ccccc2)c1O,CI,0
O=C1N=C(c2ccccc2)OC1=Cc1ccccc1,CI,0
Cn1c(-c2cccs2)cc(-c2cccs2)c1-c1cccs1,CI,0
Cn1c(-c2ccccc2)cc2c3ccsc3c3ccsc3c21,CI,0
O=C(CC(C(=O)c1ccco1)c1cccs1)c1cccs1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccccc1)c1ccccc1O,CI,0
O=C(C=Cc1ccc(-c2ccccc2)cc1)c1cccs1,CI,0
CC(=O)OCC1OC(NC(=S)Nc2nc(-c3ccccc3)cc(-c3cc(Cl)ccc3O)n2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
COC(=O)C(Cc1ccccc1)N1OC12CCCCC2NC(=O)OC(C)(C)C,CI,0
Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1,CI,0
COc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1,CI,0
CCOC(=O)N1C2CCCC2C(=O)C2CCCC21,CI,0
CCCCCCCCCCCCN1C2CCCC2C(O)C2CCCC21,CI,0
CC(C)(C)OC(=O)NC1CCCC1C(O)(C1=CCCC1)C1=CCCC1,CI,0
CC(C)(C)OC(=O)N1C(=O)C2CCCC21,CI,0
CC(C)(C)OC(=O)NC1CCCC1C(=O)C1=CCCC1,CI,0
O=C1C2CCCC2N1Cc1ccccc1,CI,0
COC1CC(COCc2ccccc2)CC(OC)O1,CI,0
O=C1CC2CC(CC3(CO3)C2)C1F,CI,0
C=C1CC2CC(=O)C(O)C(C1)C2,CI,0
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)C1(O)C(=O)CO,CM,1
CCP1(=O)N(CC(C)(C)C)C(c2ccccc2)CC(c2ccccc2)N1CC(C)(C)C,CI,0
CC(C)N1C2CCCCC2N(C(C)C)[PH]1=O,CI,0
CC(C)(C)OC(=O)N1NC(c2ccccc2)CC1c1ccccc1,CI,0
CC(C)(C)OC(=O)N1N=CCC1c1ccccc1,CI,0
O=C1C(O)C2CCCC23CCCN13,CI,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],CI,0
CC1CCN(C(C)C)P(=S)(Cc2ccccc2)O1,CI,0
CCC(C(=O)C(=O)C(CC)P1(=O)OC(C)(C)CN1C(C)(C)C)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0
COC(=O)CP1(=O)OC2C(C3CCC2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
CC1(C)C2CCC1(C)C(O)C2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CI,0
CC(C)OC(=O)C1ON2OC(OC3CCCCC3c3ccccc3)C([Si](C)(C)c3ccccc3)C3OC(=O)C1C32,CI,0
COC1OC2C(O)CN3C(=O)C(OS(=O)(=O)c4ccc(C)cc4)C1C23,CM,1
O=C1C(O)C2C(O)OC3C2N1CC3[Si](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
COC(=O)C1ON2OC(OC3CCCCC3C(C)(C)c3ccccc3)CC3CCC1C32C,CI,0
CCOC(=O)C1ON2OC(OC3CCCCC3c3ccccc3)CC3OC(=O)C1C32,CI,0
COC(=O)C1C(OC(=O)C(OC)c2ccccc2)ON2CCC(OC(=O)c3ccccc3)C12,CI,0
COC(=O)C1C(O)C(=O)N2CCC(OC(=O)c3ccccc3)C12,CI,0
CC(=O)OC1C(OC2CCCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12CCCCC2,CI,0
CCC1(c2ccc3c(c2)OCO3)[CH-][N+](=O)OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(C)=O,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OC2CCCC2(c2ccccc2)c2ccccc2)ON2OC(C3OCCO3)CC21,CI,0
CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12COCc1cc3c(cc12)OCO3,CI,0
O=[N+]([O-])C=C1COCc2cc3c(cc21)OCO3,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)[CH-][N+](=O)OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(=O)c1ccccc1,CI,0
O=C(OC=COC1CCCC1(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
COC(=O)C1CC2C(c3ccccc3Br)C(OC(C)=O)C(OCc3ccccc3)ON2O1,CI,0
CC(=O)OC1CN(S(=O)(=O)c2ccc(C)cc2)CC1C1CCCCC1,CI,0
CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC1c1ccccc1,CI,0
CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC1C1CCCCC1,CI,0
COc1ccc(C2C=[N+]([O-])OC(OC3CCCC3)C2OC(C)=O)cc1OC,CI,0
S=c1[nH]nc(COc2ccc(Cl)cc2)n1-c1ccccc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4c5ccccc5CC4C3C2=O)cc1,CI,0
O=c1[nH]c(=O)n(COCCOCc2ccccc2)cc1Nc1ccccc1,CI,0
Cc1ccc(C)c(COCCOCn2c(=O)[nH]c(=O)c3cc(Br)ccc32)c1,CI,0
Cc1ccc(C)c(COCCOCn2cc(N3CCOCC3)c(=O)[nH]c2=O)c1,CI,0
Nc1nc(N)nc(-c2cnccn2)n1,CI,0
Nc1nc(N)nc(-c2cnc3ccccc3c2)n1,CI,0
CC1CCCOc2ccc(cc2)C=Nc2ccc(cc2)CCc2ccc(cc2)N=Cc2ccc(cc2)OCCC1,CI,0
O=[N+]([O-])c1cc2ccc1OCc1cccc(n1)COc1ccc(cc1[N+](=O)[O-])C=NCCCCCCCCN=C2,CI,0
CC1CCOc2ccc(cc2)C=Nc2ccc(cc2)CCc2ccc(cc2)N=Cc2ccc(cc2)OCC1,CI,0
CCOC(=O)C=C1SC12C(C)(C)CCCC2(C)C,CI,0
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)cc1F,CM,1
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(OC(C)=O)C(COP(=O)(O)OCC3CCC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)O3)O2)cc1F,CM,1
Nn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O,CM,1
O=C1C(Cc2ccccc2)CC2COC(c3ccccc3)N12,CI,0
O=C(c1ccccc1)C1CC2COC(c3ccccc3)N2C1=O,CI,0
CCOC(=O)C1CC(C(=O)c2ccccc2)N2N=C(c3ccc(Br)cc3)C=CC12,CI,0
CCOC(=O)c1cc(=O)oc2c1N(C)c1ncccc1N2,CI,0
CN(CCN)C(CSSCC(c1ccccc1O)N(C)CCN)c1ccccc1O,CI,0
COC(=O)C1=C(C(=O)OC)C(N(C)C)C(C(=O)OC)=C(C(=O)OC)S1,CI,0
CC(C)(C)c1ccc(-c2nnc(-c3cc(C#N)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1,CI,0
COc1ccc(N2C(=O)C3CC4=CC(=O)CC4C32)cc1,CI,0
CCOC(=O)C1(C(C)=O)CC(C)=C(C)CS1=O,CI,0
CCCN(CCc1ccc(-c2ccccc2)cc1)CCc1ccc2nn[nH]c2c1,CI,0
CCCN(CCCc1ccccc1)CCc1ccc2[nH]c(=S)[nH]c2c1,CI,0
C=CCc1cccc(C(=O)C=C(O)C=Cc2ccccc2Cl)c1O,CI,0
CCCCCCCCCc1nn2c(Cc3ccccc3)nnc2s1,CI,0
Cc1ccc(Cc2cc(N3CCN(c4cccc(Cl)c4)CC3)nnc2C)cc1,CI,0
CCC1(O)CC(CCN(Cc2ccccc2)C(=O)OCc2ccccc2)C(OCc2ccccc2)C1O,CI,0
CCC1=CC(OCc2ccccc2)C(CCN(Cc2ccccc2)C(=O)OCc2ccccc2)C1,CI,0
COC(=O)C(Cc1ccccc1I)C1=CCC2(CC1)OCCO2,CI,0
CC1(C)OC(CP(c2ccccc2)c2ccccc2)C(CP(c2ccccc2)c2ccccc2)O1,CI,0
CC1(C)OC(CP(c2cccc3ccccc23)c2cccc3ccccc23)C(CP(c2cccc3ccccc23)c2cccc3ccccc23)O1,CI,0
CC1(C)OC(CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)C(CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1,CI,0
CC(C)[Si](OC1=CCCCCC12C(=O)N(C)c1ccccc12)(C(C)C)C(C)C,CI,0
CCOC(=O)N1CCC2(CC1)CC(C)(C(C)=O)C(C)O2,CI,0
CCOC(=O)N1CCC2(CC1)CC(Sc1ccccc1)(C(C)=O)C(C)O2,CI,0
C=CC1(C)OC2(CCN(C(=O)OCC)CC2)OC1C,CI,0
CCCCC(C)C=C1CN2CCCC2C(C)(O)C1O,CI,0
COc1ccc(COC2C(C[N+]([O-])=NNc3ccc([N+](=O)[O-])cc3)OC3OC(C)(C)OC32)cc1,CI,0
Cc1cn(C2CC3C(COC(CCc4ccccc4)N3O)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2OC3CN(O)C(C)C3(O)C2O)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(CC=[N+]([O-])CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(N3C(=O)c4ccccc4C3=O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(N(O)C(=O)Nc3ccccc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
CCc1c(Cc2ccccc2)n(COCC[Se]c2ccccc2)c(=O)[nH]c1=O,CA,1
CC(C)(C)[Si](C)(C)OC1C(=O)C(CO)OC1n1ccc(=O)[nH]c1=O,CI,0
C=CCCCCCCC#CCCCCCCCCCCC1C(=O)OC(C)C1O.CCCCCCCCC#CCCCCCCCCCCC1C(=O)OC(C)C1O,CI,0
CCc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1CS(=O)(=O)CC2,CI,0
Cc1ccc2c(c1)C(=O)N1CCCC1C=N2,CI,0
COc1cc2c(cc1OCCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,CI,0
COc1cc2c(cc1OCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,CI,0
COc1cc2c(cc1OCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,CM,1
COc1cc2c(cc1OCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,CI,0
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1sccc12,CI,0
COc1ccc(-c2c(C(=O)Nc3ccccc3)c(-c3ccccc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1,CI,0
CC(=O)Oc1ccc(CCC(=O)OC(C(=O)O)C(OC(=O)CCc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O,CM,1
O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1Cc1ccccc1,CI,0
COc1cc(C=C2C(=O)N(Cc3ccccc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0
COc1cc(C=C2SC(c3ccccc3)N(Cc3ccccc3)C2=O)cc(OC)c1OC,CI,0
CC(C)CC(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccccc1,CM,1
CCOC(=O)COc1ccc(CC(NC(=O)OC2CCOC2)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1,CA,1
C=CCOc1ccc(Sc2c(O)cc(-c3ccccc3)oc2=O)c(C(C)(C)C)c1,CI,0
CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)COc2ccc(Sc3c(O)cc(-c4ccccc4)oc3=O)c(C(C)(C)C)c2)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O,CI,0
CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)COc2ccc(CC(NC(=O)OC3CCOC3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)cc2)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O,CA,1
CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C2CCCN2CC(O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(C)CC)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O,CA,1
CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)OCc2ccccc2Cl)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O,CM,1
Cc1nc(C(=Nn2cnnc2)Nc2ccc(Br)cc2)no1,CI,0
NC(c1ccccc1)(C(F)(F)F)P1(=O)OC(=O)c2ccccc2O1,CI,0
COc1ccc2c(c1)C(=O)CC1c3cnccc3C(=O)N21,CI,0
C=C1CN(Cc2ccccc2)C2CCCCCC(C#N)C12,CI,0
CCOP(=O)(OCC)C12CC(C)C=CC1COC2=O,CI,0
Cc1ncc(COP(=O)(O)O)c(C=C2SC(=S)NC2=O)c1O.[NaH],CI,0
COC(=O)C1N2C(=S)N(c3ccccc3)C(=O)C2SC1(C)C,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(C)(C)OC1C1SCCCS1,CI,0
CC1(C)OC(C(O)CO)C(O)C(C2SCCCS2)O1,CI,0
COc1cccc2c1CCc1cc3c(N)nc(N)nc3nc1-2,CI,0
NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1,CI,0
NS(=O)(=O)c1nnc(NSc2ccc([N+](=O)[O-])cc2)s1,CI,0
NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1,CI,0
NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1,CI,0
O=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=O)NC1CCCCC1,CI,0
S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=S)NC1CCCCC1,CI,0
S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)o1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NN=Cc1ccccc1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NC1CCCCC1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NCc1ccccc1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)N1CCOCC1,CI,0
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)Nc1ccccc1,CI,0
O=C(c1ccco1)n1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0
S=C(Nc1ccc(Br)cn1)NC12CC3CC(CC(C3)C1)C2,CI,0
C1C2CC3CC1CC(Nc1nc(NC45CC6CC(CC(C6)C4)C5)nc(NC45CC6CC(CC(C6)C4)C5)n1)(C2)C3,CI,0
Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC23CC4CC(CC(C4)C2)C3)n1,CI,0
Nc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1,CI,0
CCOC1=C(c2ccccc2)Oc2cccnc2-n2cccc21,CI,0
O=c1c(-c2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CI,0
O=C1c2c(O)cc(O)cc2OC12c1c(cc(O)c3c1OC(c1ccc(O)cc1)C(O)C3)OC2c1ccc(O)cc1,CM,1
O=C(c1c(O)cc(O)cc1O)c1c(-c2ccc(O)cc2)oc2cc(O)c3c(c12)OC(c1ccc(O)cc1)C(O)C3,CM,1
CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C,CI,0
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0
O=c1oc(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(Br)cc1,CI,0
COc1ccc(N(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1,CI,0
CC1(C)OC2COC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1,CI,0
O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccccc3)C(=O)C12,CI,0
Clc1ccc2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccccc3)c2c1,CI,0
Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c3cc(Cl)ccc3nc21,CI,0
Cc1nn(-c2ccccc2)c2nc3ccc(Cl)cc3c(-c3ccccc3)c12,CI,0
S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccnc1,CM,1
CC1=C2C(=O)NN=C2CCN1c1ccc(Br)cc1,CI,0
c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6nsnc56)[nH]4)c4nsnc34)[nH]2)c2nsnc2c1,CI,0
c1c[nH]c(-c2ccc(-c3ccc[nH]3)c3nsnc23)c1,CI,0
CN1C(=O)NC(=O)C(=CNc2ncccn2)C1=O,CI,0
Cc1cccnc1NC=C1C(=O)NC(=O)N(C)C1=O,CI,0
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCC[n+]2ccccc2)cc1.[Br-],CA,1
S=c1[nH]nc(-c2ccccc2Nc2ccccc2-c2n[nH]c(=S)n2-c2ccccc2)n1-c1ccccc1,CM,1
CC(=O)N1N=C(c2ccccc2Nc2ccccc2C2=NN(C(C)=O)C(c3ccccc3)O2)OC1c1ccccc1,CI,0
Nn1c(-c2ccccc2Nc2ccccc2-c2n[nH]c(=S)n2N)n[nH]c1=S,CI,0
CCNc1nnc(-c2ccccc2Nc2ccccc2-c2nnc(NCC)s2)s1,CI,0
c1ccc(Nc2nnc(-c3ccccc3Nc3ccccc3-c3nnc(Nc4ccccc4)s3)s2)cc1,CI,0
O=C(NNC(=S)Nc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NNC(=S)Nc1ccccc1,CM,1
O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Nc1ccccc1C(=O)NN1C(=O)c2ccccc2C1=O,CI,0
O=C(NN1C(=O)C=CC1=O)c1ccccc1Nc1ccccc1C(=O)NN1C(=O)C=CC1=O,CM,1
O=C(NN=CC=Cc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NN=CC=Cc1ccccc1,CI,0
CC1(C)CC(=O)C2=C(C1)OC1(CC2c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1,CI,0
CCCn1c(=O)c(N2CCN(c3ccccc3)CC2)nc2sc3ccccc3c21,CI,0
Cc1cc2ncc3c(=O)n(NS(=O)(=O)c4ccc(N)cc4)ccc3n2n1,CI,0
CCOC(=O)c1cnn2c1ncc1c(=O)n(NC(N)=O)ccc12,CI,0
CCn1c2ccccc2c2cc(N=Nc3ccc(C#N)cc3)ccc21,CI,0
Cc1cc[n+]([Pt-2]([OH+][N+](=O)[O-])([OH+][N+](=O)[O-])[n+]2ccc(C)cc2)cc1,CI,0
COc1cc2c(cc1OC)C1c3ccccc3CN1CC2.Cl,CI,0
CC(c1ccccc1)N1CC(c2ccc3c(c2)OCO3)C2C(=O)CCCC21,CI,0
CC(c1ccccc1)C(CC#N)C1CCCC1(O)C#Cc1ccc2c(c1)OCO2,CI,0
CC(c1ccccc1)N1COC2(C#Cc3ccc4c(c3)OCO4)CCCC12,CI,0
C(#CC12CCCC1NCO2)c1ccc2c(c1)OCO2,CI,0
Cl.OC1CCCC2NCC(c3ccc4c(c3)OCO4)C12,CI,0
Cl.O=C1CCCC2NCC(c3ccc4c(c3)OCO4)C12,CI,0
CC(Sc1ccccc1)=C1CCCN(Cc2ccccc2)C1.O=C(O)C(=O)O,CI,0
C=CCC1NCCC2=C1C(S(=O)(=O)c1ccc(C)cc1)c1ccccc12,CI,0
CN(C)N=C1C=C2CCC(O[Si](C)(C)C(C)(C)C)C2(C)CC1,CI,0
CC(C)(C)[Si](C)(C)OC1(CCc2ccccc2OS(=O)(=O)C(F)(F)F)CCCC=C1COCc1ccccc1,CI,0
C=CC1(O)CCCC=C1COCc1ccccc1,CI,0
O=S(c1ccccc1)C1CC2CC3(CCC21O)OCCO3,CI,0
O=C1CCC2(CC1CCS(=O)c1ccccc1)OCCO2,CI,0
COC(CC1CCCCC1(O)C(=CCO[Si](C(C)C)(C(C)C)C(C)C)Sc1ccccc1)OC,CI,0
O=C1CCCCCC1CC(Sc1ccccc1)Sc1ccccc1,CI,0
O=C1CCC2(CC1CC(Sc1ccccc1)Sc1ccccc1)OCCO2,CI,0
O=C1CCC2(CC1CCSc1ccccc1)OCCO2,CI,0
NC(=S)NN=C1CCCC2CCCCC12,CI,0
COc1ccc(C(C)=C2CCCN(Cc3ccccc3)C2)cc1,CI,0
CCC12CN(C(=O)OC)C3C(Br)C1CCC(=O)C32,CI,0
COc1c2cc([N+](=O)[O-])cc1CNC(=O)CN1CCOCCOCCN(CCOCCOCC1)CC(=O)NC2,CI,0
COc1c2cc([N+](=O)[O-])cc1CN(C(=O)C(F)(F)F)CCOCCN(C(=O)C(F)(F)F)C2,CI,0
CCN(CC)Cc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3,CI,0
O=c1c2c3c(sc2nc(CN2CCNCC2)n1-c1ccccc1)CCCC3,CI,0
C=CC1CN(C(=O)OCC)N(C(=O)OCC)C1CCc1ccccc1,CI,0
CN1C(=O)CN(NC(=O)C2=C(O)c3ccc(Br)cc3S(=O)(O)=N2)C1=S,CI,0
C1=CSSC=CSSC=CSSC=CSS1,CM,1
C1=CSSC=CSS1,CI,0
O=c1c(NCc2ccccc2)c(C2(c3ccccc3F)SCCCS2)c1=O,CI,0
COc1cc(C2=C(c3cc(OC)c4ccccc4c3OC)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12,CI,0
CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)c3ccccc3C2=O)=CC1=O,CI,0
CC1=C(C)C(=O)C(C2=CC(=O)c3ccccc3C2=O)=C(C2=CC(=O)c3ccccc3C2=O)C1=O,CI,0
O=C1C=C(C2=C(C3=CC(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21,CI,0
CC(=O)C=C1C(=O)C(CC(C)C)=C1CC(C)C,CM,1
CC(=O)CC1=C(OC(C)C)C2(OCCO2)C1O,CI,0
CCCCC1=C(C(=O)N2CCOCC2)C2(OCCO2)C1=O,CI,0
CCCCC1=C(C(=O)N2CCOCC2)C2(OCCO2)C1Cl,CI,0
CCCCc1c(N(C)C)c(OC(C)=O)c(-c2cn(C)c3ccccc23)oc1=O,CI,0
COC1(C2c3ccccc3CCN2C(=O)OC(C)(C)C)C(=O)C(c2ccccc2)=C1N(C)C,CI,0
COC1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3C12,CI,0
Cc1nnc(N)nc1C=Cc1c(O)ccc2ccccc12,CI,0
Cc1nnc(N)nc1C=Cc1cccs1,CI,0
Cc1nnc(-n2c(O)cc(=O)n(-c3ccccc3)c2=S)nc1C=Cc1ccc(N(C)C)cc1,CI,0
Cc1nn2c(=N)cc(O)nc2nc1C=Cc1ccc(N(C)C)cc1,CI,0
COc1cc(C=Cc2nc(NC(=S)Nc3ccccc3)nnc2C)cc(OC)c1OC,CI,0
CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1cccs1,CI,0
CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1c(O)ccc2ccccc12,CI,0
Cc1nnc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)nc1C=Cc1ccc(N(C)C)cc1,CM,1
Cc1nnc(N)nc1CC=CC(C)Sc1ccc(Cl)cc1,CI,0
Cc1nnc(N)nc1CC=CC(Sc1ccc(Cl)cc1)c1ccccc1,CM,1
COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)C2C1,CI,0
COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)CC(C#N)C2C1,CI,0
Cc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)C2C)cc1,CI,0
O=C1CCC2SC1CCC2=O,CI,0
COC(=O)C1=CN(C2CCCCC2)C2(c3ccccc3)c3ccccc3C(=O)OC(=O)C12,CI,0
COC(=O)C1=C(c2ccccc2)c2ccccc2C(=O)N(C2CCCCC2)C=C1,CI,0
C=CCCCN(C(=O)c1ccccc1)c1ccc(C(=O)OC)o1,CI,0
CCOC(=O)C12OC(OCC)(CC1(OCC)OCC)C1(CC1)C2=O,CI,0
CC(=O)Oc1cc2c(n(C)c1=O)CCC2,CI,0
COC(=O)C12OC(C)(C(CC(=O)OC(C)(C)C)C1=O)C1C(=O)N(c3ccccc3)C(=O)C12,CI,0
COC(=O)CN1C(=O)C2(C(=O)OC)OC1(c1ccc([N+](=O)[O-])cc1)C1C(=O)N(c3ccccc3)C(=O)C12,CI,0
C1=CC2C(C3CN(c4ccccc4)N=C13)C1C3C4C=CC21C=CC43,CI,0
CC12CC3c4ccccc4CN1C3(c1ccccc1)OC2=O,CI,0
Cc1c(-c2ccccc2)nn2cc(-c3ccccc3)nnc12,CI,0
COC(=O)C1(O)C(c2ccccc2)NC2(C)CCCC21,CI,0
COC(=O)C1(O)C(c2ccccc2)=NC2(C)CCCC21,CI,0
Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCc3cc(O)c([N+](=O)[O-])cc32)cc1,CI,0
CC1(CC(=O)OC(C#C[Si](C)(C)C)Cc2ccccc2)OCCO1,CI,0
CC(=O)Oc1cc2c(n(C)c1=O)-c1ccccc1C2,CI,0
CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2.[Br-],CI,0
Cc1cc2c(c(=O)n1C)SCC2,CI,0
O=C1CCCN1C(=O)CS(=O)(=O)c1ccccc1,CI,0
O=C1Nc2ccccc2C1S(=O)(=O)c1ccccc1,CI,0
N#Cc1c(-c2ccc(Cl)cc2Cl)nc2[nH][nH]c(=S)n2c1=O,CI,0
CCn1nc2c3c(ncn3C(C)(C)O2)c1=O,CI,0
N=c1[nH]onc1-c1noc(-c2no[nH]c2=N)[n+]1[O-],CI,0
Cc1ccccc1N=Nc1ccc(NN=C2CCCNC2=O)c(C)c1,CI,0
N=c1[nH]onc1-c1no[n+]([O-])c1-c1no[nH]c1=N,CI,0
c1ccc2nc3nc4c(nc3nc2c1)NON4,CI,0
CN(C)c1nc2no[nH]c-2nc1=Nc1ccccc1,CI,0
c1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12,CI,0
O=P1(Oc2ccc(Cl)cc2)OCCS1,CI,0
CC=C1CC(C(=O)OCC)CCCCCCC1=O,CI,0
CC=C1CC(C(=O)OCC)CCCCCCCCCCC1=O,CI,0
Cc1cn(CC2=NC3CCCCC3N2)c(=O)[nH]c1=O.Cl,CI,0
O=C(c1ccccc1)n1c(Cc2ccccc2)nc2cc(C34CC5CC(CC(C5)C3)C4)ccc21,CI,0
c1ccc(COc2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1,CI,0
CCOC(=O)c1sc2nc(SC)nc(N3CCCCC3)c2c1N,CI,0
CN1CCN(c2ncc3c(n2)sc2c(=O)n(-c4ccccc4)cnc23)CC1,CI,0
O=c1c2sc3nc(NCCN4CCCCC4)ncc3c2ncn1-c1ccccc1,CI,0
CSc1ncc2c(n1)sc1c(=O)n(-c3ccccc3)cnc12,CI,0
CNc1nc(SC)nc2c1c(=N)[nH]n2C,CI,0
O=c1c(=Cc2ccccn2)sc2nc3cc4c(cc3n12)OCCO4,CI,0
CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1C2O)OCO4,CI,0
CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1C2O)OCCO4,CI,0
CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccccc1Cl,CI,0
CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3C1CC1,CI,0
CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3C,CI,0
COCN1C(=O)C2CCCN2C(=O)c2cc(OC)c(Cc3ccccc3)cc21,CI,0
COc1cc2c(cc1OCc1ccccc1)NC(=O)C1CCCN1C2=O,CI,0
CNc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1CCCC1CO,CI,0
COC(=O)c1ccc(CON=C(c2ccccc2)c2cccnc2)cc1,CI,0
COC(=O)c1ccc(CON=C(c2ccccc2)c2ccncc2)cc1,CI,0
COC(=O)c1ccc(CON=C(c2ccccc2)c2ccccn2)cc1,CI,0
Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1,CI,0
Cc1cc2c(cc1C)[n+](=O)[c-](C#N)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]2[O-],CI,0
N#Cc1nc2ccccc2nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CI,0
O=C(NC1=NCC(CN2CCN(c3ccccc3)CC2)O1)Nc1ccccc1,CI,0
O=C(Nc1ccccc1)N1CC(CN2CCN(c3ccccc3)CC2)OC1=O,CI,0
N=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1,CI,0
COc1ccc(C2NC3=C(CCCC3)C3(C#N)C(=O)NC(=N)C23C#N)cc1,CI,0
N#CC12C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C1(C#N)C(c1ccccc1)NC1=C2CCC1,CI,0
N#CC12C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C1(C#N)C(c1ccccc1)NC1=C2CCCC1,CI,0
CC1=C(C)C2(C#N)C(=O)N3C(=NC(c4ccco4)NC3c3ccco3)C2(C#N)C(c2ccco2)N1,CI,0
N#CC12C(=O)NC(=N)C1(C#N)C(c1ccco1)NC1=C2CCCC1,CI,0
COC1(OC)NC(=N)C2(C#N)C(c3ccccc3)NC3=C(CCC3)C12C#N,CI,0
CC1=C(C)C2(C#N)C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C2(C#N)C(c2ccccc2)N1,CI,0
N#CC12C(=O)N3C(=NC(c4ccco4)NC3c3ccco3)C1(C#N)C(c1ccco1)NC1=C2CCCC1,CI,0
CCOC(=O)C1(C#N)C2(C#N)C(=N)NC(ON=C(C)C)(ON=C(C)C)C21C#N,CI,0
N#CC(C#N)=C1C(=O)NC(N)=C1C#N,CI,0
N#CC(C#N)=C1C(C#N)=C(N)NC12OCCO2,CI,0
Cc1nc2c3c(Cc4ccccc4)c(C)[nH]c3ncn2n1,CI,0
CCC1=NC(NN=Cc2ccco2)=NC1=Cc1ccco1,CI,0
CCC1=NC(NN=Cc2ccco2)=NC1=Cc1ccccc1O,CI,0
CCC1=NC(NN=Cc2ccccc2O)=NC1=Cc1ccccc1O,CI,0
O=C1c2ccccc2C(=O)N1CCCSCC(CO)SCCCN1C(=O)c2ccccc2C1=O,CI,0
CN(C)CCCSCC(COc1nccc(-c2ccc(-c3ccc(-c4ccnc(OCC(CSCCCN(C)C)SCCCN(C)C)n4)s3)s2)n1)SCCCN(C)C,CM,1
O=C1c2ccccc2C(=O)N1CCSCC(CO)SCCN1C(=O)c2ccccc2C1=O,CI,0
COc1c(C(=O)CC2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)C2c2nc3ccccc3[nH]2)c(O)c(OC)c2occc12,CA,1
CC(C)(C)C1=NC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1,CI,0
CCOC(=O)c1cc(C(=O)c2ccccc2)n2nc(-c3ccc(Cl)cc3)ccc12,CI,0
Cc1cc2n(C)cc(-c3ccnn3C)c(=O)n2n1,CI,0
Cn1ccc(-c2cn(C)c3ccnn3c2=O)n1,CI,0
CCCNC(=O)N1CC(CN2CCN(c3ccccc3)CC2)OC1=NC(=O)Nc1ccccc1,CI,0
O=C(N=C1OC(CN2CCOCC2)CN1C(=O)Nc1ccccc1)Nc1ccccc1,CI,0
c1ccc2sc(SSSc3nc4ccccc4s3)nc2c1,CM,1
CSc1nc(=O)c2nc(-c3cccs3)c(-c3cccs3)nc2n1C,CI,0
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21,CM,1
CC1(C)C2CC1C(C(O)C1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12,CI,0
Cc1cc(C)c(C2=NOC(c3ccccc3)(c3cc(=O)n(-c4ccccc4)s3)O2)c(C)c1,CM,1
CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C(=O)CC1c1ccccc1,CI,0
CCOC(=O)c1c(O)cn2c1[nH]c1cccc3cccc2c31,CI,0
O=C1C2CN3CN(c4ccccc4)N=C(c4ccccc4)C3(c3ccccc3)C2C(=O)N1c1ccccc1,CI,0
CCOC(=O)C1CCN2CN(c3ccc(OC)cc3)N=C(c3ccccc3)C12c1ccccc1,CI,0
CC(C)(C)[Si](C)(C)OCC1=C(CC#N)C(O[Si](C)(C)C(C)(C)C)C(n2ccc(=O)[nH]c2=O)O1,CI,0
CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCOS(=O)(=O)c1ccc(C)cc1,CI,0
Cc1cn(C2CC3C(COC(CC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O,CM,1
Cc1nc(CC2C(CO[Si](C)(C)C(C)(C)C)OC(n3ccc(=O)[nH]c3=O)C2O[Si](C)(C)C(C)(C)C)no1,CI,0
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(N)=O)CS2=O,CI,0
Cc1cn(C2CC([N+]([O-])=NNc3ccc([N+](=O)[O-])cc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1ccc(C2(O)CSC(=NC34CC5CC(CC(C5)C3)C4)N2C(P(=O)(O)O)P(=O)(O)O)cc1,CI,0
CC1=CSC(=NC23CC4CC(CC(C4)C2)C3)[NH+]1C(P(=O)([O-])O)P(=O)(O)O,CI,0
Cc1csc(=NC(P(=O)(O)O)P(=O)(O)O)n1C.[NaH],CI,0
Cc1csc(=Nc2ccccc2)n1CCC(O)(P(=O)(O)O)P(=O)(O)O,CI,0
O=C1CC(C(=O)N2CCCCC2)n2c(=O)n(-c3ccccc3)c(=O)n2C1,CI,0
CC1(C)COC(CCCCCNC2=NCCCCC2)=N1,CI,0
CC1(C)SC(CCCCCCCCCCCNC2=NCCCCCCCCCCC2)=NC1C(=O)O,CI,0
N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccccc2)n(-c2ccccc2)c1N,CI,0
Fc1cc(-c2ncc(Cl)cc2Cl)c2cccccc1-2,CI,0
C1=NN2C(c3ccccc3)=NOC2C2C(c3ccccc3)=NOC12,CI,0
CC12ON=C(c3ccccc3)N1C=CN1C(c3ccccc3)=NOC12,CI,0
O=C1NC2ON=C(c3ccccc3)C2C2ON=C(c3ccccc3)N12,CI,0
CC12C=CC(C)(C3C(=O)C4C(C(=O)C31)C1(C)C=CC4(C)S1=O)S2=O,CM,1
COC(=O)C1=C(C(=O)OC)C2OC1C1C2C2(C)C(C)=C(C)C1(C)S2=O,CI,0
O=C(NC(CO)Cc1ccc(Oc2cc(CC(CO)NC(=O)OCc3ccccc3)ccc2OC(=O)OCc2ccccc2)cc1)OCc1ccccc1,CI,0
COc1ccc(CC2CN(C(=O)c3ccccc3)C(Cc3ccc(O)cc3)CN2C(=O)c2ccccc2)cc1Br,CI,0
COc1ccc(CC(COS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Oc1ccc(C=Nc2nccs2)c(O)c1,CI,0
CC1(O)Oc2ccc3ccccc3c2C=C1C(N)=O,CI,0
CC1=C(C(N)=O)C(c2ccncc2)C(C#N)C(=O)N1,CI,0
O=C1C=CC(=CC2SSC=CC23C=CC(=O)C3)C1,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O,CM,1
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0
N=c1c2c3n(c4c(=O)n(-c5ccccc5)c(=S)n(c(=O)n1-c1ccccc1)c24)CCCCC3,CI,0
N#Cc1c2n(c3c(=O)n(-c4ccccc4)c(=S)[nH]c13)CCCCC2,CI,0
Cc1nc2cn3c(c2c(=O)[nH]1)CCCCC3,CI,0
O=c1[nH]c(=O)c2c3n(cc2[nH]1)CCCCC3,CI,0
CCOC(=O)c1c(NC(=O)Nc2ccccc2)c(C(N)=O)c2n1CCCCC2,CI,0
CCOC(=O)c1c(NC(=O)c2ccccc2)c(C#N)c2n1CCCCC2,CI,0
Nc1nc(N)nc(-c2cccs2)n1,CI,0
COC(=O)C12C(=O)C(C)C(=O)C1(C)C(C)=CC1C3(C=O)CCC(OC(C)=O)C(C)(C)C3CCC12C,CI,0
COC(=O)c1cc(C(=CCC2OCCO2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CM,1
CCC1(Cc2ccc(OC)c(OC)c2)CN(S(=O)(=O)c2ccc(C)cc2)CC1OC(C)=O,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OCc2ccccc2)ON2OC(C(=O)OC)CC21,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)[CH-][N+](=O)OC(OC2CCCCC2c2ccccc2)C1OC(C)=O,CI,0
CCC1(Cc2ccc(OC)c(OC)c2)[CH-][N+](=O)OC(OCc2ccccc2)C1OC(C)=O,CI,0
Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12,CI,0
CC1CN2C(=O)C(OC(=O)Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C3CCC1C32C,CI,0
CC(=O)C1C(OCc2ccccc2)O[N+](=O)[C-](C)C1c1ccccc1,CI,0
CC12C3CCC1C(O)C(=O)N2CC3,CI,0
COc1ccc(C23CCC(=O)CC2N(C)CC3)cc1OC.Cl,CI,0
COc1ccc(C23CCN(S(=O)(=O)c4ccc(C)cc4)C2C(CO)C2(CC3)OCC(C)(C)CO2)cc1OC,CI,0
C=CC1(CCC2(c3ccc(OC)c(OC)c3)[CH-][N+](=O)OC(OC3CCCCC3C(C)(C)c3ccccc3)C2)OCC(C)(C)CO1,CI,0
COc1ccc(C23CCC4(OCC(C)(C)CO4)C4CON(OC(OC5CCCCC5C(C)(C)c5ccccc5)C2)C43)cc1OC,CI,0
C=CC1(CCC(=C[N+](=O)[O-])c2ccc(OC)c(OC)c2)OCC(C)(C)CO1,CI,0
CCC1(c2ccc(OC)c(OC)c2)CCN2C(=O)C(O)CC21,CI,0
O=C(OCC(Cl)(Cl)Cl)N1CCC(C2CCCCC2)C1,CI,0
CC1=C(C(=O)NC(CC(C)C)C(=O)O)N2C(=O)C(NC(=O)C(N)Cc3ccccc3)C2SC1,CI,0
CC1=C(C(=O)NC(Cc2ccccc2)C(=O)O)N2C(=O)C(NC(=O)C(N)CC(C)C)C2SC1,CM,1
CC1=C(C(=O)NC(CC(C)C)C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,CM,1
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C,CI,0
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0
C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2OC(=O)C(=CC1O)C2N(C)C,CI,0
Cc1ccc(S(=O)(=O)N2CC3(CN(S(=O)(=O)c4ccc(C)cc4)CC4(C2)OCCO4)OCCO3)cc1,CI,0
O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1,CI,0
O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1,CI,0
C=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1,CI,0
O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12,CI,0
C(CCCCc1nnc(N2CCOCC2)o1)CCCc1nnc(N2CCOCC2)o1,CI,0
C(CCCCc1nnc(N2CCCCC2)o1)CCCc1nnc(N2CCCCC2)o1,CI,0
Oc1ccc2ccccc2c1NCn1nc(CCCCCCCCc2nn(CNc3c(O)ccc4ccccc34)c(=S)o2)oc1=S,CI,0
Oc1c(NCn2nc(CCCCCCCCc3nn(CNc4ccc5ccccc5c4O)c(=S)o3)oc2=S)ccc2ccccc12,CI,0
NNc1nnc(CCCCCCCCc2nnc(NN)n2N)n1N,CI,0
Oc1ccc(O)c(Sc2nnc(CCCCCCCCc3nnc(Sc4cc(O)ccc4O)o3)o2)c1,CI,0
S=c1[nH]nc(CCCCCCCCc2n[nH]c(=S)o2)o1,CI,0
Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2Nc2ccccc2)n1Nc1ccccc1,CI,0
Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)n3Nc3ccccc3)n2Nc2ccccc2)ccc2ccccc12,CI,0
Nn1c(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2N)nnc1COc1c(O)ccc2ccccc12,CI,0
Nn1c(CCCCCCCCc2nnc(COc3ccc4ccccc4c3O)n2N)nnc1COc1ccc2ccccc2c1O,CI,0
Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)o2)o1,CI,0
Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)o3)o2)ccc2ccccc12,CI,0
O=C(COc1ccc(OCC(=O)N2C(=O)CSC2=Nc2ccccc2)cc1)N1C(=O)CSC1=Nc1ccccc1,CI,0
CNc1nnc(CNc2ccc(-c3nnc(NC)n3N)cc2)n1N,CI,0
Nn1c(CNc2ccc(-c3nnc(Nc4ccc(Cl)cc4)n3N)cc2)nnc1Nc1ccc(Cl)cc1,CI,0
Cn1c(CNc2ccc(-c3n[nH]c(=S)n3C)cc2)n[nH]c1=S,CI,0
S=c1[nH]nc(CNc2ccc(-c3n[nH]c(=S)n3-c3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1,CI,0
Clc1ccc(Nc2nnc(CNc3ccc(-c4nnc(Nc5ccc(Cl)cc5)o4)cc3)o2)cc1,CI,0
Clc1ccc(Nc2nnc(CNc3ccc(-c4nnc(Nc5ccc(Cl)cc5)s4)cc3)s2)cc1,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(c2c(I)c(=O)n(C)c(=O)n2C)C1=O,CI,0
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(NC(C)c2ccccc2)C1=O,CI,0
CC(C)=CCCC(C)c1c2ncc[nH]c-2c(C)c(=O)c1O,CI,0
COC(=O)c1nc2c(C)c(O)c(Oc3c(C)c(O)c(O)c(C(C)CCC=C(C)C)c3O)c(C(C)CCC=C(C)C)c2o1,CI,0
CC(C)=CCCC(C)C1=C(O)C(O)C(C)=C2N=C(c3ccccc3)C(=O)OC21,CI,0
CC(C)=CCCC(C)c1c2nc3ccccc3[nH]c-2c(C)c(=O)c1O,CI,0
Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1c(C)n(C)n(-c3ccccc3)c1=O)C(=CNc1c(C)n(C)n(-c3ccccc3)c1=O)C(=O)C(O)=C2C(C)C,CI,0
Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1c3ccccc3nc3ccccc13)C(=CNc1c3ccccc3nc3ccccc13)C(=O)C(O)=C2C(C)C,CI,0
Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1nc(-c3ccccc3)cs1)C(=CNc1nc(-c3ccccc3)cs1)C(=O)C(O)=C2C(C)C,CI,0
Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1ccccn1)C(=CNc1ccccn1)C(=O)C(O)=C2C(C)C,CI,0
Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNCC1CCCN3CCCCC13)C(=CNCC1CCCN3CCCCC13)C(=O)C(O)=C2C(C)C,CM,1
Oc1ccc(CCc2nc3ccccc3[nH]2)cc1,CI,0
Clc1cccc(Cl)c1Nc1ccccc1Cc1nc2ccccc2[nH]1,CI,0
N#Cc1c(N=CC=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCCC2,CI,0
N#Cc1c(N=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCCC2,CI,0
[O-][Cl+3]([O-])([O-])[O-].c1ccn2c(N3CCOCC3)[n+]3c4ccccc4[n+]4c(N5CCOCC5)n5ccccc5c4c3c2c1,CI,0
COc1ccc(C=NN2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1,CI,0
N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(Nc1ccccc1)C2=O,CI,0
N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(NC(=O)c1ccccc1)C2=O,CI,0
N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(NC(=S)Nc1ccccc1)C2=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=S)Nc1ccccc1)C2=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=O)c1ccccc1)C2=O,CI,0
Cc1ccc(S(=O)(=O)ON2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(Nc1ccccc1)C2=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(CCc1ccccc1)C2=O,CI,0
Cc1c(C)c2c(c(N)c1C#N)C(=O)N(CCN1CCNCC1)C2=O,CI,0
Cc1cc(S(=O)(=O)NC2=Nc3cccc(F)c3CN2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC2=NCc3nc4ccccc4n32)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc3ccccc3n2-c2ccccc2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc3cccc4cccc([nH]2)c43)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c(S)cc1Cl,CI,0
Cc1cc(C)c(O)c(CN2CCN(C(C)C)CCN(C(C)C)CC2)c1.[NaH],CI,0
COc1c2c(cc3oc(C)cc(=O)c13)OC(=N)C(C(N)=O)C2CC(=O)c1ccc(N)cc1,CM,1
N#CC(C#N)C1CCC=C(Sc2ccccc2)C1Sc1ccccc1,CI,0
N#CC1(C#N)C2CCC=C(Sc3ccccc3)C21,CI,0
COc1cc2c(=O)cnoc2cc1O,CI,0
O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1,CI,0
O=C(OCc1ccccc1)N1CCNCCNCCN(C(=O)OCc2ccccc2)CCNCC1,CI,0
O=C(CN1CCN(C(=O)OCc2ccccc2)CCN(CC(=O)N2CCCCC2)CCN(C(=O)OCc2ccccc2)CC1)N1CCCCC1,CI,0
O=C(CN1CCNCCN(CC(=O)N2CCCCC2)CCNCC1)N1CCCCC1,CI,0
O=C(O)CN1CCN2CCCCCCCCN(CC1)CCN(CC(=O)O)CC2,CI,0
O=C(O)CN1CCN2CCOCCOCCN(CC1)CCN(CC(=O)O)CC2,CI,0
O=C(O)CN1CCN2CCCCCN(CC1)CCN(CC(=O)O)CC2,CI,0
O=C(O)CN1CCN2CCOCCN(CC1)CCN(CC(=O)O)CC2,CI,0
O=C(OCc1ccccc1)N1CCNCCN(C(=O)OCc2ccccc2)CCNCC1,CI,0
N#Cc1c2n(c(=S)n(-c3ccccc3)c1=O)CCCCCCC2,CI,0
Cn1c(=O)c(C#N)c2n(c1=S)CCCCCCC2,CI,0
N#CC1=C(N)N(c2ccccc2)C(=S)N2CCCCCCCC12,CI,0
CN1C(=S)N2CCCCCCCC2C(C#N)=C1N,CI,0
N#Cc1c2n(c(=S)n(-c3ccccc3)c1=N)CCCCCCC2,CI,0
Cn1c(=N)c(C#N)c2n(c1=S)CCCCCCC2,CI,0
Cc1nc2c(C#N)c3n(c2c(=O)o1)CCCC3,CI,0
CC(=O)Nc1c(C#N)c2n(c1C(=O)O)CCC2,CI,0
N#Cc1c(N=CC=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0
N#Cc1c(N=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0
N#Cc1c(N=C2CCCCC2)c(C(=O)Nc2ccccc2)n2c1CCCC2,CI,0
N#Cc1c(N=C2CCCCC2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0
N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccccc2)n2c1CCCC2,CI,0
COC(=O)C(C)NC(=O)C(NS(=O)(=O)c1nc2ccccc2s1)c1ccccc1,CI,0
O=C1c2ccccc2CC12Cc1ccc3ccccc3c1C2=O,CI,0
O=C1OC(C2Cc3ccc4ccccc4c3C2=O)c2ccccc21,CI,0
COC(=O)c1ccccc1C=C1Cc2ccc3ccccc3c2C1C,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1ccc3ccccc3c1C2=O,CI,0
Cc1ccc2c(c1C)C(=O)C1(C2)Cc2ccc3c(c2C1=O)CCC3,CI,0
Cc1ccc2c(c1C)CC1(Cc3c(ccc4c3CCC4)C1=O)C2=O,CI,0
OC(c1ccco1)C(F)(F)c1nc2ccccc2o1,CI,0
OC(c1cccnc1)C(F)(F)c1nc2ccccc2o1,CI,0
OC(c1ccc(-c2ccccc2)cc1)C(F)(F)c1nc2ccccc2o1,CI,0
COc1ccc2c(=O)c3c([nH]c2c1)OCC3=O,CI,0
COc1ccc2c(=O)c3ccoc3[nH]c2c1,CI,0
COC(=O)C12CCC(C(=O)OC)(Cc3c(c4ccccc4n3S(=O)(=O)c3ccccc3)C1)C2=O,CI,0
Nc1nc(O)c2c(n1)NC(=O)CC2c1ccccc1,CI,0
CC1(C)C(=O)C(C)(C)C12SSC1(S2)C(C)(C)C(=O)C1(C)C,CI,0
COC(=O)CN1SC2(SC13C(C)(C)C(=O)C3(C)C)C(C)(C)C(=O)C2(C)C,CI,0
CSc1scc2c1C(=NNC(N)=O)CCC2,CI,0
COC(=O)C=Cc1cnc2c(c1)oc(=O)n2CCc1ccccn1,CI,0
COC(=O)C=Cc1cnc2c(c1)oc(=O)n2C,CI,0
COP1(=O)OCc2cnccc2O1,CI,0
c1cc2cc(c1)CN1CCNCCN(CCNCC1)Cc1cccc(c1)CN1CCNCCN(CCNCC1)C2,CI,0
O=C(O)C(F)(F)F.c1cc(CN2CCNCCNCCNCC2)cc(CN2CCNCCNCCNCC2)c1,CI,0
O=C(CCCNc1nc(-c2ccccc2)cs1)c1cccs1,CI,0
Cc1ccc(SC(C=O)(NC(=O)OCc2ccccc2)C(F)(F)F)cc1,CI,0
Cc1ccc(SCC2(C(F)F)NC(=O)NC2=O)cc1,CI,0
Cc1ccc(S(=O)CC2(C(F)F)NC(=O)NC2=O)cc1,CI,0
Cc1ccc(S(=O)CC(NC(=O)OCc2ccccc2)(Sc2ccccc2)C(F)F)cc1,CI,0
COC(=O)C(NC(=O)OCc1ccccc1)(C(C)S(=O)c1ccc(C)cc1)C(F)(F)F,CI,0
COc1ccc(CC2Cc3ccccc3CCN2)cc1OC.Cl,CI,0
CC1(C)OC2C(O)CN3CCSC3C2O1,CI,0
OCC1C(O)C(O)C2SCCN12,CI,0
OC1CN2CCSC2C(O)C1O,CI,0
CC1(C)OC(C(O)CO)C(C2NCCS2)O1,CI,0
O=C1C(F)=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1n1cc(F)c(=O)[nH]c1=O,CI,0
NC(=O)c1csc(C2(O)COC(CO)C2O)n1,CI,0
COC(OC)C(O)C1OC=CC1n1cnc2c(N)ncnc21,CI,0
CC(=O)OCC1OC(OCCCOP(=O)(OCCC#N)OCC2OC(n3cnc4c(N)ncnc43)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(OCCCOP(=S)(OCCC#N)OCC2OC(n3ccc(=N)[nH]c3=O)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=C1CNc2cc(N3CCOCC3)ccc2N1,CI,0
CN1CCN(c2ccc3c(c2)NCC(=O)N3)CC1,CI,0
CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(OC(=O)c4ccccc4)C3=C3OC(=O)C=C1C32,CI,0
CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(=O)C3=C3OC(=O)C=C1C32,CI,0
C=C(C)C(=O)CCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC.O=S(=O)([O-])C(F)(F)F,CI,0
O=C(Nc1sccc1S(=O)(=O)c1ccccc1)c1cccnc1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCN(CCCNc4ccc5nnn6c7ccccc7c(=O)c4c56)CC3)c2c1.CS(=O)(=O)O,CI,0
Cl.NCCCN1CCN(CCCNc2ccc3nnn4c5ccccc5c(=O)c2c34)CC1,CI,0
CS(=O)(=O)O.O=c1c2ccccc2n2nnc3ccc(NCCCNCCNCCCNc4ccc5nnn6c7ccccc7c(=O)c4c56)c1c32,CI,0
CS(=O)(=O)O.O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1,CI,0
CN(CCCNc1ccc2ncn3c4ccccc4c(=O)c1c23)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O.CS(=O)(=O)O,CI,0
Cl.NCCCN1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)CCCNc3ccc4ncn5c6ccccc6c(=O)c3c45)c2c1.Cl,CI,0
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6ncn7c8ccccc8c(=O)c5c67)c4c(C)c3c2c1.CS(=O)(=O)O,CI,0
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)c4c(C)c3c2c1.CS(=O)(=O)O,CI,0
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6nnn7c8ccccc8c(=O)c5c67)c4c(C)c3c2c1.CS(=O)(=O)O,CI,0
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNC(=O)NCCCN(C)CCCNc5nccc6c(C)c7[nH]c8ccc(OC)cc8c7c(C)c56)c4c(C)c3c2c1.O=C(O)C(F)(F)F,CI,0
CC(=O)O.Nc1nc(N)c(C2=CCN(Cc3ccccc3)CC2)c(O)n1,CI,0
C[Si](C)(C)OC1c2[nH]c3ccccc3c2CN2C(=O)CCC12,CI,0
COc1cc(C2C3C=CC=C4CC=CC(=C43)C3CCC(=O)N32)cc(OC)c1OC,CI,0
COc1cc(C(c2cccc3ccccc23)N2C(=O)CCC2C(=O)NCc2ccccc2)cc(OC)c1OC,CI,0
CCOC(=O)C(C)c1nc2cc(N3CCN(C)CC3)c(F)cc2nc1O,CI,0
COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CC2(O)C=CCC2)cc1,CI,0
O=C(CCCCC1CCSS1)N(C(=O)NC1CCCCC1)C1CCCCC1,CI,0
CCOC(=O)n1c2ccccc2c2c(O)c(OC)c3c(c21)C(=O)NC3=O,CI,0
CCOC(=O)N1c2c(c3ccccc3n2C(=O)OCC)C(=O)C(OC)N1C(=O)OCC,CI,0
CCN(CC)P1(=S)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1,CI,0
CCOC(=O)C1(NC(=O)OC(C)(C)C)CCc2[nH]oc(=O)c2C1,CI,0
CCOC(=O)C1(N)CCc2[nH][nH]c(=O)c2C1,CI,0
c1cc(CSP234N5CCN2CCN3CCN4CC5)ccc1CSP123N4CCN1CCN2CCN3CC4,CI,0
c1cc(CSP234N5CCN2CCN3CCN4CC5)cc(CSP234N5CCN2CCN3CCN4CC5)c1,CI,0
c1ccc(CSP234N5CCN2CCN3CCN4CC5)c(CSP234N5CCN2CCN3CCN4CC5)c1,CI,0
N=c1ccn(C2CC(O)C(COP(=O)(S)OC3CC(n4ccc(=N)[nH]c4=O)OC3CO)O2)c(=O)[nH]1,CI,0
OCc1cc2c(ccc3sc4ccc5sc6ccc7ncccc7c6c5c4c32)s1,CI,0
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2n1-c1ccc3ccccc3c1SC2,CI,0
O=c1n(CCCN2CCOCC2)nc2n1-c1ccc3ccccc3c1SC2,CI,0
CCC(c1nc2ccccc2c(=O)n1NC(=O)C(C)(C)C)C1(O)CCCCC1,CI,0
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1c[nH]nc1-c1ccccc1,CI,0
CC1=C(C(N)=O)C(c2ccncc2)C(C#N)=C2SCC(=O)N12,CI,0
CCC12CC(c3ccccc3)C(C(=O)N1)C(=O)N2,CI,0
Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)OC1CC(C)CCC1C(C)C,CI,0
Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)OC12CC3CC(CC(C3)C1)C2,CI,0
CC1=C(C(=O)OC23CC4CC(CC(C4)C2)C3)C(c2ccccc2OC(F)F)C(C(=O)OC23CC4CC(CC(C4)C2)C3)=C(C)N1,CI,0
CCCCCCCCC[n+]1cccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c1.[Br-],CI,0
C1=NCCNCCNCCN=Cc2ccccc2OCc2cccc(n2)COc2ccccc21,CI,0
Cc1ccc(S(=O)(=O)c2c(O)c3ccccc3n(C)c2=O)cc1,CI,0
CCOC(=O)C1(C(=O)OCC)C=C(c2ccccc2)N(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1=S,CI,0
OCC1OC(c2cccc3cc(O)c(O)cc23)CC1O,CI,0
C1OCN2c3nonc3N3COCN4c5nonc5N1C2C43,CI,0
Sc1ncc(-c2cncc(-c3cnc(S)nc3)n2)cn1,CI,0
Nc1nnc(-c2ccco2)c(-c2ccco2)n1,CI,0
COc1ccc(-n2c(SC(CN3CCOCC3)CN3CCCC3=O)nc3ccccc3c2=O)cc1.Cl,CI,0
CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O,CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N5CCN[Cr]567([O+]=C(C)[CH-]C(C)=[O+]6)[O+]=C(C)[CH-]C(C)=[O+]7)cc43)[nH]c2c(OC)c1OC.[O-][Cl+3]([O-])([O-])[O-],CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC.Cl,CI,0
COc1ccc2[nH]c(S(=O)(=O)N3CC(CCl)c4ccc(N)cc43)cc2c1,CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+]4(Cc5ccc([N+](=O)[O-])cc5)CCOCC4)c3nc12.Cl.[Cl-],CI,0
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC,CI,0
C=C1C(O)OC2OC3(C)CCC4C(C)CCC1C24OO3,CI,0
CC1=COC2OC3(C)CCC4C(C)CCC1C24O3,CI,0
CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32O4,CI,0
CC1=COC2OC3(C)CCC4C(C)CCC1C24OO3,CI,0
Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2n1-c1ccccc1,CI,0
Cl.O=C(OCCN1CCCC1)c1cc2ccccc2n1-c1ccccc1,CI,0
Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2n1Cc1ccccc1,CI,0
Cl.O=C(OCCN1CCCC1)c1cc2ccccc2n1Cc1ccccc1,CI,0
Cl.O=C(OCCN1CCNCC1)c1cc2ccccc2[nH]1,CI,0
Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2[nH]1,CI,0
Cl.O=C(OCCN1CCCC1)c1cc2ccccc2[nH]1,CI,0
C[Si](C)(C)C1=C2C(=O)c3ccccc3C(=O)C2=C([Si](C)(C)C)C2CCCCC12,CI,0
CC(C)(O)c1cc2c(cc1C(C)(C)O)-c1ccccc1-2,CI,0
Brc1c(C#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc(C#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br,CI,0
Brc1c(C#CCC2CCCCC2)ccc(C#CCC2CCCCC2)c1Br,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccccn3)C2=O)cc1,CI,0
Cc1c(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C,CI,0
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(NC(=O)c3ccncc3)C2=O)cc1,CI,0
OC1OC(c2ccc[nH]2)C(F)(F)C(F)(F)C1(F)F,CI,0
OC1OC(c2ccco2)C(F)(F)C(F)(F)C1(F)F,CI,0
CC(=S)NC1C(Oc2ccc3c(C)cc(=O)oc3c2)OC(CO)C(O)C1O,CI,0
CCOC(=O)c1c(C)nc2c3ccccc3c(C#N)c(C)n12,CI,0
[Cl-].c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Co-4]412([n+]3cccc4ccc5ccc[n+]1c5c43)[n+]1cccc3ccc4ccc[n+]2c4c31,CI,0
O=C1C[N+]23CC(=O)[OH+][Zr]2456([OH+]1)([OH+]C(=O)C3)[OH+]C(=O)C[N+]4(CC(=O)[OH+]5)CC(=O)[OH+]6.[K+],CI,0
O=C1OCCCC2OC(COCc3ccccc3)CC12,CI,0
O=C1CCCC2OC(COCc3ccccc3)CC12,CI,0
O=C(OCC1CC2C(=O)OCCCC2O1)c1ccccc1,CI,0
COCOCC1CCCN1CN1CCCC1COCOC,CI,0
O=C1C=CCC2OC(COC(=O)Cc3ccccc3)CC2O1,CI,0
O=C1CCCC2OC(COC(=O)c3ccccc3)CC2O1,CI,0
O=C(OCC1CC2C(=O)CCCC2O1)c1ccccc1,CI,0
CC1=CCC(CC(C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC1,CI,0
CC(NC(=O)C1CC1(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12,CI,0
CC(NC(=O)C1CC1(C)CO)c1cccc2ccccc12,CI,0
CC12c3c4cc(NC(=O)C(=O)NCc5ccc(-c6ccccn6)nc5)cc3Oc3cc(NC(=O)C(=O)NCc5ccc(-c6ccccn6)nc5)cc(c31)OC1C=C(NC(=O)C(=O)NCc3ccc(-c5ccccn5)nc3)C=C(O4)C12,CI,0
Cc1ccc(S(=O)(=O)N(CCN)c2cc3c4c(c2)Oc2cccc5c2C4c2c(cccc2O3)O5)cc1,CI,0
Cc1ccc(S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c2cc3c4c(c2)Oc2cccc5c2C4(C)c2c(cccc2O3)O5)cc1,CI,0
Cc1ccc(S(=O)(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cc3c4c(c2)Oc2cc(N(CCN5C(=O)c6ccccc6C5=O)S(=O)(=O)c5ccc(C)cc5)cc5c2C4(C)c2c(cc(N(CCN4C(=O)c6ccccc6C4=O)S(=O)(=O)c4ccc(C)cc4)cc2O5)O3)cc1,CI,0
Cc1c2cccc-2c(OCCO)cc2c1[nH]c1ccccc12,CI,0
O=C1COc2cccnc2N1CCCCO,CI,0
O=C(NNC(=O)c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1,CI,0
O=C(NNC(=O)c1ccccc1O)c1cccs1,CI,0
O=C(NNC(=O)c1ccccc1O)c1ccco1,CI,0
O=C(NNC(=O)c1ccco1)c1ccco1,CI,0
S=C(NCCc1ccccn1)c1nc[nH]c1C(=S)NCCc1ccccn1,CI,0
Cn1c2c(c3ccccc31)CC(=O)N1CCCCC1C21OCCO1,CI,0
O=C1Cc2c([nH]c3ccccc23)C2(CC3CCCCN13)OCCO2,CI,0
COc1ccc2[nH]c3c(c2c1)CC(=S)N1CCCC(CC3=O)C1,CI,0
COc1ccc2[nH]c3c(c2c1)CC(=O)N1CCCC(C1)CC31OCCCO1,CI,0
Cn1c2c(c3ccccc31)CC(=O)N1CCCC(C1)CC21OCCO1,CI,0
COc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1,CI,0
COc1cc2[nH]c(=O)[nH]c2c2c(C)c[nH]c12,CI,0
CN1CCCC1=C1C(=O)c2cccn2C1=O,CI,0
CCOC(=O)c1ccc2c(=O)n3c(C(=O)OCC)ccc3c(=O)n12,CI,0
CCOC(=O)C=C(C=CCOC1CCCCO1)c1ccccc1,CI,0
O=C(OC1=CCN(Br)C1=O)C1=C(O)C(=O)N(Br)C1,CI,0
CC(=O)c1cccn1C=C(OC(=O)OC(C)(C)C)c1ccc[nH]1,CI,0
COC1CCN(N(C)C)O1,CI,0
COC1(OC)CCN(Cc2ccccc2)C1=O,CI,0
CCOC(=O)c1ccc(C(=O)n2ccnc2)[nH]1,CI,0
CCOC(=O)c1cc(-c2ccn(C(C)=O)c2)c(-c2cc(C)co2)[nH]1,CM,1
CCOC(=O)c1cc2c3ccn(Cc4ccccc4)c3c3c(C)noc3c2[nH]1,CM,1
Cc1c(Cc2ccccc2)n(COCCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC3C(COC(=O)N3O)O2)c(=O)[nH]c1=O,CM,1
Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CN(OC(=O)Oc3ccccc3)C(=O)Oc3ccccc3)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CCN(c3ccccc3)O2)c(=O)[nH]c1=O,CI,0
Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CI,0
O=C(Nc1ccccc1)N(CCN(Cc1ccccc1)C(=O)Nc1ccccc1)CCN(Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
O=C(Nc1ccccc1)N(CCCCN(Cc1ccccc1)C(=O)Nc1ccccc1)Cc1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N1CCCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CCCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CCC1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N1CCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CC1,CI,0
CCN(CCCN(CC)C(=O)NC(Cc1ccccc1)C(=O)NC)C(=O)NC(Cc1ccccc1)C(=O)NC,CI,0
N#CCCN(CCNc1ccccc1)C(=O)Nc1ccc(NC(=O)N(CCC#N)CCNc2ccccc2)cc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCCCN(CCC#N)C(=O)NC(Cc1ccccc1)C(=O)OC,CI,0
N#CCCN(CCCCN(CCC#N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)NCCN(CCNC(=O)NC(Cc1ccccc1)C(=O)OC)C(=O)NC(Cc1ccccc1)C(=O)OC,CI,0
CC(NC(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2C(=O)O)n1)c1ccccc1,CI,0
N#CCCN(CCCN(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1,CI,0
CNC(=O)N(Cc1ccccc1)CC1CCCN1C(C)=O,CI,0
Clc1cc(Br)c2c3c(c(Br)cc(Cl)c13)C(Br)=C2Br,CI,0
O=S1(=O)Cc2ccc3c4c2-c2c(ccc5ccc(c-4c25)CS(=O)(=O)C3)C1,CI,0
CC1=C2c3c(C)ccc4ccc(C)c(c34)C2(O)C(C)C1=O,CI,0
CC1(C)CC23CC(C)(C)c4cccc(c42)OCc2ccc4ccc5ccc(nc5c4n2)COc2cccc1c23,CI,0
Cc1cccc(-c2cccc(COCc3cccc(-c4cccc(CO)n4)n3)n2)n1,CI,0
O=C(C1=CCC2(CC1)OCCO2)N(Cc1ccccc1)c1ccccc1I,CI,0
COC(=O)N1CC2(C=CC3(CC2)OCCO3)c2ccccc21,CI,0
C1=CC2(CCC13OCCO3)COc1ccccc12,CI,0
CN1C(=O)C2(C=CC3(CC2)OCCO3)c2ccccc21,CI,0
O=C1c2cc(-c3ccccc3)cnc2S(=O)(=O)N1c1ccc(Br)cc1,CI,0
CCOC(=O)Nc1nn(C)c(=NCc2ccccc2)s1,CI,0
COC(=O)C=C1SC2(OC1=Nc1ccccc1)C1CC3CC(C1)CC2C3,CI,0
CC(C)(Oc1ccc(C2CC2Cl)cc1)C(=O)O,CI,0
O=c1c(Sc2c(SCSc3cnc4ccccc4c3Sc3c[nH]c4ccccc4c3=O)cnc3ccccc23)c[nH]c2ccccc12,CI,0
COc1c(Sc2c(SCSc3cnc4ccccc4c3Sc3cnc4ccccc4c3OC)cnc3ccccc23)cnc2ccccc12,CI,0
CN(C)CCCNc1nnc(NCCCN(C)C)c2c(=O)c3sccc3[nH]c12.Cl,CI,0
COC(=O)c1cc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(SC)c1C(=O)OC,CI,0
Cc1cc2[n-][n+]3ncc(-c4ccccc4)n3c2cc1[N+](=O)[O-],CI,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(-n4sc5ccccc5c4=O)cc3)cc2)cc1,CM,1
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4ccccc4SSc4ccccc4C(=O)Nc4ccc(S(=O)(=O)c5ccc(NC(=O)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CM,1
O=C(Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1,CM,1
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4ccccc4SSc4ccccc4C(=O)Nc4ccc(S(=O)(=O)c5ccc(NS(=O)(=O)c6ccc(NC(C)=O)cc6)cc5)cc4)cc3)cc2)cc1,CM,1
OCCCCCCCCCCCOc1ccc(C2OCC3(CC=CCC3)CO2)cc1,CI,0
OCCCCCCCCCCCOc1ccc(C2OCC3(CO2)COC(c2ccc(OCCCCCCCCCCCO)cc2)OC3)cc1,CI,0
CC1(C)C2Cc3cc4nc5ccccn5c4cc3C1C2,CI,0
CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCO)c2n1,CI,0
CCOc1nc2sc3c(c2c(=O)n1CCSSCCn1c(OCC)nc2sc4c(c2c1=O)CCCC4)CCCC3,CI,0
CCOC(=O)c1cc(Br)c(-c2cc(C)co2)[nH]1,CI,0
Cc1cc(-c2ccc(C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)on1,CI,0
CCOC(=O)c1cc(C2CCN(CC(C)CC)C2=S)c(-c2cc(C)no2)[nH]1,CI,0
CCOC(=O)c1cc2c([nH]1)C(=O)CSC1=C2CCN1Cc1ccccc1,CI,0
O=C1CNc2cc(N3CCCCC3)ccc2N1,CI,0
O=C1COc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1,CI,0
COc1ccc(C(=O)N2CCN(c3ccc4[nH]c(=O)oc4c3)CC2)cc1,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccnc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncccc4C(=O)O)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)nc4)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N4C(=O)c5ccccc5C4=O)cn3C)cn2C)cn1C,CM,1
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccccc4C(=O)O)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cncc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)n4)cn3C)cn2C)cn1C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)cc4)cn3C)cn2C)cn1C,CI,0
N#CC(c1ccccn1)c1ncccc1[N+](=O)[O-],CI,0
N=c1[nH]c2c(C(=O)O)c3ccc([N+](=O)[O-])cc3c(=O)n2c2ccccc12,CI,0
Cn1c2ccccc2n2c3ncccc3c(=S)c(C#N)c12,CI,0
Cn1c2ccccc2n2c3ncccc3c(=NCCCC(=O)O)c(C#N)c12,CI,0
COc1cccc(CCNc2c(C#N)c3n(c4ccccc4[n+]3C)c3ncccc23)c1.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
C[n+]1c2ccccc2n2c3ccccc3c(NCCCn3ccnc3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
CSc1c(C#N)c2n(c3ccccc3[n+]2C)c2ncccc12.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
Cc1ccc(S(=O)(=O)O)cc1.Cn1c2ccccc2n2c3ccccc3c3n[nH]c(=N)c-3c12,CI,0
N#CC(c1nc2ccccc2s1)c1ncccc1[N+](=O)[O-],CI,0
COc1ccc(Nc2c(C#N)c3n(c4ccccc24)c2ccccc2[n+]3C)cc1OC.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
C[n+]1c2ccccc2n2c3ccccc3c(NCCCN3CCOCC3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
C[n+]1c2ccccc2n2c3ccccc3c(NCc3ccco3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
C[n+]1c2ccccc2n2c3ccccc3c(NCCc3ccccn3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
CC(NC(=O)Cn1c(Cl)nc2ccccc21)c1ccccc1,CI,0
Nc1c(-c2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1,CI,0
COc1ccc(-c2c(N)n(-c3nc4ccccc4s3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1,CI,0
O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl,CI,0
COC(=O)c1cc(C(=C2CC2)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC,CI,0
Cc1cc(OCC(=O)NN=CC(Br)=Cc2ccccc2)nc(SCC(=O)NN=CC(Br)=Cc2ccccc2)n1,CI,0
c1ccc2c(c1)C1=Nc3ccc(cc3)-c3nc4cc(ccc4o3)NC3=NC(=Nc4ccc5nc(oc5c4)-c4ccc(cc4)NC2=N1)c1ccccc13,CI,0
O=S(=O)(c1ccc(NC2=NC(c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1)c1ccc(NC2=NC(c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1,CI,0
Nc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(N)cc6)oc5c4)cc3o2)cc1,CI,0
Nc1ccc(S2(c3ccc(N)cc3)C=C(c3ccccc3)C(c3ccccc3)=C2)cc1,CI,0
CCOCc1c(C)cc(C)c(C2C(C(=O)c3ccccc3)N3c4ccccc4C=CC3C2(C#N)C(=O)OCC)c1C,CI,0
c1cc2nnnn2nc1N1CCCC1,CI,0
O=C(NC(=S)NC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CI,0
Oc1ccc(N=C2CCC(=C(c3ccccc3)c3ccc(Nc4ccc(O)cc4)cc3)CC2)cc1,CI,0
CC1=CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C,CI,0
O=C1CSc2nc3ccccc3n2C=NN1,CI,0
Clc1cc(C(c2cc(Cl)sc2Cl)c2cc(Cl)sc2Cl)c(Cl)s1,CI,0
CCSc1nc(=S)n(-c2ccccc2)c(C)c1C(C)=O,CI,0
CC(C)(C)N1NC1C1NN1C(C)(C)C,CI,0
CCCCCNc1no[nH]c1=N,CI,0
[O-][N+](=Nc1ncc(-c2ccccc2)cn1)c1ncc(-c2ccccc2)cn1,CI,0
NN=c1nc2[nH]o[nH]c-2nc1=NN,CI,0
O=C1c2n[nH]nc2C(=O)c2n[nH]nc21,CI,0
Cc1nc2c(sc3nc4c(cc32)CCC4)c(=O)o1,CI,0
Cc1cc(-c2no[n+]([O-])c2-c2cc(C)sc2S(C)(=O)=O)c(S(C)(=O)=O)s1,CI,0
O=S(=O)(N=[Se](=O)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
CNC(=O)C1(C#N)C(c2ccccc2)C(C#N)(C(=O)NC)C1c1ccccc1,CI,0
O=C(ON=c1ccc(=O)c(=NOC(=O)c2ccccc2)c1=O)c1ccccc1,CI,0
N1=C2NONC2=NC2N=C3NONC3=NC12,CI,0
O=P1(N2CCOCC2)OCCO1,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC2CCCCCC1,CI,0
COC(=O)CCC1=CCC2(SC)C(=O)Nc3cccc1c32,CI,0
CSC1C(=O)Nc2ccc3ccccc3c21,CI,0
CC1N(O)CC2OC(n3ccc(=O)[nH]c3=O)C(O)C21O.CC1N(O)CC2OC(n3ccc(=O)[nH]c3=O)C(O)C21O,CI,0
CCOC(=O)c1c[nH]c(C(=O)C=[N+]=[N-])c1C1CCN(CC)C1=S,CI,0
CC(=Cc1ccccn1)c1ccccn1,CI,0
c1ccc2c(c1)SC1=C(SC(=C3SC4=C(S3)Sc3ccccc3S4)S1)S2,CI,0
C1CC2=C(C1)[Se]C(=C1Sc3nsnc3S1)[Se]2,CI,0
c1ccc(Cc2cccc3cc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1,CI,0
c1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)cc3ccccc32)cc1,CI,0
c1ccc(-c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1,CI,0
O=C1OCC2C(O)CCCCCN12,CI,0
O=C1NC(C(CCCCCO)OC(=O)c2ccccc2)CO1,CI,0
CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1,CI,0
CCOC(=O)C1(C(=O)OCC)CC(=O)C2(C1)OCCC1OC(=O)CC12,CI,0
CCOC(=O)C1(C(=O)OCC)CC23OCCC(=O)C2C2C(=O)OC(C)(C)OC23C1,CI,0
NC(=S)NN=Cc1cc(CN2CCOCC2)c(N)cn1,CI,0
Cc1ccc(Nc2[c-](C#N)[n+](=O)c3cc(Cl)ccc3[n+]2[O-])cc1,CI,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2,CI,0
Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)NC(c1ccccc1)C(C#N)S2(=O)=O,CI,0
Cc1oc2c(c1C)S(=O)(=O)C(C#N)C(c1ccccc1)N2,CI,0
Cc1oc2c(c1C)S(=O)(=O)C(C#N)=C(c1ccccc1)N2,CI,0
Cc1oc(N)c(S(=O)(=O)c2cc3ccccc3[n+]([O-])c2N)c1C,CI,0
N#CC1=CNc2sccc2S1(=O)=O,CI,0
Cc1c2c(n(Cc3ccccn3)c1C)NN=C(C#N)S2(=O)=O,CI,0
Cc1c2c(n(CC(c3ccccc3)c3ccccc3)c1C)NN=C(C#N)S2(=O)=O,CI,0
COC(=O)C1CCC(=S)N1C(=O)c1ccccc1,CI,0
COC(=O)C1CC=C(SC(=O)c2ccccc2)N1C(=O)c1ccccc1,CI,0
COC(=O)C1CCC(=S)N1C(=O)OCc1ccccc1,CI,0
COC(=O)C1CC(=CN(C)C)C(=S)N1,CI,0
CC=C1CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1=S,CI,0
CCCc1[nH]c2ccccc2c1-c1c(CCC)[nH]c2ccccc12,CI,0
O=S(=O)(c1ccccc1)C1CC(c2nc3ccccc3[nH]2)=NO1,CI,0
COC(C(=O)OCC1C2OC(c3cc4c(cc32)OCO4)C1COC(C)=O)(c1ccccc1)C(F)(F)F,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)NC(C)C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)C(C)C,CI,0
O=C1OCC2C(=O)OCC12,CI,0
O=C1N(Cc2ccccc2)C2CSCC2N1Cc1ccccc1,CI,0
O=S1(=O)CC(NCc2ccccc2)C(NCc2ccccc2)C1,CI,0
CC12CCC(C(=O)O1)C(C)(C)O2,CI,0
CC1(C)OCC(C=CC(O)CC2(C)OCCO2)CO1,CI,0
CC(O)=C1C(=O)CCC1=O,CI,0
CC1(C)OCC=CCO1,CI,0
CC12CCC(C(=O)OC1=O)C(C)(C)O2,CI,0
C=C(C1(O)CC2C(CCC2(OC)OC)C2c3ccccc3OC21)[Si](C)(C)C,CI,0
NC(=O)NN=C1CC2CCCCC2C1,CI,0
COc1cc2c(cc1OC)C1CNC(C2)c2cc(OC)c(OC)cc21,CI,0
O=C(C=Cc1ccc2c(c1)OCO2)NCCc1ccco1,CI,0
Cl.c1ccc(SC(CNCCc2ccco2)c2ccc3c(c2)OCO3)cc1,CI,0
COc1cc2c(cc1OC)CC(=NO)c1cc(OC)c(OC)cc1C=C2,CI,0
COc1cc2c(cc1OC)CC(N=[N+]=[N-])c1cc(OC)c(OC)cc1C=C2,CI,0
CC12OC3(C4OC41)C(C(=O)N1CCOC13C)C2Cl,CI,0
COc1ccc(CC(CO)NC(=O)OCc2ccccc2)cc1Oc1ccc(CC(CO)NC(=O)OCc2ccccc2)cc1,CI,0
CC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)c1ccccc1)C(O)C2O,CI,0
COC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1C(=O)Oc1ccccc1)C1OC12,CI,0
COC(=O)N1CC2C3C4CC(C(c5ccccc5)=C4c4ccccc4)C3C21,CI,0
Cc1c(C=NNC(=S)N2CCCCC2)c(=O)n(-c2ccccc2)n1C,CI,0
CC(=NNC(=S)N1CCN(C(=S)NN=C(C)c2ccccn2)CC1)c1ccccn1,CI,0
S=C(NN=C(C(=NNC(=S)N1CCCCC1)c1ccccn1)c1ccccn1)N1CCCCC1,CI,0
Clc1cc(NN=C(c2ccccc2)c2ccccn2)ncn1,CI,0
CC(=NOc1cc(Cl)ncn1)c1ccccn1,CI,0
CC(=NNc1ncnc2ccccc12)c1ccccn1,CI,0
C=COC(=O)N1C2CCCC(Cl)(C(C)=O)C1CC2,CI,0
COC(=O)C(C)(C)OCc1ccc(C2NC(=O)N(c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1,CI,0
CNc1ncnc2c1nc(NC1CCCC1)n2C1OC(CO)C(O)C1O,CI,0
N#CC1=C(Nc2ccccc2)SC=C(c2ccccc2)N=C1NCc1ccccc1,CI,0
CCCNC1=NC(C)=CSC(Nc2ccccc2)=C1C#N,CI,0
CC1(C)OC(CO)C(C(O)C(O)C2SCCCS2)O1,CI,0
CC1(C)OC2COC(C)(C)OC(C3SCCCS3)C2O1,CI,0
CCOC1=NC(O)c2cccn2-c2sccc21,CI,0
COc1ccc(CCN(C)C(=O)CC(C#N)(c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC,CI,0
O=C1CC(Sc2ccccc2)C2(OCCO2)C2ON3CCCCC3C12,CI,0
O=C1CC(Sc2ccccc2)C2(OCCO2)C(Sc2ccccc2)C1,CI,0
CC1OC(=O)C2N=NN(Cc3ccccc3)C12,CI,0
O=C1OCCC12CN(Cc1ccccc1)N=N2,CI,0
CC(=O)c1cc2sc3ccccc3c2[nH]1,CI,0
CC(=O)OCC1OC(N2C(=S)NC(C(O)C(O)C(O)CO)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(OCC2OC(N3C(=S)NC(C(O)C(O)C(O)CO)C3O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCCC1(n2c(=O)c3ccc4c(=O)n(C5(CCC)CCCCC5)c5ccc(c2=O)c3c45)CCCCC1,CI,0
CC(C)(C)c1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C(C)(C)C)c4ccc(c1=O)c2c34,CI,0
CCOC(=O)c1oc2cc3c(c4c2c1c1ccccc1n4C)C=CC(C)(C)O3,CI,0
CCOC(=O)C12C3C=CC(CC3)C1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1,CI,0
CCOC(=O)C12C(=C(c3ccccc3)OC3C=CCCC31)C(=O)C(=O)N2c1ccccc1,CI,0
O=S1c2ccccc2SCSc2ccccc21,CI,0
[Cl-].c1ccc2c(c1)SC1Sc3ccccc3[S+]21,CI,0
O=C(O)C(Cc1ccccc1)NCCN1CCCC1C(=O)O,CI,0
COC(=O)C1CCCN1CCN1CCCC1C(=O)OC.Cl,CI,0
CCOC(=O)C=C(OCC)C1C(C(=O)c2ccc(Cl)cc2)C1C(=CC(=O)OCC)OCC,CI,0
CCC(C)C(NC(=O)C(CCCC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O)C(C)CC)C(=O)NCC(N)=O,CI,0
CCC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(N)=O)C(C)CC)C(C)OC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)C,CI,0
CCC(C)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)NC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O)C(C)CC)C(=O)NCC(N)=O,CI,0
CCC(C)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)OC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)CC)C(=O)NCOC#N,CI,0
CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)CN)C(C)O)C(C)O)C(C)C)C(C)O)C(C)C)C(C)O)C(=O)NC(CCCNC(=N)N)C(N)=O,CI,0
CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)NC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(NC(=O)C(CS)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)CN)C(C)O)C(C)O)C(C)C)C(C)O)C(C)C)C(C)O)C(=O)NC(CCCNC(=N)N)C(N)=O,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)c(=O)[nH]c1=O,CA,1
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3CCC(n4cnc5c(O)ncnc54)O3)O2)c(=O)n1,CA,1
O=C1CC(O)C(=O)[OH+][Pt-2]2(NCCN2)[OH+]1,CI,0
CCn1cc[n+]([Pt-2]2([n+]3ccn(CC)c3)[OH+]C(=O)CC(O)C(=O)[OH+]2)c1,CI,0
COc1ccc(C(=C2C=CC=C2)c2ccc(OC)cc2)cc1,CI,0
O=[N+]([O-])C(=CC1CCCCC1)C(=CC1CCCCC1)[N+](=O)[O-],CI,0
O=[N+]([O-])C(=Cc1cccs1)C(=Cc1cccs1)[N+](=O)[O-],CI,0
O=[N+]([O-])C(=Cc1cccc2ccccc12)C(=Cc1cccc2ccccc12)[N+](=O)[O-],CI,0
CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1,CI,0
CC(=C(c1ccccc1)c1ccccc1)N1C(=O)CC(=O)N1C,CI,0
O=C1CC(=O)N(c2ccccc2)N1C(=Cc1ccccc1)c1ccccc1,CI,0
CN1C(=O)CC(=O)N1C(=Cc1ccccc1)c1ccccc1,CI,0
Cc1cn(COCC[Se]c2ccccc2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC([N+](=O)[N-]Nc3ccc([N+](=O)[O-])cc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
CC(C)(C)[Si](C)(C)OC1C(C[N+]([O-])=NNc2ccc([N+](=O)[O-])cc2)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
Cc1cn(C2CC(N(O)C3C4CC5CC(C4)CC3C5)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1c(Cc2ccccc2)n(C(C)OCCN2C(=O)C=CC2=O)c(=O)[nH]c1=O,CI,0
Cc1c(Cc2ccccc2)n(C(C)OCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O,CI,0
Cc1c(Cc2ccccc2)n(C(C)OCCN(OC(=O)Oc2ccccc2)C(=O)Oc2ccccc2)c(=O)[nH]c1=O,CI,0
C=C(c1cccn1S(=O)(=O)c1ccccc1)c1cccn1S(=O)(=O)c1ccccc1,CI,0
O=C(O)c1c(-c2ccccc2)nn2c1ccc1ccccc12,CI,0
O=[N+]([O-])c1ccc(C2=Cc3ccc4ccccc4[n+]3[N-]C2)cc1,CI,0
C=CCN1CCC(O)(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1,CI,0
CCOC(=O)c1ccc(-c2cc(C)[nH]n2)[nH]1,CI,0
O=C1CC(c2ccc[nH]2)=NN1c1ccccc1,CI,0
CCOC(=O)CC1CCN(C(=O)c2ccccc2)C2Cc3c([nH]c4ccccc34)C12C[N+](=O)[O-],CI,0
CCC1CN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C(=O)C1CC(=O)OC,CI,0
NC1=CN2c3ccccc3N(CC(=O)N3CCOCC3)C2C=C1,CI,0
O=[N+]([O-])c1ccc(C(Nc2ccccc2)P(c2ccccc2)c2ccccc2)cc1,CI,0
COC(=O)c1nn2ccc3ccccc3c2c1C(=O)OC,CI,0
O=[N+]([O-])c1cccc(-c2cn3c(n2)Cc2ccccc2C3)c1,CI,0
CSc1c(C#N)c2n(c3ccccc13)c1ccccc1[n+]2C.Cc1ccc(S(=O)(=O)[O-])cc1,CI,0
N#Cc1c(Nc2nc3ccccc3s2)c2ccccc2n2c1nc1ccccc12,CI,0
COc1cccc(N2N=C3c4ccccc4-n4c(nc5ccccc54)C3C2N)c1,CI,0
N#Cc1c(N2CCC(O)C2)c2ccccc2n2c1nc1ccccc12,CI,0
COc1cc(OC)nc(Nc2c(C#N)c3nc4ccccc4n3c3ccccc23)n1,CI,0
Cn1c2ccccc2n2c3ccccc3c(=S)c(C#N)c12,CI,0
N#CC(C(=O)c1ccccc1F)c1nc2ccccc2s1,CI,0
O=C1c2ccc([N+](=O)[O-])cc2N(C(=O)OCc2ccccc2)C(O)C2CCCN12,CI,0
CCCCCCOc1ccc(C(=O)NOCc2ccccc2)cc1,CI,0
COC(c1ccc(O)cc1)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(C)C(O)C(C)CC(C)C)C(C)C(C)C(N)=O)C(C)OC(=O)C(C)N(C)C1=O,CM,1
CC(=O)N1CCOC12N=NC(C)(C)O2,CI,0
Brc1ccc(C(N=NC(=NSc2ccccc2)c2ccc(Br)cc2)=NSc2ccccc2)cc1,CI,0
FC(F)(F)c1ccc(C2=NS(c3ccccc3)=NC(c3ccc(C(F)(F)F)cc3)=NS(c3ccccc3)=N2)cc1,CI,0
OCC1CCC(n2nnc3c(O)nncc32)O1,CI,0
OCC1CCC(n2cnc3c(O)nncc32)O1,CI,0
CC(C)[N+]12CC[N+]3(C(C)C)CC[N+](C(C)C)(CC1)[Mo-3]23(=O)(=O)=O,CI,0
Cn1c(=O)n2c(=O)n(C)c(=O)n2c1=O,CI,0
CON=C1C(n2[nH]c(=O)n(-c3ccccc3)c2=O)C2C=CC1n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0
Cn1c(=O)n2n(c1=O)C1C(=CC2)C2C=CC1n1c(=O)n(C)c(=O)n12,CI,0
O=c1[nH][nH]c(=O)n1Cc1ccccc1,CI,0
O=c1[nH][nH]c(=O)n1Cc1ccccc1Cn1c(=O)[nH][nH]c1=O,CI,0
O=c1[nH][nH]c(=O)n1CCCCCCn1c(=O)[nH][nH]c1=O,CI,0
O=c1[nH][nH]c(=O)n1Cc1cccc(Cn2c(=O)[nH][nH]c2=O)c1,CI,0
O=[N+]([O-])C1(C2([N+](=O)[O-])CCCC2)CCCC1,CI,0
CC(=C(C(N)=O)C(N)=O)C1C=C(c2cccs2)CC(c2ccc(Cl)cc2)=C1O,CI,0
CCOC(=O)C1=C(C)C2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O,CI,0
COc1ccc(C2=CC(C(C)=C(C(N)=O)C(N)=O)C=C(c3ccc(Br)cc3)C2)c(OC)c1,CI,0
CCOC(=O)C(=O)CC(=O)C1=C(c2ccccc2OC)CC(c2cccs2)=CC1=O,CI,0
CC(=C(C(=O)O)C(=O)O)c1cc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1O,CI,0
COC(=O)C1=C(C(=O)NNc2ccccc2)N(c2cccnc2Cl)C(c2ccccc2)=CC1c1ccccc1,CI,0
O=C1OC(=O)C2C1C(c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1,CI,0
COC(=O)C1=C(C(=O)Nc2cccnc2Cl)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=CC1c1ccc(OC)cc1OC,CI,0
O=C1OC(=O)C2=C1C(c1cccs1)C=C(c1cccnc1)N2c1ccncc1,CI,0
COC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=CC1c1ccc(OC)cc1OC,CI,0
COc1ccc(C2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])C3C(=O)OC(=O)C23)c(OC)c1,CI,0
O=[N+]([O-])c1ccc(-n2nnc3ccccc32)nc1,CI,0
c1ccc(CC2(c3cc4ccccc4[nH]3)OCCO2)nc1,CI,0
c1cncc(C2(c3cc4ccccc4[nH]3)COCO2)c1,CI,0
CCOC(=O)C1(Cc2c[nH]c3ccccc23)C(O)CCCN1C(C)=O,CI,0
CCOC(=O)C[n+]1cccc(C2(c3cc4ccccc4[nH]3)OCCO2)c1.[Br-],CI,0
O=C(O)CN1C=C(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)CCC1,CI,0
O=C(CC(c1ccccc1)C(C(=O)c1ccncc1)C(CC(=O)c1ccncc1)c1ccccc1)c1ccncc1,CI,0
O=S(=O)(NC(c1ccccc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1,CI,0
c1ccc(C2(c3cc4ccccc4[nH]3)OCCO2)nc1,CI,0
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccn1,CI,0
CCN(CC)C(=O)Cn1c2ccccc2[n+]2cc(N)ccc12.[Br-],CI,0
Br.NC1=CN2c3ccccc3N(CC(=O)O)C2C=C1,CI,0
C[n+]1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc21.[I-],CI,0
O=C(c1ccccc1)c1c2ccccn2c2cccc[n+]12.[Br-],CI,0
O=[N+]([O-])c1cccnc1-n1cnc2ccccc21,CI,0
CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1cc3ccccc3cc1O2,CI,0
Cc1cc2c(c(C=NCc3ccccc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C,CI,0
O=C1O[IH2](C#Cc2ccccc2)c2ccccc21,CI,0
Cn1cnc2c(sc3nc4ccccc4n32)c1=N,CI,0
N=c1c2sc3nc4ccccc4n3c2ncn1Cc1ccccc1,CI,0
COC(=O)C(Cc1cn(C(C)n2cc(CC(NC(C)=O)C(=O)OC)c3ccccc32)c2ccccc12)NC(C)=O,CI,0
CC(=O)OC1COC(N2c3ccccc3C3CCc4c([nH]c5ccccc45)C32)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(N2c3ccccc3C3CCc4c([nH]c5ccccc45)C32)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1ccc(S(=O)(=O)N2c3ccccc3C3CCc4c([nH]c5ccccc45)C32)cc1,CI,0
COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)[nH]c2ccccc12,CI,0
CN1C(=O)c2c(c3c4ccccc4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4ccccc4c23)C1=O,CI,0
COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C(O)C2O)[nH]c2ccccc12,CI,0
COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12,CI,0
COc1ccc(C2OCC3OC(OCc4ccccc4)C(O)C(O)C3O2)cc1,CI,0
CN1C(=O)C(c2c[nH]c3ccccc23)C(c2c[nH]c3ccccc23)C1=O,CI,0
COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2S(=O)(=O)c2ccc(C)cc2)[nH]c2ccccc12,CI,0
COC(=O)Cc1c(C2=Nc3ccccc3C2(O)CC(=O)OC)[nH]c2ccccc12,CI,0
COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3C(CC(=O)OC)C21,CI,0
O=C(C(=O)n1ccc2ccccc21)n1ccc2ccccc21,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)NCC(=O)NCC(=O)N1,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)NCC(=O)N1,CI,0
COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)N2CCCC2C(=O)N1,CI,0
Cn1c(=O)c2c(nc3n2CC(=O)N3CCCCl)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCCl)n(C)c1=O,CI,0
CSC12C3C(=O)N(C)C(=O)C3C(C)(C(=O)N1C)C(=O)N2c1ccccc1,CI,0
CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1,CI,0
CC1(C)C=Cc2c(cc3oc4ccc5c(c4c(=O)c3c2O)C=CC(C)(C)O5)O1,CI,0
CSC1=C(C#N)C(=S)NC(=N)C1C(=O)Nc1ccc(C)cc1,CI,0
N=c1[nH][nH]c2c(C(=O)Nc3ccc(Cl)cc3)c(N)n(N)c(=O)c12,CI,0
CSc1c(C#N)c(=O)n(N)c2[nH]nc(C)c12,CI,0
CSc1c(C#N)c(=O)n(N)c2c1c(C)nn2-c1ccccc1,CI,0
CSC(Nc1ccccc1)=C1C(=O)N(c2ccccc2)N=C1C,CI,0
CSc1c2c(C)nnc-2[nH]n1-c1ccccc1,CI,0
CSc1n[nH]c2c1c(C)nn2-c1ccccc1,CI,0
CSc1n[nH]c2[nH]nc(C)c12,CI,0
CSc1c(C(N)=S)c(=N)[nH]n1-c1ccccc1,CI,0
CC(=O)c1c(=O)n(-c2ccc(C)cc2)c(O)c2c(=N)[nH][nH]c12,CM,1
O=C(NNC(=O)c1ccccn1)c1ccccn1,CI,0
O=C(NNCC(O)COc1ccccc1)c1ccccc1,CI,0
OCC1CC(F)C(n2cnc3c(NC4CC4)ncnc32)O1,CI,0
CCSc1nc(=Cc2ccco2)c2nnnn12,CI,0
CN(C)c1ccc(C=NNC2=NC(=Cc3ccco3)C(=O)N2)cc1,CI,0
N#Cc1c(-c2ccccc2)cn(C(=O)c2ccccc2)c1N,CI,0
CCSc1nc(=Cc2ccco2)c2nncn12,CI,0
CCSC1=NC(=Cc2ccco2)C(Nc2ccc(C)cc2)=N1,CI,0
CCSC1=NC(=Cc2ccccc2O)C(Nc2ccc(C)cc2)=N1,CI,0
CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1,CI,0
C=C1C(OC(C)=O)CC(=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(C)=O,CI,0
CCCCCCCCCCCCCCCCCCOP1(=O)OCCO1,CI,0
CC(=[N+]1N=C(c2ccncc2)[OH+][Ni-2]12[OH+]C(c1ccncc1)=N[N+]2=C(C)C(F)(F)F)C(F)(F)F,CI,0
CC(=[N+]1N=C(c2ccncc2)[OH+][Cu-3]12[OH+]C(c1ccncc1)=N[N+]2=C(C)C(F)(F)F)C(F)(F)F,CI,0
Cl.N=C(N)SCc1ccc2c(c1)S(=O)(=O)c1ccccc1O2,CI,0
CSC(Cc1ccc2c(c1)Sc1ccccc1O2)=[N+]1CCOCC1.[I-],CI,0
S=C(Cc1ccc2c(c1)Sc1ccccc1O2)N1CCOCC1,CI,0
CN(C)CCn1c(=O)c2ccc(NCCN3CCNCC3)c3c(=O)c4ccccc4n(c1=O)c23.Cl,CI,0
ClC1=NN=C(c2c[nH]c3ccccc23)CC1NCc1ccccc1,CI,0
O=C1NN=C(c2c[nH]c3ccccc23)CC1NCc1ccccc1,CI,0
CC1=NNC(=O)C1C1C=C(c2c[nH]c3ccccc23)OC1=O,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN=C1NCc1ccccc1,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=Nn2c(-c3ccccc3)nnc21,CI,0
CC1=NNC(=O)C1C1(C(=O)O)CC(c2c[nH]c3ccccc23)=NC(=S)N1,CI,0
CC1=NNC(=O)C1C(CC(=NO)c1c[nH]c2ccccc12)C(=O)O,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN(c2ccccc2)C1=O,CI,0
CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NNC1=S,CI,0
CC1=NNC(=O)C1C(CC(=O)c1c[nH]c2ccccc12)C(=O)O,CI,0
CC(C)=CC=C1CS(=O)(=O)C=C1C,CI,0
CC1=CCS(=O)(=O)C1C(O)C1=C(C)CCCC1(C)C,CI,0
Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(Nc4ccccc4)nn(-c4ccc(S(=O)(=O)Nc5ccncn5)cc4)c3C)cc2)no1,CI,0
COc1nc2sc3c(c2c(=O)n1CCCSSCCCn1c(OC)nc2sc4c(c2c1=O)CCCC4)CCCC3,CI,0
O=C(Nc1cc2c(O)nc3ccccc3c2oc1=O)c1cnccn1,CI,0
O=C(Nc1cc2c(=O)oc3ccccc3c2oc1=O)c1cccnc1,CI,0
CNc1nc(=O)c(C#N)c(-c2ccc(C)cc2)s1,CI,0
Cc1ccc(C2=C(C#N)C(=O)N3CCN=C3S2)cc1,CI,0
COc1ccc(N=C(CS(=O)c2ccc(C)cc2)C(F)(F)F)cc1,CI,0
Cc1ccc(S(=O)C=C(NC(=O)OCc2ccccc2)C(F)(F)F)cc1,CI,0
COc1ccc(NC(C(c2ccccc2)S(=O)c2ccc(C)cc2)C(F)(F)F)cc1,CI,0
COc1ccc(NC(CS(=O)c2ccc(C)cc2)C(F)(F)F)cc1,CI,0
COC(=O)C1=C(C(=O)OC)C(Cc2ccccc2)(OO)OC1=O,CI,0
Nc1c2ccccc2nc2c1ccc1ncccc12,CI,0
CN(C(=O)c1cc2c(s1)sc1c(=O)n(C)c3ccccc3c12)c1ccccc1,CI,0
CN(C(=O)c1ccc2c(c1)sc1c(=O)n(C)c3ccccc3c12)c1ccccc1,CI,0
O=C(NCCCN(CCCCN(CCCNC(=O)c1cc(S(=O)(=O)O)cc(O)c1O)C(=O)c1cc(S(=O)(=O)O)cc(O)c1O)C(=O)c1cc(S(=O)(=O)O)cc(O)c1O)c1cc(S(=O)(=O)O)cc(O)c1O,CI,0
Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O,CI,0
Cn1ccc(C(=O)NCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O,CI,0
O=C(c1cccc(OCc2ccccc2)c1OCc1ccccc1)N1CCSC1=S,CI,0
Cn1ccc(C(=O)N2CCSC2=S)c(OCc2ccccc2)c1=O,CI,0
O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O,CI,0
O=C(NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O,CI,0
Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2cccc(=O)n2O)c(O)c1=O,CI,0
O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O,CI,0
Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O,CI,0
O=C(Nc1cc2c(oc1=O)CCCCCC2)c1cnccn1,CI,0
O=C(Nc1cc2c(oc1=O)CCCCC2)c1cnccn1,CI,0
O=C(Nc1cc2c(oc1=O)CCCCC2)c1ccccc1,CI,0
O=C(Nc1cc2c(oc1=O)CCC2)c1cnccn1,CI,0
COc1ccc(-c2cc(NC(=O)c3cnccn3)c(=O)oc2C)cc1,CI,0
Cc1cc(-c2ccco2)oc(=O)c1NC(=O)c1cnccn1,CI,0
Cc1cc(-c2ccccc2)oc(=O)c1NC(=O)c1cnccn1,CI,0
CC1(C)N=[N+]([O-])C1(C)C,CI,0
CC(C)(Cc1ccccc1)N1C(=O)N1C(C)(C)Cc1ccccc1,CI,0
CN=C(n1ccnc1)n1ccnc1,CI,0
COC1c2cccc3cccc(c23)C1n1[nH]c(=O)n(C(C)(C)C)c1=O,CI,0
Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-n2c(=O)n(C)c(=O)n2-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C,CI,0
Cc1c(C)c(C)c(Cn2[nH]c(=O)n(C)c2=O)c(C)c1C,CI,0
CC(C)(C)n1c(=O)[nH]n(C2NN=Cc3cccc4cccc2c34)c1=O,CI,0
CC(C)(C)N1C(=O)[N-][N+](=C(C(c2ccccc2)=[N+]2[N-]C(=O)N(C(C)(C)C)C2=O)c2ccccc2)C1=O,CI,0
Cn1c(=O)n(-c2c3ccccc3c(Cl)c3ccccc23)n(C(C)(C)C)c1=O,CI,0
Cn1c(=O)[nH]n(-c2ccc3ccccc3c2)c1=O,CI,0
Cc1ccc(C)c2c1n1c(=O)n(C)c(=O)n21,CI,0
O=C(Nc1ccccc1)N1N=C(c2ccccc2)C1c1ccccc1,CI,0
Cn1c(=O)n2n(c1=O)Cc1cccc3cccc(c13)C2,CI,0
CC(C)(C)n1c(=O)n2n(c1=O)C1c3cccc4cccc(c34)C2C2c3cccc4cccc(c34)C1n1c(=O)n(C(C)(C)C)c(=O)n12,CI,0
c1ccc(NNN2NC(c3ccccc3)C2c2ccccc2)cc1,CI,0
COc1cc(C2C(C#N)=C(N)OC3=C2CCS(=O)(=O)c2ccc(C)cc23)cc(OC)c1OC,CI,0
COc1ccc(-c2nc(N)c(C#N)c3c2CCSc2ccc(C)cc2-3)cc1OC,CI,0
c1ccc(COCC2C3OCC(C(OCc4ccccc4)C3OCc3ccccc3)N2Cc2ccccc2)cc1,CI,0
COC(=O)NN(C(=O)OC)c1c(-c2ccccc2)nc(SC)n1N,CI,0
CCn1c(SCC(=O)NN=C2SCC(=O)N2c2ccc(C)cc2)nc2ccccc2c1=O,CI,0
Cc1nc(N)nc(N)c1N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1,CI,0
O=C1C(=Cc2c(-c3ccccc3)nn(-c3ccccc3)c2O)C(c2ccccc2)=NN1c1ccccc1,CI,0
FC(F)(Sc1nc2ccccc2[nH]1)c1nc2ccccc2o1,CI,0
Cn1nnnc1SC(F)(F)c1nc2ccccc2o1,CI,0
Cn1cnnc1SC(F)(F)c1nc2ccccc2o1,CI,0
FC(F)(Sc1ccccn1)c1nc2ccccc2o1,CM,1
FC(F)(Sc1ccccc1)c1nc2ccccc2o1,CM,1
CCOc1ccccc1N1CSc2nnc(-c3ccccc3)n2C1,CI,0
O=C1CCCCC(=O)OC2(CCCCC2=O)CC1,CI,0
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])s4)c3nc12.[Cl-],CI,0
CCCC(=O)Nc1cc(C=CC(=O)N2CC(CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1,CI,0
N#Cc1c(=O)c2ccccc2n2ccccc12,CI,0
N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1sc1ccccc12,CI,0
CC(c1ccccc1)n1c(N)c(C#N)c2ccc([N+](=O)[O-])cc2c1=O,CI,0
COc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4n3C)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
CC(c1ccccc1)n1c(N)c(-c2ccccn2)c2ccc([N+](=O)[O-])cc2c1=O,CI,0
CC(c1ccccc1)n1c(N)c(-c2nc3ccccc3s2)c2ccc([N+](=O)[O-])cc2c1=O,CI,0
COc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4s3)c3ccc([N+](=O)[O-])cc3c2=O)c1,CI,0
CC12CCC(=NOCCN3CCCCC3)C=C1CCC1C2CCC2(C)C(O)CCC12.O=C(O)C(=O)O,CI,0
N#Cc1nc(CSCc2ccccc2)oc1N,CI,0
N#Cc1nc(CN2C(=O)c3ccccc3C2=O)oc1N,CI,0
O=c1n(Cc2ccccc2)c(=O)n2c(=O)n(Cc3ccccc3)c(=O)n12,CI,0
CC(C)(C)C1=CC(C)(n2[nH]c(=O)n(-c3ccccc3)c2=O)C=C(C(C)(C)C)C1=O,CI,0
ON=C1CCCCC(=NO)CCCC1,CI,0
CC(C)(CCC(C)(C)N1OC1c1ccccc1)N1OC1c1ccccc1,CI,0
c1ccc(C2ON2CCCN2OC2c2ccccc2)cc1,CI,0
O=C1N(C2CCCCC2)C(=O)N1C1CCCCC1,CI,0
O=c1n(-c2ccccc2)c(=O)n2n1C1Cc3ccccc3C12,CI,0
Nn1c(=O)n2n(c1=O)C1CCC2C1,CI,0
O=c1[nH]c(=O)n2n1C1C=CC2CC1,CI,0
O=c1n(N=S(=O)(c2ccccc2)c2ccccc2)c(=O)n2n1C1C=CC2CC1,CI,0
O=c1n(N=Cc2ccccc2)c(=O)n2n1C1C=CC2CC1,CI,0
COc1ccc(C=NN2CC(=O)N3C4C=CC(CC4)N3C2=O)cc1,CI,0
O=c1[nH][nH]c(=O)n1N=Cc1ccccc1,CI,0
Cn1c(=O)n2n(c1=O)C(C)(C13CC4CC(CC(C4)C1)C3)C13CC4CC(CC1C4)CC23,CI,0
CC1(C23CC4CC(CC(C4)C2)C3)n2c(=O)n(-c3ccccc3)c(=O)n2C1(C)C12CC3CC(CC(C3)C1)C2,CI,0
COc1ccc(-n2c(=O)n(-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1,CI,0
O=c1c2ccccc2nc2[nH]ncn12,CI,0
O=c1nc2[nH]ncn2c2ccccc12,CI,0
CC(=O)OCC1OC(NC(=S)CCSc2nc3ccccc3c(=O)n2-c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(NC(=S)Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(NC(=S)Nn2c(-c3ccccc3)nc3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1cc(C)n(-c2nc(O)c3ccccc3n2)n1,CI,0
O=c1c2ccccc2nc2[nH][nH]c(=S)n12,CI,0
COC(=O)C1Cc2c(OC)ccc(OC)c2CC(C(=O)OC)C1=O,CI,0
CC1C(c2ccccc2)O[Si](C(C)(C)C)(C(C)(C)C)C1C,CI,0
CC1C(N2CCCC2)O[Si](C(C)(C)C)(C(C)(C)C)C1C,CI,0
COC(=O)C1=C(OC)C(=P2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC,CI,0
c1ccc(C2=C(c3ccccc3)P(c3ccccc3)C2)cc1,CI,0
Cc1[nH]c2ncn(N)c(=N)c2c1Cc1ccccc1,CI,0
N=c1c2c(-c3ccccc3)c[nH]c2ncn1N,CI,0
CN(C)c1ccc(C=NNC(=O)c2ccccc2NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NN2C(=O)CSC2c2ccc(N(C)C)cc2)cc1,CI,0
CCOC(=O)C=C1CC(NC(=O)OCc2ccccc2)C(=O)N1CC(=O)OCC,CI,0
COC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1,CI,0
COC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OCc1ccccc1,CI,0
COC(=O)C1C=CCN1S(=O)(=O)c1ccc(C)cc1,CI,0
COC(=O)C1CC([Se]c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1,CI,0
COC(=O)C1CC([Se]c2ccccc2)CN1C(=O)OCc1ccccc1,CI,0
COc1ccc(C2NC(N)=C(C#N)C3=C2C(C)CCC3)cc1OC,CI,0
COc1ccc(C=C2CCC(C)C3C2=NN(c2ccccc2)C3c2ccc(OC)c(OC)c2)cc1OC,CI,0
COc1cc(C=C2CCC(C)C3C2=NN(C(C)=O)C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
N#Cc1nc(-c2ccsc2)oc1N,CI,0
N#Cc1nc(Cc2cccs2)oc1N,CI,0
N#Cc1nc(C=Cc2cccs2)oc1N,CI,0
N#Cc1nc(-c2cnccn2)oc1N,CI,0
N#Cc1nc(C(=O)c2ccccc2)oc1N,CI,0
N#Cc1nc(C2SCCCS2)oc1N,CI,0
N#Cc1nc(C2CCC(=O)O2)oc1N,CI,0
O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2s1,CM,1
O=c1[nH]c2ccc(CC(=S)N3CCCCC3)cc2s1,CI,0
O=c1[nH]c2ccc(CC(=S)N3CCOCC3)cc2s1,CI,0
Cn1c(=O)sc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21,CI,0
Cn1c(=O)sc2cc(C(=S)N3CCN(c4ccccc4)CC3)ccc21,CM,1
Cn1c(=O)sc2cc(C(=S)N3CCCCC3)ccc21,CI,0
Cn1c(=O)oc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21,CI,0
Cn1c(=O)sc2cc(C(=S)N3CCOCC3)ccc21,CI,0
Cn1c(=O)oc2cc(C(=S)N3CCCCC3)ccc21,CI,0
O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1,CI,0
O=C(CN1CCCCC1)c1ccc2[nH]c(=O)oc2c1,CI,0
O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCCC1,CI,0
O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2o1,CI,0
O=c1[nH]c2ccc(CC(=S)N3CCOCC3)cc2o1,CI,0
O=C(CN1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1,CI,0
O=C(Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1,CI,0
O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCOCC1,CI,0
O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1,CI,0
O=C(Cn1c(=O)oc2ccccc21)N(c1ccccc1)c1ccccc1,CI,0
Fc1ccc(C(=NCc2ccccc2)N2CCOCC2)cc1,CI,0
CCCCN=C(c1ccccc1)N1CCOCC1,CI,0
O=c1oc2ccccc2n1CCCn1c(=O)oc2ccccc21,CI,0
S=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1,CI,0
S=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1,CI,0
S=C(c1c[nH]c2ccccc12)N1CCOCC1,CI,0
S=C(c1c[nH]c2ccccc12)N1CCCCC1,CI,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12,CI,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12,CI,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12,CI,0
O=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1,CI,0
S=C(NC1=NCC(CN2CCN(c3ccccc3)CC2)O1)Nc1ccccc1,CI,0
N=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)CCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CI,0
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2[N+](=O)[O-])cc1,CM,1
CSc1n[n+](C)cc(N)c1N.[I-],CI,0
Cc1nc2c(=O)n(C)ncc2[nH]1,CI,0
O=[N+]([O-])c1ccc(CSc2nn(Cc3ccc([N+](=O)[O-])cc3)cc3ncnc2-3)cc1,CI,0
Cn1cnc([N+](=O)[O-])c1Sc1nncc2[nH]cnc12,CI,0
O=[N+]([O-])c1ccc(CSc2nncc3nc[nH]c23)cc1,CI,0
c1ccc(CNc2nncc3[nH]cnc23)cc1,CI,0
CN1CCN(c2c(Cl)cc(Cl)c3[nH]c4ccccc4c(=O)c23)CC1,CI,0
O=c1c2ccccc2[nH]c2c(Cl)cc(Cl)c(N3CCCCC3)c12,CI,0
O=c1c2ccccc2[nH]c2c(Cl)cc(Cl)c(NC3CCCCC3)c12,CI,0
O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc12,CI,0
O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cccc12,CI,0
CC(=O)C(=NNc1ccc(Cl)cc1)C(C)=Nc1ccc(C)cc1,CI,0
O=S(=O)(Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1,CM,1
Cn1c(=NS(=O)(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc21,CI,0
CCOC(=O)C1C(c2ccccc2)N(C)OC1(c1ccccc1)C(F)(F)F,CI,0
COc1cc(C2=C(C)C3CN(CC=C3c3ccc(Cl)cc3)C2)c(S(=O)(=O)O)cc1OC,CI,0
CCOC(=O)c1c(C)nc2c(c1-c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)c1ccccc1-2,CI,0
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1cn(-c2ccccc2)nc1-c1ccccc1,CI,0
O=C1c2cccnc2S(=O)N1Cc1ccccc1,CM,1
COc1cc(C=CC(=O)OCC(Br)C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0
CCCN1CCN[Cr]123([O+]=C(C)[CH-]C(C)=[O+]2)[O+]=C(C)[CH-]C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-],CI,0
O=C(c1ccccc1)c1cc2c(nc1O)CCCCCC2,CI,0
c1ccc2c(c1)Cc1cn3ncnc3nc1-2,CI,0
N#Cc1c2c(cn3c1nc1ccccc13)CCCCC2,CI,0
c1ccc2c(c1)Cc1cn3c(nc1-2)nc1ccccc13,CI,0
N#Cc1c2c(cn3c1nc1ccccc13)Cc1ccccc1-2,CI,0
c1ccc2c(c1)nc1nc3c(cn12)CCCCC3,CI,0
c1nc2nc3c(cn2n1)CCCC3,CI,0
c1nc2nc3c(cn2n1)CCCCC3,CI,0
c1ccc2c(c1)nc1nc3c(cn12)CCCC3,CI,0
CC1=[N+]2N=C(c3ccccc3)[OH+][Ni-4]234(O)[OH+]C(c2ccccc2)=N[N+]3=C(C)c2cccc1[n+]24,CI,0
CC1=[N+]2N=C(c3ccccc3)[OH+][Cu-5]234(O)[OH+]C(c2ccccc2)=N[N+]3=C(C)c2cccc1[n+]24,CI,0
CC1=[N+]2N=C(c3ccncc3)[OH+][Cu-5]234(O)[OH+]C(c2ccncc2)=N[N+]3=C(C)c2cccc1[n+]24,CI,0
c1cc(C2=NN[Ni-2]3(NN=C(c4ccncc4)[OH+]3)[OH+]2)ccn1,CI,0
O=C(NN=Cc1ccc[nH]1)c1ccncc1,CI,0
O=C(NN=Cc1ccncc1)c1ccncc1,CI,0
O=C(NN=Cc1cccnc1)c1ccncc1,CI,0
O=C(NN=Cc1ccccn1)c1ccncc1,CI,0
O=C(NN1C(=O)CSC1c1ccco1)c1ccncc1,CI,0
Cc1ccc(C2SCC(=O)N2NC(=O)c2ccncc2)s1,CI,0
Cl.N=C(C=Cc1ccc(-c2cn3cc(C=CC(=N)N4CCOCC4)ccc3n2)cc1)N1CCOCC1,CI,0
Cl.N=C(C=Cc1ccc(-c2cn3cc(C=CC(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1,CM,1
Cl.N=C(c1ccc(-c2cn3cc(C(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1,CM,1
Br.C(=Cc1ccc(-c2cn3cc(C=CC=NNC4=NCCCN4)ccc3n2)cc1)C=NNC1=NCCCN1,CI,0
Br.C(=Cc1ccc(-c2cn3cc(C=CC=NNC4=NCCN4)ccc3n2)cc1)C=NNC1=NCCN1,CI,0
Br.C(=NNC1=NCCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCCN4)ccc3n2)cc1,CI,0
COc1ccc(C=NNc2nnc3c(n2)c2ccccc2c2nn(-c4ccccc4Cl)nc23)cc1,CI,0
O=c1sc2c(s1)SSSSS2,CI,0
CC[N+](CC)(CC)CC.O=[Re+]12([SH+]CC[SH+]1)[SH+]CC[SH+]2,CI,0
Cl.OCC1NC(CC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,CI,0
COC1OC(CCC2NC(CO)C(O)C(O)C2O)C(O)C(O)C1O.Cl,CI,0
Nc1ncnc2c1ncn2C1OC2(CCSC2)C(O)C1O,CI,0
Nc1ncnc2c1ncn2C1OC2CSCCC2(O)C1O,CI,0
Nc1ncnc2c1ncn2C1OC2CSCC2(O)C1O,CI,0
Cc1cn(C2COC(C)(CO)O2)c(=O)[nH]c1=O,CI,0
N=c1[nH]cc(Sc2ccccc2C(=O)O)s1,CI,0
N=c1[nH]c2c(=O)c3ccccc3sc2s1,CI,0
CC(=O)Nc1nc2c(=O)c3ccccc3sc2s1,CI,0
CN1CCc2c(sc3nc(Nc4ccccc4)n(N)c(=O)c23)C1,CI,0
CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCN(C)C2,CI,0
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2,CI,0
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2,CI,0
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,CI,0
O=c1c(-c2ccccc2)c(SCc2cc(O)nc(O)n2)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
CCOC(=O)c1c(SCc2cc(O)nc(O)n2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CM,1
O=C(c1cccs1)N(C(=S)OCc1ccccn1)c1ccccc1,CI,0
O=C(c1ccco1)N(C(=S)OCc1ccccn1)c1ccccc1,CI,0
CC(C)(C)C(=O)N(C(=S)OCc1ccccn1)c1ccccc1,CI,0
O=C(c1cccs1)N1CCCN(C(=O)c2cccs2)C1=S,CI,0
O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)C1=S,CI,0
O=C(c1cccs1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1,CI,0
O=C(c1ccco1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1,CI,0
CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1,CI,0
O=C(c1cccs1)N(C(=O)N1CCCCC1)c1ccccc1,CI,0
O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccccc1,CI,0
CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCCCC1)c1ccccc1,CI,0
CC(=O)Oc1c(C)c2c(c3ccccc13)OC(C)(C)C2,CI,0
Clc1c2ncccc2cc2nn[nH]c12,CI,0
O=C(O)C(F)(F)F.c1ccc(CNCCCNCCCCNCCCNCc2ccccc2)cc1,CI,0
O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1,CI,0
O=C(O)C(F)(F)F.c1ccc(CNCCCCNCCCNCc2ccccc2)cc1,CI,0
COC(=O)c1ccn2c(N(C)C)[n+]3ccc(C(=O)OC)cc3c2c1.[O-][Cl+3]([O-])([O-])[O-],CI,0
COC(=O)[n+]1cc2c3ccccn3c(N(C)C)[n+]2c2ccccc21.[O-][Cl+3]([O-])([O-])[O-],CI,0
CCc1c(CNC2=NCCN2)c(CC)c(CNC2=NCCN2)c(CC)c1CNC1=NCCN1.Cl,CI,0
Cc1ccccc1C(O)(c1nccn1C)c1nccn1C,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(CNC(=S)NCc2cccc(CNC(=S)NCc3ccccc3)c2)cc1,CI,0
COC1(OC)c2occc2C(=N)c2ccc(=O)oc21,CI,0
C=C1CCC=C(C(=O)O)CCC2C1CC2(C)C,CI,0
O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1,CI,0
CC(C)(C)c1cc(-c2cc(C(C)(C)C)[nH]n2)[nH]n1,CI,0
COC(=O)C1C(C(=O)OC)C2(OC(c3ccc(Cl)cc3)=CC2=O)C12OC(c1ccc(Cl)cc1)=CC2=O,CI,0
O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCCC1,CI,0
NC(=O)c1ncn2c1CNC(=O)C2,CI,0
CC(=O)n1nc(-c2[nH]c(C)c(-c3nn(C(C)=O)c(=S)o3)c2C)oc1=S,CI,0
C1COC2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)SC2O1,CI,0
C1CSC2=C(S1)SC1=C(S2)SC(=C2SC3=C(SC4=C(SCCS4)S3)S2)S1,CI,0
CC1c2cc(c3c(c2O)CN(C(C)C2CCCCC2)CO3)C(C)c2cc(c3c(c2O)CN(C(C)C2CCCCC2)CO3)C(C)c2cc(c3c(c2O)CN(C(C)C2CCCCC2)CO3)C(C)c2cc1c1c(c2O)CN(C(C)C2CCCCC2)CO1,CI,0
CCOP(=O)(OCC)c1ccc(O)nc1-c1cccs1,CI,0
CSC1=NC(c2ccccc2)CS1,CI,0
CCOC(=O)C1=CNC(=C(C)C(=O)OC)SC1C(=O)OCC,CI,0
N#CC1=C(C#N)C(=C(C#N)C(C#N)C#N)NC1=N.[NaH],CI,0
COC(=O)c1sc2c(=O)c(C(=O)OC)c(C(=O)OC)sc2c(=O)c1C(=O)OC,CI,0
Cc1nc2c(ccc3[nH]c4ccccc4c32)s1,CI,0
CCN1CCN(c2nc3ccccc3c3c2CCOc2ccccc2-3)CC1,CI,0
COc1cc2c(SCCN(C)C)nc3ccccc3c2c2ccccc12,CI,0
Cn1nc2ccc(Nc3cc(O)nc4ccc5nn(C)nc5c34)cc2n1,CI,0
COC(=O)c1cc(=O)n(-c2ccc3nn(C)nc3c2)cc1C(=O)OC,CI,0
FC(F)(F)c1cccnc1Sc1nc2ccccc2s1,CI,0
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCNc1ccc([N+](=O)[O-])cc1,CI,0
CCCN(CCC)C1CCc2c(ccc3cc[nH]c23)C1,CI,0
Cn1c(=O)c2sc3c4sc5c(=O)n(C)c6ccccc6c5c4sc3c2c2ccccc21,CI,0
Cn1c(=O)c2sc3cc4c(cc3c2c2ccccc21)sc1c(=O)n(C)c2ccccc2c14,CI,0
Cc1cccc(CP(Cc2cccc(C)c2)CC2(Cp3c4ccccc4c4ccccc43)COC2)c1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)Cn3c(=O)n(C)c(=O)c4c3nc3c(c(=O)n(C)c(=O)n3C)[n+]4[O-])c2c1,CI,0
CC1(C)CC2C(O)C(CO)=C3C(=O)C(O)C3(C)C2C1,CI,0
COc1ccc(OC)c2c3c([nH]c12)C(=O)Nc1nc(N)nc(N)c1C3,CI,0
O=S1(=O)c2ccccc2-c2nccc3ccnc1c23,CI,0
c1ccc2c(c1)sc1nccc3ccnc2c31,CI,0
O=C1NC(c2ccccc2)C1N(Cc1ccccc1)Cc1ccccc1,CI,0
CCN(CC)C1C(=O)NC1C#Cc1ccccc1,CI,0
Br.CC12CC(c3ccccc3O1)N1CCCCSC1=N2,CI,0
Br.CC12CC(c3ccccc3O1)N1CCCSC1=N2,CI,0
Br.CC12CC(c3ccccc3O1)N1CCSC1=N2,CI,0
Br.CC12CC(c3ccccc3O1)N1Cc3ccccc3CSC1=N2,CI,0
COC(=O)C1C2NC(=S)NC1(C)Oc1ccccc12,CI,0
CCOC(=O)C1C2NC(=O)NC1(C)Oc1ccccc12,CI,0
Cn1c(=O)c2c(nc3sc4ccccc4c(=O)n32)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3sc4ncccc4c(=O)n32)n(C)c1=O,CI,0
CC1=CC(C)=[N+]2C(c3ccccc3)=[S+][Pd-2]23[S+]=C(c2ccccc2)N13.[Cl-],CI,0
CC1=CC(C)=[N+]2C(c3ccccc3)=S3[Pt+2]24N1C(c1ccccc1)=S4[Pt+2]31S2=C(c3ccccc3)N3C(C)=CC(C)=[N+]4C(c5ccccc5)=S1[Pt+2]342.[Cl-],CI,0
CN1Cc2cc3cc4c(cc3nc2N(C)C1)OCCO4,CI,0
CN1COCc2cc3cc4c(cc3nc21)OCCO4,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)NC1CCCCC1,CI,0
O=C(NN=C(c1ccccc1)c1ccccn1)NC1CCCCC1,CI,0
CC(=NNC(=S)N(Cc1ccccn1)Cc1ccccn1)c1cnccn1,CI,0
S=C(NN=Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1,CI,0
CC(C)(C)c1ccc2c(c1)CNCCNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCCNCc2cc(C(C)(C)C)ccc2OC1,CI,0
CC(C)(C)c1ccc2c(c1)CNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCc2cc(C(C)(C)C)ccc2OC1,CI,0
Nc1cccc(C#Cc2cccc(C#Cc3cccc(N)n3)n2)n1,CI,0
CC(C)CCCC(C)C1CCC2C3=CC(OS(=O)(=O)O)C4(O)CC(O)CCC4(C)C3(O)CCC21C,CI,0
O=C(O)c1cc(S(=O)(=O)Nc2cc(Cc3cc(NS(=O)(=O)c4ccc(O)c(C(=O)O)c4)c(O)c(C(=O)O)c3)cc(C(=O)O)c2O)ccc1O.[NaH],CI,0
NCCCCC1NC(=O)C(CO)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O,CI,0
O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21,CI,0
O=C(NCC(O)COc1ccccc1)c1ccccc1O,CI,0
O=C(c1ccccc1)c1ccc(COc2ccc(C(c3c(O)c4ccccc4oc3=O)c3c(O)c4ccccc4oc3=O)cc2)cc1,CI,0
O=C(c1ccccc1)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,CI,0
O=C1c2scnc2-c2nccc3c2c1nc1ccccc13,CI,0
CC(C)C1CCC(=O)CC1CCCCC1CC(=O)CC1O[Si](C)(C)C(C)(C)C,CI,0
CCCCCC(O)C1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C=CCCOCc1ccccc1,CI,0
CCCCCC(C=CC1CCC(=O)C1CC#C[Si](C)(C)C)OCc1ccccc1,CI,0
CC1(C=CCCSc2ccccc2)CC(=O)C2CC1C2(C)C,CI,0
CC(C)[Si](OCCC=CC1CCC(=O)C1C(O)C1CCCCC1)(C(C)C)C(C)C,CI,0
COC(=O)C12CCCC(=O)C1C1CCCCC12,CI,0
COC(=O)C=CCOCC1C2CCC(=O)C21,CI,0
CCOC(=O)C1C2CCC1CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2,CI,0
CC12CC(=O)C3C(C(=O)C1)C32C,CI,0
CC1(C)OC2OC(COC(=O)c3ccc(C#N)cc3)C3OC(C)(C)OC3C2O1,CI,0
COC(=O)C(C1CCC(OCc2ccccc2)C1(O)COCc1ccccc1)C(C)(O)CCc1ccccc1,CI,0
COc1ccc(OC(CO)CC2COC(C)(C)O2)cc1,CI,0
O=C1OC(CS(=O)(=O)c2ccccc2)CC1O,CI,0
COc1ccc(OC(COCc2ccccc2)CC2COC(C)(C)O2)cc1,CI,0
O=C(OCC1CC(C2(O)CCCCC2)C(=O)O1)c1ccccc1,CI,0
CC1(CCCCO)C=CC(S(=O)(=O)c2ccccc2)CC1,CI,0
CC12CCC(C(C(O)C3CCCCC3)C1=O)C2(C)C,CI,0
CC1(C)OCC(CC(O)COCc2ccccc2)O1,CI,0
CC1(C)OC2C(COCc3ccccc3)C3CC(=O)OC3C2O1,CI,0
CC12CCCC(OC(=O)c3ccc(Br)cc3)C(C1)C(=O)CC2,CI,0
CC1(C)OC2OC(C(=O)c3ccccc3)C3OC(C)(C)OC3C2O1,CI,0
COC1OC(C(=O)c2ccccc2)C2OC(C)(C)OC12,CI,0
O=C(OCC(OC(=O)c1ccccc1)C1CC(C(O)C2CCCCC2)C(=O)O1)c1ccccc1,CI,0
O=C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C=C1OC(=O)c1ccccc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1,CI,0
CCCCn1c(C)c(C(=O)OCC)c2cc(OCc3ccc(C(=O)Nn4c(C)ccc4C)cc3)c(Br)cc21,CI,0
COC(=O)c1cc2c(=NO)c3ccccc3sc2o1,CI,0
COC(=O)c1cc2c(o1)Sc1ccccc1NC2=O,CI,0
COc1ccc(C2CC(c3c(C)nn(-c4ccccc4)c3-c3ccc(C)cc3O)=NN2c2ccccc2)cc1,CI,0
c1ccc(C2OCC(OC3CCCCO3)CO2)cc1,CI,0
Cc1cn(C2CC([Se]c3ccccc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
CSC1=NC(=Cc2ccco2)C(=O)N1CN1CCCCC1,CI,0
CSC1=NC(=Cc2cccs2)C(=O)N1CN1CCCCC1,CI,0
CSC1=NC(=Cc2ccco2)C(=O)N1CN1CCOCC1,CI,0
CSC1=NC(=Cc2cccs2)C(=O)N1CN1CCOCC1,CI,0
O=C1C(=Cc2ccco2)NC(=S)N1CN1CCCCC1,CI,0
O=C1C(=Cc2ccco2)NC(=S)N1CN1CCOCC1,CI,0
CC1C(OCc2ccccc2)COC(=O)N1Cc1ccccc1,CI,0
CC(c1ccccc1)N1C(=O)C(OCc2ccccc2)C1C(COC(=O)COCc1ccccc1)OCc1ccccc1,CI,0
OCC(O)C(OCc1ccccc1)C(NCc1ccccc1)c1cccs1,CI,0
COC(=O)CC1C(C)(C)C2OC34CC2C(=O)C1(C)C3CCC1(C)C(c2ccoc2)OC(=O)CC14O,CI,0
C#CC1(O)CCC2C3CCC4=CC(=NOC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CCC4C3CCC21C,CI,0
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12,CI,0
CC(=NNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CCC2C3CCC4=CC(=NNC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CCC4(C)C3CCC12C,CI,0
CC1C=C2C3CC(C)(C(=O)O)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(OC(=O)c4cccc5c(=O)c6ccccc6[nH]c45)CCC3(C)C12,CI,0
CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2OC(=O)c1cccc2c(=O)c3ccccc3[nH]c12,CI,0
CC1CC(=O)CC2CCC3C4CCC(OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C4(C)CCC3C12C,CI,0
COc1ccc(C(OCC2OC(n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
O=c1c2ncn(C3CC(O)C(CO)O3)c2nnn1Cc1ccccc1[N+](=O)[O-],CI,0
Cc1cc(NCC(O)C(O)C(O)CO)c(Sc2cc(O)nc(O)n2)cc1C,CI,0
CC(C(=O)ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)s1,CI,0
CC(Cc1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)CC1O,CI,0
CCOC(=O)C1=[N+]([O-])OC2=C(O)CCCC21,CI,0
COC(=O)CC1c2ccccc2N2C(=O)Cc3c([nH]c4ccccc34)C12,CI,0
Cc1cn(C2CC(n3ncnn3)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1ccc(S(=O)(=O)c2[nH]cc(-c3c[nH]c(S(=O)(=O)c4ccc(C)cc4)c3C3CCCCC3)c2C2CCCCC2)cc1,CI,0
Cc1ccc(S(=O)(=O)c2[nH]cc(C(=CC3CCCCC3)[N+](=O)[O-])c2C2CCCCC2)cc1,CI,0
CC1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2NC1=O,CI,0
C[N+]1=C2[B-](C(C)(C)C)=[N+](C(C)(C)C)[B-]2(C(C)(C)C)[N+](C)=C2[B-](C(C)(C)C)=[N+](C(C)(C)C)[B-]21C(C)(C)C,CI,0
O=C(NN=Cc1c(-c2ccccc2)no[n+]1[O-])N1CCOCC1,CI,0
[O-][n+]1onc(-c2ccccc2)c1CN1CCOCC1,CI,0
N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],CI,0
CCN(C(=S)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)OC)c1ccccc1,CI,0
CCN(C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1,CI,0
N#CCCN(CCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
N#CCCN(C(=O)Nc1ccccc1)C1CCCCC1N(C(=O)Nc1ccccc1)c1ccccc1,CI,0
N#CCCN(CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1,CI,0
N#CC(c1nc2ccccc2[nH]1)c1nc2ccccc2nc1Cl,CI,0
N#CC(c1nc2ccccc2s1)c1nc2ccccc2nc1Cl,CI,0
N#CC(c1ccccn1)c1nc2ccccc2nc1Cl,CI,0
Cc1cc(C(C#N)c2nc3ccccc3[nH]2)nc(Cl)n1,CI,0
Cc1cc(C(C#N)c2nc3ccccc3s2)nc(Cl)n1,CI,0
CSc1ncc2c(C#N)c3ccccn3c(=O)c2n1,CI,0
CSc1ncc2c(C#N)c3sc4ccccc4n3c(=O)c2n1,CI,0
O=C(O)C1CC(C2CCCCN2)CN2CCCCC12,CI,0
Cl.O=C(OCC1CCCN2CCCCC12)c1ccncc1,CI,0
C[N+]12CCCCC1C(COc1cccc3cccnc13)CCC2.[I-],CI,0
C[N+]12CCCCC1C(CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2.[I-],CI,0
COc1ccccc1C(=O)NCC1CCCN2CCCCC12,CI,0
C[N+]12CCCCC1C(CN1C(=O)c3ccccc3C1=O)CCC2.[I-],CI,0
C=CC(C)(C)NC(C(=O)N1CCCC1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C,CI,0
C#CCn1c(I)cc2c(c1=O)COC(=O)C2(O)CC,CI,0
C=C1CN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)c2cc([N+](=O)[O-])ccc21,CI,0
CC1CC(O)C2(O)OC3CC4(C=O)C(CC=C5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1,CI,0
CN(C)c1cc(CN(CCSS(=O)c2ccccc2[N+](=O)[O-])S(=O)c2ccccc2[N+](=O)[O-])nc(CN(CCSS(=O)c2ccccc2[N+](=O)[O-])S(=O)c2ccccc2[N+](=O)[O-])c1,CI,0
CN(C)c1cc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)nc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0
CN(C)c1cc(CNCCc2c[nH]cn2)nc(CNCCc2c[nH]cn2)c1,CI,0
CC(=O)NC1C(OC2C(CO)OC(OCC3OC(n4ccc(=N)[nH]c4=O)C(O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1O,CI,0
CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(Cl)CC=CC(=O)C12C)C(=O)OC35C,CI,0
O=[N+]([O-])c1nc(-c2nc([N+](=O)[O-])c([N+](=O)[O-])[nH]2)[nH]c1[N+](=O)[O-],CI,0
O=c1cc[nH]c(=O)n1C1CCC(CO)O1,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(N)=C(C#N)C4c1ccccc1)OC(C)C(C)C3=O,CI,0
CCCc1cc(=O)oc2c3c(cc(OS(=O)(=O)c4ccc(C)cc4)c12)OC(C)C(C)C3=O,CI,0
CC1=[O+][Co-4]23(NCCN2CCCNC(=O)c2cccc4cc5ccccc5nc24)([O+]=C(C)C(C)=C(C)[OH+]3)[OH+]C(C)=C1C.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC[N+]1(CC)CCN[Co-4]123([OH+]C(=O)C(=O)[OH+]2)[OH+]C(=O)C(=O)[OH+]3.[K+],CI,0
O=C(OCC1OC(n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1,CI,0
Cl.O=C(C=Cc1ccccc1)CCN1CCCC1,CI,0
Cl.O=C(CCN1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1,CI,0
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O,CI,0
Oc1nc(Cc2ccccc2)nc2c1sc1nc3ccccc3n12,CI,0
Oc1nc(-c2ccccc2)nc2c1sc1nc3ccccc3n12,CI,0
O=C1CC(=O)NC(NN2C(=O)C(=CC(=O)c3ccco3)N=C2c2ccccc2)=N1,CI,0
O=C1CC(=O)NC(NN2C(=O)CSC2C(=O)c2ccco2)=N1,CA,1
O=C(c1ccco1)C1CC(c2ccc3ccccc3c2O)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
Cc1nc2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c(=O)n1NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CI,0
Cc1nc2ccc(S(=O)(=O)Nc3nccs3)cc2c(=O)n1NS(=O)(=O)c1nccs1,CI,0
Cc1nc2ccc(S(=O)(=O)Nc3ccccn3)cc2c(=O)n1NS(=O)(=O)c1ccccn1,CI,0
Cc1ccc(S(=O)(=O)Nn2c(C)cc3ccc(S(=O)(=O)Nc4ccccc4[N+](=O)[O-])cc3c2=O)cc1,CI,0
O=c1c2cc(S(=O)(=O)Nc3c(Cl)cccc3Cl)ccc2ncn1NS(=O)(=O)c1ccc2ccccc2c1,CI,0
O=c1c2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2ncn1NS(=O)(=O)c1cccc2ccccc12,CI,0
O=C(CN(c1ccc(S(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1)Nn1cnc2ccc(S(=O)(=O)N(c3ccc(S(=O)(=O)O)cc3)c3ccc(S(=O)(=O)O)cc3)cc2c1=O,CI,0
O=C(CNc1nccs1)Nn1cnc2ccc(S(=O)(=O)Nc3nccs3)cc2c1=O,CI,0
O=C(CNc1ccccn1)Nn1cnc2ccc(S(=O)(=O)Nc3ccccn3)cc2c1=O,CI,0
Brc1ccc(N=NN2CCCCC2)cc1,CI,0
c1ccc(-c2ccc(N=NN3CCCC3)cc2)cc1,CI,0
COc1ccc(-n2c(=O)c3[nH]c(=S)[nH]c3n(-c3ccc(OC)cc3)c2=S)cc1,CI,0
N#Cc1nc(C(CO)N(Cc2ccccc2)C(=O)O)oc1N,CI,0
O=C(N[IH2]1OC(=O)c2ccccc21)c1ccc(Cl)cc1,CI,0
CC(C)(C)c1cc(-c2cc(C(C)(C)C)n(-c3ccccc3)n2)nn1-c1ccccc1,CI,0
O=C(NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1,CI,0
Cc1ccc(-c2cc(=O)c(=O)[nH][nH]2)cc1,CI,0
O=C1CC(c2ccc(O)c(O)c2)c2cc(O)c3c(c2O1)CC(O)C(c1ccc(O)c(O)c1)O3,CI,0
O=C1CC(c2ccc(O)c(O)c2)c2c(cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)O1,CI,0
Cc1ccc2c(N(CCO)CCO)cc(-c3ccccc3)nc2n1,CI,0
Cc1ccn2c(=O)cc(CN3CCOCC3)nc2c1,CI,0
O=c1cc(CN2CCCCC2)nc2ccc3c(O)cc(CN4CCCCC4)nc3n12,CI,0
CC(=O)C(=CNc1c(C)n(C)n(C)c1=O)C(=O)c1ccccc1,CI,0
COc1ccc(NC(=O)C2=C(SC)C(C#N)C(=O)NC2=N)cc1,CI,0
CSc1nc(S)nc2c1c(C)nn2-c1ccccc1,CI,0
CSC(SC)=C1C(=O)NN=C1C,CI,0
CSC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=S)C1C#N,CI,0
CC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)C12C,CI,0
CC(C)(C)OC(=O)C1CCC(=S)N1Cc1ccccc1,CI,0
CC(C)(C)OC(=O)C1CCC(CC(=O)Oc2ccc([N+](=O)[O-])cc2)N1,CI,0
CC(C)CC(NC(=O)C(COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
CC(C)CC(NC(=O)C(CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1,CI,0
COC(=O)CC(CNC(=O)OCc1ccccc1)OCc1ccc(OC)cc1,CI,0
COC(=O)CC1(CNC(=O)OCc2ccccc2)OCCO1,CI,0
c1ccc(C(NCC2CCO2)(c2ccccc2)c2ccccc2)cc1,CI,0
Cc1ccc(S(=O)(=O)OCCC2CN(C(=O)OCc3ccccc3)C(C)(C)O2)cc1,CI,0
C1=NN=C2N3CN4CCN5CN6CN7CCN(C3)[Cu-5]457([NH+]12)[NH+]1C=NN=C61,CI,0
C1=NN=C2N3CN4CCN5CN6CN7CCN(C3)[Ni-4]457([NH+]12)[NH+]1C=NN=C61,CI,0
CCOC(=O)c1[nH]cc(C)c1-c1ccn(-c2ccccc2)c1,CI,0
CCOC(=O)c1[nH]cc(C)c1-c1c[nH]c2ccccc12,CI,0
O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)OC2(CCCCC2)OC1=O,CI,0
CC(C)[Si]1(C(C)C)OCC2OC(n3cnc4c(N)ncnc43)C(N)C2O[Si](C(C)C)(C(C)C)O1,CI,0
Cc1cc(C)c(P2C(=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C2(c2ccccc2)c2ccccc2)c(C)c1,CI,0
Cc1c(C(=O)NNc2ccccc2)n2c(=S)[nH]nc2c2ccccc12,CI,0
Cc1c(C(=O)O)n2c(=S)[nH]nc2c2ccccc12,CI,0
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2C2CCCCC2)cc1,CI,0
COC(=O)c1ccccc1N=C(NC1CCCCCC1)NS(=O)(=O)c1ccc(C)cc1,CI,0
CC1(C)CC(=NO)c2c(nc3ccc4ccccc4c3c2-c2ccc(Cl)cc2)C1,CI,0
Cc1ccc(S(=O)(=O)N=C2N(C)CCCS2(=O)=O)cc1,CI,0
O=S1(=O)CCN(Cc2ccccc2)C1=NS(=O)(=O)c1ccc(Cl)cc1,CI,0
S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccs1,CI,0
CC1=CN(c2ccccc2)S2=C1c1sc3c(c1N2c1ccc(Br)cc1)CCCC3,CI,0
CCSc1nnc(Sc2c3ccccc3nc3ccccc23)s1,CI,0
CCSc1nn(-c2c3ccccc3nc3ccccc23)c(=S)s1,CI,0
CC1(C)CC(=O)C2(CC(CSc3ccccc3)C(CS(=O)(=O)c3ccccc3)C2)C(=O)C1,CI,0
Cc1ccc(S(=O)(=O)CC2CCCn3c2c(C#N)c2ccccc23)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CC2CCCCC=O)cc1,CI,0
O=C(O)c1ccccc1C(=O)Nn1cnnc1,CI,0
O=C(O)C1CCCCC1C(=O)Nn1cnnc1,CI,0
CCc1nnc(CC)n1N1C(=O)CCC1=O,CI,0
Cc1ccc(-c2n[nH]c(Cc3nc(-c4ccc(C)cc4)n[nH]3)n2)cc1,CI,0
c1ccc(Cc2n[nH]c(Cc3nc(Cc4ccccc4)n[nH]3)n2)cc1,CI,0
Cc1n[nH]c(Cc2nc(C)n[nH]2)n1,CI,0
CCc1n[nH]c(=O)n1NC(=O)c1ccccc1C(=O)O,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1c(O)ccc2ccccc12,CI,0
CCc1n[nH]c(=O)n1N=Cc1c(O)ccc2ccccc12,CI,0
Cc1ccc(-n2c(C)n[nH]c2=O)cc1,CI,0
CC(=CCc1ccc(F)cc1)CCCCCCC(C)=CCc1ccc(F)cc1,CI,0
COc1c(C)c(CC=C(C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC,CI,0
COc1cc2c(c3c1C1Oc4cc(OCc5ccccc5)c(O)cc4C1C(C)(C)O3)CCC(C)(C)O2,CI,0
COc1cc2c(cc1O)C1C(O2)c2c(OC)cc3c(c2OC1(C)C)CCC(C)(C)O3,CI,0
COc1cc2c(cc1O)C1C(O2)c2ccc(OCc3ccccc3)cc2OC1(C)C,CI,0
CC1(C)Oc2cc(OCc3ccccc3)ccc2C2Oc3cc(OCc4ccccc4)c(O)cc3C21,CI,0
CC(C)(C)N=c1n(C(C)(C)C)oc(=O)n1-c1ccccc1,CI,0
O=c1onc(Nc2ccccc2)n1-c1ccccc1,CI,0
CC(C)(C)N=c1n(C(C)(C)C)oc(=O)n1C(C)(C)C,CI,0
CC(C)(C)Nc1noc(=O)n1C(C)(C)C,CI,0
Cn1c(=O)n2n(c1=O)C(c1ccccc1)C2c1ccccc1,CI,0
O=c1n(-c2ccccc2)c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n12,CI,0
CC1(C)N(OC2CCCCO2)C(c2ccccc2)[C-](c2ccccc2)[N+]1=O,CI,0
CC1N(O)C(c2ccccc2)[C-](c2ccccc2)[N+]1=O,CI,0
[O-][N+]1=[N+]([O-])C(c2ccccc2)C1c1ccccc1,CI,0
[O-][N+]1=C(c2ccccc2)C(c2ccccc2)=N1,CI,0
Cl.O=C(CCN1CCOCC1)c1ccc(Oc2ccc(F)cc2)cc1,CI,0
Cc1n[nH]c(=O)n1N1C(=O)c2ccccc2C1=O,CI,0
COc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1c(C)cc(C)cc1C,CI,0
CC=C1CC2C(=O)CCC2C2c3ccccc3OC12,CI,0
COc1c2c(cc3c1C(=O)c1c(O)cccc1C3=O)CC(O)CC2,CI,0
COc1cc(C2C=C(c3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,CI,0
Cc1ccc(OCC2OC(C#N)C(Oc3ccc(C)cc3)C2Oc2ccc(C)cc2)cc1,CI,0
Br.Oc1ccc(CC2CNC(Cc3ccc(O)c(Br)c3)CN2)cc1,CI,0
O=C1NC(Cc2ccc(O)cc2)C(=O)NC1Cc1ccc(O)cc1,CI,0
COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2,CI,0
O=C(C=Cc1ccc2c(c1)OCO2)NCc1ccco1,CI,0
COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C=C2,CI,0
COc1ccc(CCN=C2OCc3ccccc32)cc1OC.Cl,CI,0
COc1ccc2c(c1)C(=O)OCCC2,CI,0
COc1ccc(CCCNC(=O)c2cc(OC)c(OC)cc2CCO)cc1OC,CI,0
Cc1cc(S(=O)(=O)Nc2nnc3c4scc(C)c4ncn23)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nnc3c4c(C)csc4ncn23)c(S)cc1Cl,CI,0
CCC(C)C(=O)c1c(O)c(CC2OC2(C)C)c(O)c2c(C(O)CC)cc(=O)oc12,CI,0
Cc1cnc2c(c1C)C(=O)c1ccccc1C2=O,CI,0
Cn1c(=O)c2nc(N=NNc3nncs3)[nH]c2n(C)c1=O,CI,0
O=C(NC1CCCCC1)c1nn[nH]c1Cl,CI,0
CNC(=O)c1nn[nH]c1Sc1c([N+](=O)[O-])ncn1C,CI,0
NNC(=O)c1nn[nH]c1SSc1[nH]nnc1C(=O)NN,CI,0
CSc1nc2c3ccccc3ccn2c1C(=O)NN=Cc1ccccc1,CI,0
CCOC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2c3ccccc3ccn12,CI,0
COC(=O)C=C1SC([C-](C(=O)OC)[n+]2ccc3ccccc3c2)=NC1=O,CI,0
O=C(Nc1cccc([N+](=O)[O-])c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1O.[NaH],CI,0
Cc1csc(NNC(=O)Nc2ccccc2)n1,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccccn1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
O=c1oc2cc(O)ccc2c(O)c1C(c1cccnc1)c1c(O)c2ccc(O)cc2oc1=O,CI,0
O=C(CCc1cc(O)cc(O)c1)NCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1,CI,0
O=C1SS(=O)c2ccccc21,CI,0
BrC1=C(Br)C2(SCCS2)C2CC1c1ccccc12,CI,0
BrC1C2(SCCS2)C2CC(c3ccccc32)C12SCCS2,CI,0
CC1(O)C2OC2C2(CCCO2)C2OC21,CI,0
O=S(=O)(SC1=NCCN1)c1cccc2ccccc12,CM,1
O=S(=O)(SC1=NCCN1)c1ccc2ccccc2c1,CM,1
O=C(SC1=NCCN1)c1cccc2ccccc12,CI,0
Cc1ccc2cccc3c2c1CC1(C3=O)S(=O)(=O)OCCOS1(=O)=O,CI,0
O=S(=O)(O)c1cc(O)c(N=NC2S(=O)(=O)OCCOS2(=O)=O)c2ccccc12,CI,0
O=S(=O)(O)C(Cc1nc2ccccc2[nH]1)S(=O)(=O)OCCC1S(=O)(=O)OCCOS1(=O)=O.[NaH],CI,0
O=S1(=O)OCCOS(=O)(=O)C1C1c2ccccc2-c2ccccc21,CI,0
CCOC(C)=O.CCOc1cc2c(cc1O)CCC1C2CCC2(C)C(OS(=O)OC3CCC4C5CCc6cc(O)c(OCC)cc6C5CCC34C)CCC12,CI,0
Cl.O=C(NCCc1ccccn1)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1,CI,0
C1=C(c2cnc3ccccc3n2)[SH+][Pt-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1,CI,0
C1=C(c2cnc3ccccc3n2)[SH+][Pd-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1,CI,0
C1=C(c2cnc3ccccc3n2)[SH+][Ni-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1,CI,0
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,CI,0
CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C,CI,0
CC(CO)C1=C(O)C(=O)c2c(ccc3c2CCCC3(C)C)C1=O,CI,0
CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)c2c3c(ccc4c3c1OC4(C)C)C(C)CC2,CI,0
Cc1ccc2c3c4c(ccc13)C(C)(C)OC4=C(C(C)C)C2=O,CI,0
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(OC(C)=O)C3OC(C)=O)C1=O,CI,0
C(#CP(c1ccccc1)c1ccccc1)P(C#CP(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
Cc1ccc(N2CCC3(CC2)OCCO3)cc1,CI,0
CC(CC(=O)OCc1ccccc1)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C,CI,0
Cc1cc(=NNC(=O)c2ccncc2)n2[nH]c(=N)sc2n1,CI,0
c1ccc2c(c1)[n-]n1c3ccc4nonc4c3n[n+]21,CI,0
ClC1=NSSC1(Cl)Cl,CI,0
Cl.O=C1CCCC1CC(CN1CCOCC1)Sc1nnnn1-c1ccccc1,CI,0
Cc1cc(C2(c3cc(C)c(O)c4ncccc34)OC(=O)c3ccccc32)c2cccnc2c1O,CI,0
CC1(C)CC(=O)c2c([nH][nH]c2=N)C1,CI,0
CCOc1ccc(N2C(=O)NC3(c4ccccc4)N(C)C(=O)N(C)C23c2ccccc2)cc1,CI,0
Cl.O=C1NC2NC3NC(=O)NC3NC2N1,CI,0
Clc1nssc1=Nc1nonc1-c1ccccc1,CI,0
ON=C1SC(=NO)C(=NO)SC1=NO,CI,0
O=C1c2ccccc2C(=Nc2ccc3ccccc3c2)C1(C1=C(c2ccccc2)C(=Nc2ccc3ccccc3c2)c2ccccc21)c1ccccc1,CI,0
Nc1ccc2c3c1cccc3c(=O)n1c3ccc(Cc4ccc5c(c4)nc4c6ccc(N)c7cccc(c(=O)n54)c76)cc3nc21,CI,0
c1ccc(CN2C3C4N(Cc5ccccc5)C2C2N(Cc5ccccc5)C(C(N2Cc2ccccc2)N4Cc2ccccc2)N3Cc2ccccc2)cc1,CI,0
O=C1ON=C2C3CC4CC12CC1(C3)C(=O)ON=C41,CI,0
Cc1ccc2[nH]c3c(c2c1)CCCC3=NNC(=N)N,CI,0
O=c1c2c(sc3ccccc13)NCN(CCc1ccccc1)C2,CI,0
c1ccc2c(c1)c(N1CCCCC1)cc1nc3c(cc(N4CCCCC4)c4ccccc43)nc12,CI,0
Cc1cc2ccccc2oc(=O)c1=NNc1ccccc1,CI,0
Cc1ccc(N=C2C(c3ccccc3)=C(SC3=C(c4ccccc4)C(=Nc4ccc(C)cc4)c4ccccc43)c3ccccc32)cc1,CI,0
CC(=Nc1nc(O)cc2c1C(=O)CC2)N(C)C,CI,0
O=C1N=C2NOC(=O)N=C2NO1,CI,0
c1ccc2c(c1)C1=Nc3ccc(cc3)-c3nc4ccc(cc4o3)N=C3N=C(Nc4ccc5nc(oc5c4)-c4ccc(cc4)NC2=N1)c1ccccc13,CI,0
O=c1c2cc3c(=O)n4c(cc(-c5ccccc5)c5cc(Cl)ccc54)nc3cc2nc2cc(-c3ccccc3)c3cc(Cl)ccc3n12,CI,0
O=C1OC2c3ccccc3C(=O)C2(c2ccccc2)N1c1ccccc1,CI,0
CC(CN1NC12CCCC2)N1NC12CCCC2,CI,0
CC1=NOC(C)(O)C1=NO,CI,0
Cc1n[nH]c(=N)sc1=NO.Cl,CI,0
N#Cc1ccccc1-c1nc2c3c(c(N)ccc3n1)C(=O)c1ccccc1-2,CI,0
Nc1ccc(-c2ncc3cc(-c4cccc(-c5cc6cnc(-c7ccc(N)cc7)nc6c6ccccc56)c4)c4ccccc4c3n2)cc1,CI,0
NC1=CN(CCCO)C2=NC(=Cc3ccco3)C(=O)N12,CI,0
NC1=CN(CCCO)C2=NC(=Cc3ccccc3)C(=O)N12,CI,0
NC1=CN(Cc2ccccc2)C2=NC(=Cc3ccco3)C(=O)N12,CI,0
O=C(NC(=Cc1ccccc1)C1Nc2ccccc2C(=O)O1)c1ccccc1,CI,0
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nn(C)c(=O)o2)cc1,CI,0
Cn1c(N)c(C=CC(=O)Oc2ccccc2)c(=O)n(C)c1=O,CI,0
COc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(=O)n1C,CI,0
Cn1c(Nc2ccccc2)c(C=Nc2ccccc2)c(=O)n(C)c1=O,CI,0
Cn1c(=O)c2c(=O)cc(N)[nH]c2n(C)c1=O,CI,0
O=c1oc2ccccc2c(O)c1C1c2ccccc2Oc2c1c(=O)oc1ccccc21,CI,0
O=c1oc2ccccc2c(O)c1C(c1cccs1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1cccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1)c1c(O)c2ccccc2oc1=O,CM,1
O=c1oc2ccccc2c(O)c1C1c2c(c3ccccc3oc2=O)Oc2c1c(=O)oc1ccccc21,CI,0
O=c1oc2ccccc2c(O)c1C(c1cnc2ccccc2c1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccco1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc(-c2ccccc2)cc1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc(OCc2ccccc2)cc1)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)Cc1ccccc1-2)c1c(O)c2ccccc2oc1=O,CI,0
O=c1oc2ccccc2c(O)c1Cc1cccc(Cc2c(O)c3ccccc3oc2=O)c1,CM,1
O=c1oc2ccccc2c(O)c1Cc1ccccc1Cc1c(O)c2ccccc2oc1=O,CI,0
CCCCCC1OC1(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1,CI,0
CCn1c(SCc2nnc(Nc3ccccc3)s2)nc2ccccc2c1=O,CI,0
CCn1c(SCC(=O)NN=Cc2ccccc2)nc2ccccc2c1=O,CI,0
Cc1ccc2c(c1)C(C(=O)NC1C(=O)N3C1SC(C)(C)C3C(=O)O)OCCC2.[NaH],CI,0
N#Cc1c(NC(=O)C(F)(F)F)sc2c3c(=O)c4ccccc4c(=O)c=3oc3ccccc3c12,CI,0
Cn1c(=O)c2c(n(C)c1=O)n1c(=O)c3ccccc3nc1n2C,CI,0
Oc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCOc1c(cccc1Cc1cccc(c1O)C3)C2,CI,0
COc1ccc2nc(NN=CC(C)=NNc3cc(C)c4cc(OC)ccc4n3)cc(C)c2c1,CI,0
O=c1onc2c3ccccc3ncn12,CI,0
Nc1ccccc1-c1noc(=O)[nH]1,CI,0
COC(=O)C1(NC(=O)c2ccccc2)CC1C=O,CI,0
O=c1nc(Oc2c(F)c(F)c(F)c(F)c2F)ccn1C1OC(CO)C(O)C1O,CI,0
COc1ccc(C(OCC2OC(n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
CC(=O)[O-].COc1ccc(-[n+]2nc(S(=O)(=O)O)c(C=Cc3ccc(N(C)C)cc3)cc2C#N)cc1,CI,0
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)Sc1c2ssc1=O,CI,0
CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(-c6ccc(-c7sccc7CCCCCCCCCCCC)s6)s5)s4)cc3CCCCCCCCCCCC)s2)s1,CI,0
Cl.O=C(CN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(CCO)CC1,CI,0
CN1N=C(c2ccccc2)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)N(C)N=C2c2ccccc2)C1=O,CI,0
CC1=C(C#N)C(=C(C#N)C#N)OC1(C)Cc1ccccc1,CI,0
CC1(C)OC(=C(C#N)C#N)C(C#N)=C1C=Cc1ccncc1,CI,0
COc1ccc(-c2nc(N3CCCC3)no2)cc1,CI,0
COC(=O)CCCC(=O)C1=NN(c2ccc(Cl)cc2)Cc2ccccc2N1,CI,0
CC(CCC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0
COc1cc2c(c(OC)c1OC)C(=O)C1OC(=O)NC21,CI,0
O=C1CC(c2ccsc2)n2cccc21,CI,0
CN(C)c1nc2oc(-c3ccccc3)c(-c3ccccc3)c2c2nnnn12,CI,0
Cc1oc2nc(N(C)C)n3nnnc3c2c1C,CI,0
O=C1Nc2ccccc2C1=NNC(=O)C(O)(c1ccccc1)c1ccccc1,CI,0
CC(C(=O)O)C1Nc2ccccc2NC1=O,CI,0
O=C1Nc2ccccc2NC1C1OC(c2ccccc2)=CC1=O,CI,0
Clc1ccc(-c2cc3nc4ccccc4nc3o2)cc1,CI,0
CN1CC=C(OP(=O)(NCc2ccccc2)N(CCCl)CCCl)CC1.O=C(O)C(=O)O,CI,0
CCN(CC)c1ccc2c(c1)Oc1ccc(N(C(C)=O)c3ccccc3)cc1C21OC(=O)c2ccccc21,CI,0
Cc1c2oc(=O)c(C#N)cc2c2ccccn12,CM,1
O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(F)(F)F,CI,0
O=C(Cc1ccccc1)NCCCN(CCCCN(CCCNC(=O)Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
NC(=O)c1ccc[n+](C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1,CI,0
O=C(c1ccccc1)c1cc[n+](C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1C([N-]S(=O)(=O)c2ccccc2)=C([n+]2ccc(Cc3ccccc3)cc2)C(=O)c2ccccc21,CI,0
O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccccc1)c1ccccc1,CI,0
C[n+]1cn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c2ccccc21,CI,0
C[n+]1cn(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c2ccccc21,CI,0
O=C1C(NS(=O)(=O)c2ccccc2)=C(n2cnc3ccccc32)C(=O)c2ccccc21,CI,0
O=C1C(NS(=O)(=O)c2ccccc2)=C(n2ccnc2)C(=O)c2ccccc21,CI,0
O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2ccccc2c1)c1ccccc1,CI,0
O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc2ccccc12)c1ccccc1,CI,0
O=C1C(NS(=O)(=O)c2ccccc2)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc21,CI,0
Cc1ccc(S(=O)(=O)NC2C(=O)c3ccccc3C(=O)C2n2cnc3ccccc32)cc1,CI,0
Cc1ccc(S(=O)(=O)NC2C(=O)c3ccccc3C(=O)C2n2ccnc2)cc1,CI,0
Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCC2)cc1,CI,0
Nc1nc(O)c2c(n1)NC(c1ccccc1)=CC2c1ccc(Cl)cc1,CI,0
CCCN1C(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O,CI,0
O=C(Nn1cnn2c(=O)c3ccccc3nc2c1=O)c1ccccc1,CI,0
O=c1c2nc3ccccc3c(=O)n2ncn1-c1ccccc1Cl,CI,0
CC1(C)C2CCC1(C)C(OC(=O)NNC(=O)OC1CC3CCC1(C)C3(C)C)C2,CI,0
CCOC(=O)c1cc2c(C(=O)c3ccc([N+](=O)[O-])cc3)c(C(C)=O)ccc2[nH]1,CI,0
CCOC(=O)c1cc2cc(C)cc(C(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1,CI,0
Brc1ccc(-c2[nH]c3ccccc3c2N=Nc2ccccc2)cc1,CI,0
CCOC(=O)c1cc2c(ccc3cc(C(=O)OCC)[nH]c32)[nH]1,CI,0
COc1ccc(C2=C(N)c3ncccc3C2=O)cc1,CI,0
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(N(C)C)cc1,CI,0
CC1=CC(Nc2ccc(S(=O)(=O)c3ccc(NC4=NCCNC(C)=C4)cc3)cc2)=NCCN1,CI,0
CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)=O)cc2)cc1,CI,0
O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1,CI,0
Oc1ccc(Cl)cc1C1=NC(N=Cc2ccccc2)=NC(c2ccccc2)C1,CI,0
Nc1nc(Cl)nc(NCc2ccccc2)n1,CI,0
Cn1c(=S)[nH]c(N)c(Cc2ccccc2)c1=O,CI,0
Clc1cc(Cl)nc(Nc2ccc3c(c2)CCC3)n1,CI,0
Nc1nc(Cl)cc(Oc2ccc(Cl)cc2)n1,CI,0
N=C1NN(c2ccccc2)C2(c3ccncc3C(=O)O)C1C(=N)NN2c1ccccc1,CI,0
N#CC1C(=O)N(c2ccccc2)NC12OC(=O)c1ccncc12,CI,0
O=C(O)c1cnccc1-c1cc(=O)[nH]n1-c1ccccc1,CI,0
CC(=O)c1c2n(n(-c3ccccc3)c1=O)C(=O)c1nccnc1-2,CI,0
CCOC(=O)C1(C#N)C(=O)c2cc[n+](CC[n+]3ccc4c(c3)C(=O)C(C#N)(C(=O)OCC)C4=O)cc2C1=O.[Br-],CI,0
CC1=C(C#N)C(=O)N(N=Cc2ccc(Cl)cc2)C(=O)C1=c1oc(=C2C(=O)N(N=Cc3ccc(Cl)cc3)C(=O)C(C#N)=C2C)c2nccnc12,CI,0
N=C1NN(c2ccccc2)C2(O)c3ccncc3C3=NN(c4ccccc4)C(=O)C132,CI,0
COCC1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=NNC(=O)c1ccncc1,CI,0
COCC1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O,CI,0
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=NNc3ccccc3)c2O)c(C)c1O,CI,0
CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)c(C(=O)O)c3CCCCC)c2c(=O)o1,CI,0
COc1ccc(C(Nc2nc(O)c3ncn(COCCOP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)c3n2)(c2ccccc2)c2ccccc2)cc1,CI,0
CC(C)(C)C(=O)OC1CCOP(=O)(OCC2OC(n3cc(F)c(=O)[nH]c3=O)CC2O)O1,CI,0
O=C(CN1CCCCC1)OCOP(=O)(OCOC(=O)CN1CCCCC1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1,CI,0
Nc1cccc(OCC2CCCN3CCCCC23)c1,CI,0
COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0
CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,CI,0
C[N+]12CCCCC1C(CN1C(=O)CCCC1=O)CCC2.[I-],CI,0
C[N+]12CCCCC1C(COC(=O)COc1ccc(Cl)cc1Cl)CCC2.[I-],CI,0
c1cnc2c(SCC3CCCN4CCCCC34)cccc2c1,CI,0
CCOC(=O)CC1(N)CC2c3ccccc3OC(=O)C2C(=O)N1,CI,0
NC1=CC(=O)NC(=O)c2c(c3ccccc3oc2=O)C1,CI,0
N#Cc1c(N)nc2c3c1NC(=O)C(C(N)=O)C3c1ccccc1O2,CI,0
Cc1c(-c2[nH]c(N)c(C#N)c(=N)c2C#N)c(=O)oc2ccccc12,CI,0
CC12NC(=C(C#N)C#N)C(C#N)=C3NC(N)=C(C#N)C(=C31)Oc1ccccc12,CI,0
N#Cc1c(N)cc2c3ccccc3oc3c(C#N)c(N)nc1c32,CI,0
C=C1c2ccccc2Oc2nc3nc(N)c(C#N)c(N)c3c(N)c21,CI,0
c1ccc(C2C3=C(CCCC3)Nc3nc4cc5ccccc5cc4n32)cc1,CI,0
CC1=CC(c2ccccc2)n2c(nc3cc4ccccc4cc32)N1,CI,0
Clc1ccc(C2=C(c3ccccc3)C(c3ccc(Cl)cc3)N3C(=NC4CCCCC43)N2)cc1,CI,0
CCOC(=O)C1=C(N)N2C(=NC3CCCCC32)N=C1,CI,0
CCOC(=O)C1=CN2C(=NC3CCCCC32)NC1=O,CI,0
CCOC(=O)C1=CNC2=NC3CCCCC3N2C1=O,CI,0
CCOC(=O)c1c(SC)nc(-c2ccc(Cl)cc2)sc1=N.[O-][Cl+3]([O-])([O-])O,CI,0
N#Cc1c(-c2ccccc2)nc(-c2ccccc2)sc1=S,CI,0
N#CC(=C1N=C(c2ccccc2O)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1,CI,0
N#Cc1c(S)nc(-c2ccccc2)nc1SCc1ccccc1,CI,0
C[N+]1(C)CC[PH](c2ccccc2)(c2ccccc2)[Pd-2]12[N+](C)(C)CC[PH]2(c1ccccc1)c1ccccc1.[Cl-],CI,0
[Cl-].c1ccc([PH]2(c3ccccc3)CCN[Pt-2]23NCC[PH]3(c2ccccc2)c2ccccc2)cc1,CI,0
O=C(CCc1ccccc1)On1c(-c2ccccc2)nc2ccccc2c1=S,CI,0
O=C(CCc1ccccc1)ON1C(=S)C(c2ccccc2)(c2ccccc2)N=C1Sc1ccccc1,CI,0
O=C(CCc1ccccc1)ON1C(=S)NC(c2ccccc2)(c2ccccc2)C1=S,CI,0
Cc1nc2c(=O)n3c4c(cccc4c2o1)CCC3,CI,0
Cc1nc2c(=O)n(-c3ccccc3)c3ccccc3c2o1,CI,0
CC(=O)C=C1Nc2sc(C)c(C)c2C(=O)S1,CI,0
CCCCOC(=O)C1CN2C(=NC1(C(F)(F)F)C(F)(F)F)Sc1ccccc12,CI,0
CCCCOC(=O)C1CN2C=CC=NC2=NC1(C(F)(F)F)C(F)(F)F,CI,0
NC(Cc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
Cn1nc2ccc([N+](=O)[O-])c(Cn3nnc4ccccc43)c2n1,CI,0
COc1ccc(CC(CO)NC2=C(C#N)CCC2)cc1,CI,0
CC1(C)OCC(C(O)C2C=CC(=O)S2)O1,CI,0
CC(=O)OC1CCC2(C)C(=CC(c3ccc(O)cc3)C3C2CCC2(C)C(OC(C)=O)CCC32)C1,CI,0
CC1CCC(C(C)C)C(Oc2nnc(C3OC(CO)C(O)C3O)o2)C1,CI,0
O=C(OCC1OC(c2nn[nH]n2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1,CI,0
CCCCSC(=C(C#N)C(N)=O)c1cc2c([nH]1)CCCC2,CI,0
Nc1cnc2c(c1)c(=O)nc1n2CCS1,CI,0
Clc1ccc(C2=NCON=C2c2ccc(Cl)cc2)cc1,CI,0
CC(=O)N1CC(=O)N2C(=O)C(=Cc3ccc(Cl)cc3)N=C12,CI,0
CC(=O)NCC1OC2COC(c3ccccc3)OC2C2N=C(c3ccccc3)OC12,CI,0
CC(=O)NCC1OC2COC(c3ccccc3)OC2C(NC(=O)c2ccccc2)C1OC(=O)c1ccccc1,CI,0
CC1(C)OC2OC(C(COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])C(OC(=O)c3ccccc3)C2O1,CI,0
Nc1ncnc2c1ncn2C(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
Cc1cn(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O,CI,0
COc1cc(CC2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1,CI,0
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1,CI,0
N#Cc1nc(C=Cc2ccccc2)oc1N,CM,1
C(=NN=Cc1ccccn1)c1ccccn1,CI,0
CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1,CI,0
CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1,CI,0
CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1,CI,0
CC(=NN=Cc1ccccn1)C(C)=NN=Cc1ccccn1,CI,0
CC(=Nc1ccncc1)C(C)=Nc1ccncc1,CI,0
COc1ccc(N=C(C)C(C)=Nc2ccc(OC)cc2)cc1,CI,0
CCOc1cc2c(cc1O)C(=NNS(=O)(=O)c1ccc(C)cc1)CC1C2CCC2(C)C(O)CCC12,CI,0
CC1=[O+][Co-4]23(NCCN2CCNC(=O)c2cccc4nc5ccccc5nc24)([O+]=C(C)[C-]1C)[O+]=C(C)[C-](C)C(C)=[O+]3.[Cl-],CI,0
CC[N+](CC)(CC)CC.c1ccc2c(c1)[SH+][Bi+]1([SH+]2)[SH+]c2ccccc2[SH+]1,CI,0
CC[N+](CC)(CC)CC.c1ccc2c(c1)[SH+][Sb+]1([SH+]2)[SH+]c2ccccc2[SH+]1,CI,0
[Na+].c1ccc2c(c1)[SH+][Pb]1([SH+]2)[SH+]c2ccccc2[SH+]1,CI,0
[Na+].c1ccc2c(c1)[SH+][Sn]1([SH+]2)[SH+]c2ccccc2[SH+]1,CI,0
CC[N+](CC)(CC)CC.c1ccc2c(c1)[SH+][Tl-]1([SH+]2)[SH+]c2ccccc2[SH+]1,CI,0
[Na+].c1ccc([SH+][GeH2+]2[SH+]c3ccccc3[SH+]2)c([SH+][GeH2+]2[SH+]c3ccccc3[SH+]2)c1,CI,0
Cc1cn(C(C)OCCN(O)C(=O)Oc2ccccc2)c(=O)[nH]c1=O,CI,0
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CCN(CC)c1ccc2cc(C(=O)Nc3cccc4ccccc34)c(=N)oc2c1,CI,0
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CC(CCCN1CCN(C)CC1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.Cl,CI,0
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CCc1ccc2c(c1)C(=O)[OH+][Cu-3]13Oc4ccc(CC)cc4C(=O)[OH+][Cu-3](O2)(Oc2ccc(CC)cc2C(=O)[OH+]1)[OH+]C(=O)c1cc(CC)ccc1O3,CI,0
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COc1cccc2c1CCc1sc(CN3CCN(C)CC3)nc1-2.Cl,CI,0
CN1CCN(Cc2nc3c(s2)CCc2sccc2-3)CC1.Cl,CI,0
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CN(C)N=Nc1ccc2[nH]c(=O)[nH]c2c1,CI,0
Cc1csc(-n2nc(C)cc2C)n1,CI,0
CCOC(=O)c1nnsc1NC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)Nc2snnc2C(=O)OCC)c(=O)n(CCCCCCNC(=O)Nc2snnc2C(=O)OCC)c1=O,CI,0
SCCN1CCCN(CCS)CCC1,CI,0
C1C[N+]23CCC[N+]4(C1)CC[SH+][Pd-2]24[SH+]CC3,CI,0
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COc1ccc2c(c1)CCC1C2CCC2(C)C(=NOCCN3CCCCC3)CCC12.Cl,CI,0
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CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.OCCN1CCCC1,CI,0
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CC1CCC(C(C)C)C(OC(=O)c2c3n(c4ccccc24)CC2OC(C)(C)OC32)C1,CI,0
CN1CCCN(C)CCCN(C)CCCN(C)CCC1,CI,0
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COC1OC2COC(C)(C)OC2C2OC(C)(C)OC12,CI,0
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Cc1ccc(C2(c3ccc(Cl)cc3)c3ccccc3C3=NCCN32)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(F)cc2)cc1,CI,0
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CC(=O)NC1C(OCC(=O)N2CCCC2C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
CC(=O)NC1C(OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC2c3ccccc3Nc3cccc([N+](=O)[O-])c32)C(N)=O)C(C)C)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
CC(=O)NC1C(OCC(=O)NCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(O)C(CO)OC1(C)OCc1ccccc1,CI,0
COc1c2c(cc3occ(-c4ccc(CC=C(C)C)cc4)c(=O)c13)OC(C)(C)C=C2,CI,0
CC(=CC1CC(C2CCC34CC23C=CC2C3(C)CC=C5CC(c6ccccc6)OCC5(C)C3CC(O)C24C)C(=O)O1)CO,CI,0
CC=C1C2CC3C4=Nc5ccccc5C4(C2C(=O)OC)C2C(O)ON3C12,CI,0
COC(=O)C1=C2Nc3ccccc3CC23CCN2CCCC(C(C)OC(=O)C=C(C)C)(C1)C23,CI,0
CN(C)CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1c(O)ccc(O)c1C2=O.[Cl-],CI,0
CCN(CC)C1=[S+][Co-4]23(N=c4ccc(N(CCCl)CCCl)cc4=N2)([S+]=C(N(CC)CC)[SH+]3)[SH+]1.[O-][Cl+3]([O-])([O-])[O-],CI,0
CCN(CC)C1=[S+][Co-4]23(Nc4ccc(N(CCCl)CCCl)cc4N2)([S+]=C(N(CC)CC)[SH+]3)[SH+]1.[O-][Cl+3]([O-])([O-])[O-],CI,0
Nc1nc(NCc2ccccc2)cc(NCc2ccccc2)n1,CI,0
Oc1cc(NCc2ccncc2)nc(O)n1,CI,0
Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CI,0
N#Cc1c(N)c(-c2ccc(Cl)cc2)c(F)c2ccccc12,CI,0
COc1ccc(-c2cc(-c3ccccc3)nc(N)c2-c2ccc3ccccc3c2)cc1,CI,0
c1ccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)c2)cc1,CI,0
c1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)n2)cc1,CI,0
Oc1ccc(-c2nc(-c3ccc4ccccc4n3)c(-c3ccc(F)cc3)[nH]2)cc1,CI,0
Br.CN(C)CCNc1nc(-c2ccc3ccccc3c2)nc2[nH]cnc12,CI,0
CN(C)CCNc1ncnc2[nH]c(-c3ccc4ccccc4c3)nc12.Cl,CI,0
Br.CN(C)CCNc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12,CI,0
CN(C)CCc1ccnc2nc(-c3ccc4ccccc4c3)cn12.I,CI,0
COc1cccc2c1CCc1c(-c3ccc(F)cc3)cc(-c3ccc4ccccc4n3)nc1-2,CI,0
COc1ccc(-c2cc(-c3ccncc3)nc(N)c2-c2ccc(F)cc2)cc1,CI,0
Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1,CI,0
Cc1cc(C)n(-c2nc(-c3ccccc3)cs2)n1,CI,0
CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3snnc3C(=O)OCC)cc2)cc1,CI,0
CC(CCc1ccccc1)NCC(O)n1c(N=NN(C)C)nc2c1c(=O)n(C)c(=O)n2C,CI,0
CC(C(O)c1ccccc1)N(C)N=Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CI,0
O=C(NNc1nc(-c2ccccc2)cs1)Nc1ccccc1,CI,0
Br.N=c1sc(N2CCOCC2)nn1CC(=O)c1ccccc1,CI,0
c1ccc(-c2cn3nc(N4CCOCC4)sc3n2)cc1,CI,0
CN1C(=O)C(C=NNC(=O)c2cccnc2)C(N)N(C)C1=O,CI,0
CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC1CO1,CI,0
CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cl)cc1,CI,0
O=C(NCc1ccccc1)c1nn[nH]c1O.[NaH],CI,0
NC(=O)C1N=NSC1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CCCCCCCCCCCCCC=CC1C(C(=O)OC)N1S(=O)c1ccc(C)cc1,CI,0
COC(=O)C(C)N(C)C(=O)C(C)N1C(c2ccccc2)COC1(C)C,CI,0
COC(=O)C(C)(Cc1ccccc1)NC(=O)C(C)N1C(c2ccccc2)COC1(C)C,CI,0
CC(C)(CC1=CC(=O)C=CC1=O)Cc1ccccc1,CI,0
N#CC1(C#N)NC(c2ccsc2)C2C(=O)N(c3ccccc3)C(=O)C21,CI,0
COC(=O)C1OS(=O)(=O)OC1C(=O)OC,CI,0
CC1CN(S(=O)(=O)c2cccc3cnccc23)CCN1,CI,0
O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-],CI,0
O=C1C(O)=C(c2ccccc2)S(=O)(=O)C1c1ccccc1,CI,0
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C,CI,0
O=[N+]([O-])c1ncn(S(=O)(=O)c2cccc3cccnc23)n1,CI,0
Cc1cc(C)cc(N(C2C3CCC(C)(C2O)C3(C)C)S(=O)(=O)c2ccccc2)c1,CI,0
O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CI,0
C1CN2CN3CN4CCN5CN6CN1[Cu-5]524([SH+]c1nnc6s1)[SH+]c1nnc3s1,CI,0
C1CN2CN3CN4CCN5CN6CN1[Ni-4]524([SH+]c1nnc6s1)[SH+]c1nnc3s1,CI,0
Brc1ccc(-c2csc3c2-n2cccc2C3=[N+]2CCCC2)cc1.O=P([O-])(Cl)Cl,CI,0
C[N+]12C=CC=C1C(N1CCCC1)c1sc(-c3ccc(Cl)cc3)cc12.[I-],CI,0
Cc1sc2c(c1C)C(=NO)c1cccn1-2,CI,0
Cc1sc2c(c1C)C(=O)c1cccn1-2,CI,0
Cc1csc2c1-n1cccc1C2=O,CI,0
O=C1c2cc(Cl)ccc2-n2c(noc2=O)C2CSCN12,CI,0
O=C1c2cc(Cl)ccc2-n2cnnc2C2CSCN12,CI,0
O=C1c2cc(Cl)ccc2N=C(NC2CCCC2)C2CSCN12,CI,0
O=C1c2ccccc2-n2nnnc2C2CSCN12,CI,0
CC1(C)CCCC2(C)C1CCC1(CO1)C2C=CC(C=O)CC=O,CI,0
CCOC(=O)C1CN(C2CC2)CCC1=O,CI,0
CC1(c2ccccc2)CCN(C2CC2)CO1.Cl,CI,0
C[N+]1([O-])CCC(O)(C2CC2)CC1,CI,0
N#CC1(c2ccccc2)CCN(C2(c3ccccc3)CCCCC2)CC1,CI,0
CN1CC=C(c2cccn2C)CC1.O=C(O)C(=O)O,CI,0
CC(Cc1ccc2c(c1)OCO2)N(C)C(=O)C1=CCN(C)CC1,CI,0
O=C1CCCNn2c(nc3ncccc3c2=O)N1,CI,0
O=C1CCCn2c(nc3ccccc32)N1,CI,0
CC1=Nc2nc3ccccc3n2C(C)(C)C1,CI,0
c1ccc(C2=Nc3nc4ccccc4n3C(c3ccccc3)C2)cc1,CI,0
CC1CC(c2ccccc2)Nc2nc3ccccc3n21,CI,0
O=C1CC(c2ccccc2)n2c(nc3ccccc32)N1,CI,0
Oc1c(Cc2ccccc2)c(-c2ccccc2)nn1C1=NCCN1,CI,0
Cc1c(-c2ccccc2)nn(C2=NCCN2)c1O,CI,0
Cc1nn(C2=NCCN2)c(O)c1Cc1ccccc1,CI,0
Cc1nn(C2=NCCN2)c(O)c1C,CI,0
CN1CC2CN(Cc3ccccc3)CCN2c2cccnc21,CI,0
CN1C(=O)C2C(=O)N(Cc3ccccc3)CC(=O)N2c2cccnc21,CI,0
OC1C(Cn2nnc(-c3ccccc3)c2-c2ccccc2)OCOC(Cn2nnc(-c3ccccc3)c2-c2ccccc2)C1O,CI,0
Cc1ccc(S(=O)(=O)N2CCCCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3OCCOCCOc3c4cccc3Cc3cccc5c3OCCOCCOc3ccccc3CN(S(=O)(=O)c3ccc(C)cc3)CCCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3OCCOCCOc3c(cccc3C4)Cc3cccc(c3OCCOCCOc3ccccc3C2)C5)cc1,CI,0
CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ncccn2)CC1,CI,0
CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ccccc2)CC1,CI,0
CC1(C)SC(CN)NC1C(=O)OC(c1ccccc1)c1ccccc1,CI,0
O=C1c2ccccc2C(=O)C23OC12C(O)C1OC1C31Oc2cccc3cccc(c23)O1,CI,0
Cc1ccc2c(C=Cc3ccc(N(C)C)cc3)ccc(C(C)C)cc1-2,CI,0
COc1ccc2nc(NC(=O)C(C#N)=Cc3ccccc3)sc2c1,CI,0
N#CC(=Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1,CI,0
ONC1=Nc2ccccc2OCc2cc(Br)c(Br)cc2COc2ccccc2N=C1NO,CI,0
O=[N+]([O-])c1ccc(-c2csc3nc(-c4ccccc4)nn23)cc1,CI,0
OC1(c2ccccc2)CSc2ncnn21,CM,1
Cc1n[nH]c(=O)n1N=CCCC=Nn1c(C)n[nH]c1=O,CI,0
NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(CCCCNC(=O)NCCCCC(NC(=O)C(N)Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH],CI,0
NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH],CI,0
NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH],CI,0
O=S(=O)(O)C(=Nc1cccc(Cc2ccccc2)c1)Nc1cccc(Cc2ccccc2)c1,CI,0
O=C(Nc1cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)c1)c1cccc(C(=O)Nc2cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)c2)c1.[NaH],CM,1
CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[O+]=C(C)[C-](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-],CI,0
C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccc([N+](=O)[O-])cc1.[Cl-],CI,0
Cc1ccc(S(=O)(=O)NC(CCC(=O)NNc2ccccc2)C(=O)NNc2ccccc2)cc1,CI,0
CC(=O)OC1C(OCc2cc(=O)oc3c4c(c5c(c23)OC(C)(C)CC5)OC(C)C(C)C4O)OC(CO)C(O)C1O,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(OC(=O)c1ccc(Br)cc1)C4OC(=O)c1ccc(Br)cc1)OC(C)C(C)C3OC(=O)c1ccc(Br)cc1,CI,0
COC(=O)C1COC(C(C)(C)C)N1C(=O)N1C=CC(=O)CC1C,CI,0
O=C1C2=Cc3ccccc3OC2(O)Oc2cc3ccccc3cc21,CI,0
CC(=O)[O-].Cc1c2c(c(C)c3c[n+](C)ccc13)Oc1ccccc1O2,CI,0
N#CC1(C#N)NC(c2cccnc2)C(C#N)(C#N)NC1c1cccnc1,CI,0
O=C(NCCCCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CI,0
O=C(NC1CCC(CC2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)CC1)c1cc(O)c(O)c(O)c1,CI,0
O=C(NCCCCCCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CI,0
Cc1ccc(O)c(C(c2ccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)cc2)c2cc(C)ccc2O)c1,CI,0
Cc1ccc(O)c(C(c2cccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)c2)c2cc(C)ccc2O)c1,CI,0
COc1cc(-c2cc(-c3ccccc3)nc(-c3c(OC)ccc4c(C)cc(=O)oc34)c2)cc(OC)c1OC,CI,0
COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cc(-c3cc4ccccc4oc3=O)n2)cc1,CI,0
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C2(C)CC3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12,CI,0
CCOC(=O)C1=NN(c2ccc(C)cc2)C2(c3ccccc3)C=C(c3ccccc3)N(C)CCN12,CI,0
CC1=C(C#N)C2C(=C(N)Oc3ccccc32)C(=N)N1,CI,0
COC(=O)C1=C(N)C2=C(N)Oc3ccccc3C2CC1=C(C#N)C#N,CI,0
CC(=O)OC1=c2ccccc2=C(O)C2C1C=NN2C(C)=O,CI,0
O=c1c2cnccc2cc2c3ccccc3ccn12,CI,0
CCOC(=O)c1cnccc1CC1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1,CI,0
Cl.O=C(C=Cc1cc2ccccc2o1)N1CCN(c2ccccn2)CC1,CI,0
COc1ccc(C2(C3c4cc(OC)c(OC)cc4CCN3C)SCCCS2)cc1O,CI,0
COC(=O)C1(C#N)C(C)(C)N=C(c2ccccc2)C12CCCCC2,CI,0
Cn1cc(-c2ccc(CCOC3CCCCO3)cc2)c2c(C#N)cccc21,CI,0
O=C1NCCN1N=Cc1c(Cl)n(-c2ccccc2)c2ccccc12,CI,0
COP(=O)(OC)C1=c2c(C)noc2=C2C=COC2C1=O,CI,0
CCOC(=O)CC1C2(C=CC13OCC(C)(C)CO3)CO2,CI,0
O=c1cc(N2CCOCC2)n2c(ccc3ccccc32)n1,CI,0
O=c1cc(N2CCNCC2)nc2ccccn12,CI,0
CCOC(=O)N1CCN(c2nc(C)n(-c3ccccc3)c(=S)c2C#N)CC1,CI,0
N#CC1=C(N2CCOCC2)CCC1,CI,0
NC1N=C(c2ccc(Cl)cc2)C2=C(N1)c1ccccc1CC2,CI,0
S=C1NC2=C(COc3ccccc32)C(c2ccc(Cl)cc2)N1,CI,0
Clc1ccc(C2NN=C3c4ccccc4OCC32)cc1,CI,0
C1=Nc2ccc(cc2)-c2ccc(cc2)N=Cc2ccccc2OCc2cccc(n2)COc2ccccc21,CI,0
C1=Nc2ccc(cc2)N=Cc2ccccc2OCc2cccc(n2)COc2ccccc21,CI,0
C1=NCCNCCN=Cc2ccccc2OCc2cccc(n2)COc2ccccc21,CI,0
Br.Cc1cn2cc(-c3cccs3)nc2s1,CI,0
Cc1ccc(S(=O)(=O)n2ccc(-c3ccc4ccn(S(=O)(=O)c5ccc(C)cc5)c4c3)c2)cc1,CI,0
O=C1C2=C(CC3=C(C2)CS(=O)(=O)C3)C(=O)C2=C1CC1=C(C2)CS(=O)(=O)C1,CI,0
CN(C)CC1CN(C(=O)Nc2ccccc2)C(=N)O1,CI,0
CN(C)CC1CN=C(NC(=O)Nc2ccccc2)O1,CI,0
C1COCCOP2(N3CC3)=NP(N3CC3)(=NP(N3CC3)(N3CC3)=N2)OCCOCCO1,CI,0
CC1=C2C3=C(C)C(=O)C(C)(C)CCC3(C)C2(C)CCC(C)(C)C1=O,CI,0
Cc1ccc(C2=NOC(=O)C3CCCCC23)cc1,CI,0
COC(Cc1cc(C(O)(c2ccc(C(C)(C)C)cc2)c2cc(CC(OC)(c3cc(C(OC)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c(C)cc3C)c3cc(C(OC)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c(C)cc3C)c(C)cc2C)c(C)cc1C)(c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C)c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C,CI,0
COC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C(O)(c2cc(C(OC)(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c2cc(C(OC)(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c(C)cc1C,CI,0
O=C1Cc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc2-c2ccccc2N1,CI,0
O=C1Cc2c(-c3cccs3)cc(-c3ccccc3)nc2-c2ccccc2N1,CI,0
O=C1CC2(CCC(O)(c3cccc4ccccc34)C(C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1,CI,0
O=C1CC2(CCC(O)(c3ccc4ccccc4c3)C(C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1,CI,0
O=C1CC2(CCC(O)(c3ccco3)C(C(=O)c3ccco3)C2)C(=O)c2ccccc2N1,CI,0
O=C1CC2(CCC(O)(c3cccs3)C(C(=O)c3cccs3)C2)C(=O)c2ccccc2N1,CI,0
O=C(c1ccccc1)n1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O,CI,0
CCc1n[nH]c(=O)n1N1C(=O)C2CCCCC2C1=O,CI,0
Cc1n[nH]c(=O)n1N1C(=O)CCCC1=O,CI,0
CC1(C)Oc2ccc3c(=O)cc(-c4cccs4)oc3c2C1C(=O)O,CI,0
CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2C1C(=O)O,CI,0
CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2C1C(=O)O,CI,0
N[Pt-2](N)([n+]1ccsc1)[n+]1ccsc1.O=[N+]([O-])[O-],CI,0
[Cl-].c1c[n+]([Pt-2]2([n+]3ccsc3)NCCN2)cs1,CI,0
Cn1cc[n+]([Pt-2]([n+]2ccn(C)c2)([n+]2ccn(C)c2)[n+]2ccn(C)c2)c1.[O-][Cl+3]([O-])([O-])[O-],CI,0
Cn1cc[n+]([Pt-2]23[n+]4ccccc4-c4cccc([n+]42)-c2cccc[n+]23)c1.[O-][Cl+3]([O-])([O-])[O-],CI,0
Cn1cc[n+]([Pt-2]2([n+]3ccn(C)c3)[n+]3ccccc3-c3cccc[n+]32)c1.[O-][Cl+3]([O-])([O-])[O-],CI,0
Cn1cc[n+]([Pt-2]2([n+]3ccn(C)c3)NCCN2)c1.[Cl-],CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1.N,CA,1
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1.N,CA,1
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CI,0
COC(=O)C(Cc1ccccc1)NC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-],CI,0
O=c1oc2ccccc2c(O)c1Cc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4=O)OC(C)C(C)C3O,CI,0
c1ccc(-c2cc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)nn2-c2ccccc2)cc1,CI,0
O=C(Cc1ccccc1)NN=C1C(=O)Nc2ccccc21,CI,0
O=C1NC(=O)c2ccccc2C1=Cc1ccc2c(c1)OCO2,CI,0
Cn1nc2ccc([N+](=O)[O-])c[c-]2[n+]1=O,CI,0
CC12CCC(C(=O)n3c1nc1ccccc13)C(C)(C)O2,CI,0
ClC1(Cl)C2CCOC21n1cnc2ccccc21,CI,0
Cl.Clc1cc2nc(C3CCCO3)[nH]c2cc1Cl,CI,0
Oc1nc(NCc2ccncc2)nc2[nH]cnc12,CI,0
Oc1nc(NCc2cccnc2)nc2[nH]cnc12,CI,0
CN1C(=CC=CC=CC=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21,CM,1
CCN1C(=O)C(=CC=CC=C2N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S,CI,0
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccc3ncn(C)c(=O)c23)n1,CI,0
CN1CCN(C2=C(Cl)C3(OCCS3)C(F)(F)C2(F)F)CC1,CI,0
Clc1nncc2sc(-c3ccccc3)nc12,CI,0
CCCCC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1CCN42,CI,0
CCC1C2OC(=O)C(C)C2C2(O)CC(C3CC(C)C(=O)O3)N3CCCCC12C3=O,CI,0
COc1ccc(N=C(Nc2ccc(OC)cc2)C(=Nc2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1,CI,0
Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pd-2]([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)[n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F,CI,0
C1=CC2=[N+]3C1=C(c1ccccc1)C1=CC=C4C(c5cc[n+]([Pt-2]([n+]6ccc(C7=C8C=CC9=[N+]8[Zn-2]8%10[N+]%11=C(C=CC%11=C(c%11ccccc%11)C%11=CC=C7[NH+]%118)C(c7ccccc7)=C7C=CC(=C9c8ccccc8)[NH+]7%10)cc6)([n+]6ccc(C7=C8C=CC9=C(c%10ccccc%10)C%10=[N+]%11C(=C(c%12ccccc%12)C%12=CC=C%13C(c%14ccccc%14)=C%14C=CC7=[N+]%14[Zn-2]%11([NH+]%12%13)[NH+]98)C=C%10)cc6)[n+]6ccc(C7=C8C=CC9=C(c%10ccccc%10)C%10=[N+]%11C(=C(c%12ccccc%12)C%12=CC=C%13C(c%14ccccc%14)=C%14C=CC7=[N+]%14[Zn-2]%11([NH+]%12%13)[NH+]98)C=C%10)cc6)cc5)=C5C=CC6=[N+]5[Zn-2]3([NH+]14)[NH+]1C(=C2c2ccccc2)C=CC1=C6c1ccccc1.O=S(=O)([O-])C(F)(F)F,CI,0
Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pt-2]([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)[n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F,CI,0
Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pt-2]4([n+]5ccc(-c6c7ccc(n7)c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7ccc(n7)c(-c7ccc(C)cc7)c7ccc6[nH]7)cc5)[PH](c5ccccc5)(c5ccccc5)CCC[PH]4(c4ccccc4)c4ccccc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F,CI,0
Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pd-2]4([n+]5ccc(-c6c7ccc(n7)c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7ccc(n7)c(-c7ccc(C)cc7)c7ccc6[nH]7)cc5)[PH](c5ccccc5)(c5ccccc5)CCC[PH]4(c4ccccc4)c4ccccc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F,CI,0
C[n+]1cccc2ccc(OC(=O)c3ccccc3)cc21.[I-],CI,0
CN1C(=O)c2ccccc2C2(O)c3ccccc3-c3ccccc3C12O,CI,0
CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1,CI,0
COCC1C(=O)NCC(=O)N2N=CCCC2C(=O)N(O)C(C)C(=O)OC(C(C)C)C(NC(=O)C(C)(O)C2(O)CCC(CC(C)C)C(C)O2)C(=O)N2NCCCC2C(=O)N1O,CI,0
CC1=CC2(O)OC3(CC2=C(C)C)C(C)CCC13,CI,0
C=C1C(OC(=O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(C)(C)C2OC2C(C)C(=O)C2(OC(C)=O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(C)=O,CI,0
C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2C=C(C(=O)O2)C2OC12,CI,0
CCC1(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc2C1=O,CA,1
CC(C)C(C)C=CC(C)C1CC2C3=CC=C4CC(OC5OCC(O)C6OC(=O)C(=O)OC56)CCC4(C)C3CCC2(C)C1,CI,0
CC1Oc2c3c(cc(O)c2C(=O)C1C)OC(C)(C)CC3,CI,0
COc1cc2c(c3c1C(=O)C(C)C(C)O3)C=CC(C)(C)O2,CI,0
COc1cc2c(c3oc(C)c(C)c(=O)c13)C=CC(C)(C)O2,CI,0
COc1c2c(cc3oc(C)c(C)c(=O)c13)OC(C)(C)C=C2,CI,0
COCn1cnc2c(=O)nc(SC)n(-c3ccccc3)c21,CI,0
O=c1c2ncn(C3CCCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
CC12CCC(=O)OC1CCCCO2,CI,0
CC(C)CCC1(O)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4CCC3(C)C2C1C,CI,0
CC(C)CCC1(O)OC2CC3C4CCC5CC(=O)C=CC5(C)C4CCC3(C)C2C1C,CI,0
N=c1ccn(C2CCC(CO)O2)c(=S)[nH]1,CI,0
Cc1c2c(c(C)n1-c1ccccc1)C(=O)N(CCCCN1CCN(c3ccccc3)CC1)C2=O,CI,0
CCCCn1c(C)c2c(c1C)C(=O)N(CCN1CCN(c3ccccc3Cl)CC1)C2=O,CI,0
Cn1ncc(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1=O,CI,0
O=C1C(S(=O)(=O)c2ccccc2)=C(CS(=O)(=O)c2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1,CI,0
Cc1ccc(S(=O)(=O)N2CCN3CCN(CCN(C)CCN4CCN(CC4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN4CCN(CCN(C)CCN5CCN(CC5)CCN(S(=O)(=O)c5ccc(C)cc5)CCN(S(=O)(=O)c5ccc(C)cc5)CCN(S(=O)(=O)c5ccc(C)cc5)CC2)CC4)CC3)cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCN(CCN(C)CCN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1,CI,0
O=C(N(O)c1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1,CI,0
O=C1N=C(NN=Cc2ccccc2)C2(CCCCC2)O1,CI,0
O=C1N=C(NN=Cc2ccccc2)C(c2ccccc2)O1,CI,0
CC1=CCC(C)=Nc2nc3ccccc3n21,CI,0
c1ccc2c3c(ccc2c1)CSCc1ccc2ccccc2c1-3,CI,0
Cc1nc2ccccc2n1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl,CI,0
Clc1ccc(C(OCn2ccnc2)c2nc3ccccc3[nH]2)c(Cl)c1,CI,0
O=C1c2[nH]c3ccc(Br)cc3c2CCN1Cc1ccc(Cl)cc1,CI,0
CCCCCN1CCN(c2ncccn2)CC1.Cl,CI,0
N#Cc1c2c(c(N3CCOCC3)n3c1nc1ccccc13)CCCC2,CI,0
Cc1cc2c(cc1C)N1C(Cl)=C3CCCCC3=C(C#N)C1N2,CI,0
N#CC1(C#N)C2CCCCC23OC(=N)C1(C#N)C(c1ccccc1)O3,CI,0
N#CC1(C#N)C2CCCCC23OC(=N)C1(C#N)C(c1ccco1)O3,CI,0
CC1C2(C)OC(=N)C(C#N)(C(c3ccco3)O2)C1(C#N)C#N,CI,0
COC1(OC)NC(=N)C2(C#N)C(=NN(C)C)CC(C)C12C#N,CI,0
CN(C)N1C(=C(C#N)C#N)C(c2ccccc2)CC1C#N,CI,0
CN(C)N=C1CC(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N,CI,0
CC1CC(=O)N(N(C)C)C2(C#N)C(=O)NC(=N)C12C#N,CI,0
CCCCN1C(=N)C2(C#N)C(CCC)C(CC)C1C2(C#N)C#N,CI,0
COC1(OC)NC(=N)C2(C#N)C(C)=C3NCN(C)N=C3C12C#N,CI,0
CC1=C2NCN(C)N=C2C(C#N)(C#N)C1(C#N)C#N,CI,0
COC1(OC)NC(=N)C2(C#N)C(C)CC(=O)N(N(C)C)C12C#N,CI,0
CC1CC(NN(C)C)C2(C(N)=O)C(=N)NC(=O)C12C#N,CI,0
CCOC(=O)C1C(c2ccccc2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N,CI,0
CCOC(=O)C1C(c2ccco2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N,CI,0
N#Cc1c(C#N)c(-c2ccco2)n(N=Cc2ccco2)c1N,CI,0
N#Cc1c(C#N)c(-c2ccccc2)n(N=Cc2ccccc2)c1N,CI,0
N#Cc1c(C#N)c(-c2ccccc2)n(Cc2ccccc2)c1N,CI,0
N#CC1=C(N)N(N=Cc2ccco2)C(c2ccco2)C1(C#N)C#N,CI,0
N#CC1=C(N)N(N=Cc2ccccc2)C(c2ccccc2)C1(C#N)C#N,CI,0
N#CC1=C(N)N(c2ccccc2)C(c2ccco2)C1(C#N)C#N,CI,0
N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccc(C(=O)N(CCc2ccccc2)C(C#N)c2ccccc2)cc1,CI,0
N#CC(c1ccccc1)N(CCOCCOCCN(C(=O)c1cccc2ccccc12)C(C#N)c1ccccc1)C(=O)c1cccc2ccccc12,CI,0
N#CC(c1ccccc1)N(CCOCCOCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1,CI,0
N#CC(c1ccccc1)N(CCCCCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1,CI,0
CC1=NC(=O)C(C)(c2ccccc2)N1CCc1ccccc1,CI,0
CCC1(c2ccccc2)C(=O)N=C(c2ccccc2)N1CCc1ccccc1,CI,0
CCCCCCN(C(=O)Oc1ccccc1)C(C#N)c1ccccc1,CI,0
COc1ccc(C(C#N)NCCCCCCNC(C#N)c2ccc(OC)cc2)cc1,CI,0
N#CC(NCc1cccc(CNC(C#N)c2ccccc2)c1)c1ccccc1,CI,0
N#CC(NCCc1ccccc1)c1ccc(C(C#N)NCCc2ccccc2)cc1,CI,0
Cc1ccc(Nc2nc(O)c3cc[nH]c3n2)cc1,CI,0
CCC1(CC=C(C)C)Oc2ccccc2-n2cccc2C1=O,CA,1
O=C(C=CC(=O)N1CCCC1)N1CCCC1,CI,0
COC12CCCN1c1ccn(Cc3ccccc3)c(=O)c1C2=O,CI,0
CC(C)(C)OC(=O)C1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21,CI,0
O=C(NNC(=S)Nc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1,CI,0
O=C(NNC(=S)NCc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1,CI,0
O=C(NNC(=S)NC1CCCCC1)c1csc(NC(=S)NC2CCCCC2)n1,CI,0
CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1,CI,0
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)Nc2ccccc2)cs1,CM,1
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCc2ccccc2)cs1,CI,0
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NC2CCCCC2)cs1,CI,0
O=C(NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1)c1ccccc1,CI,0
O=C(NNS(=O)(=O)c1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1,CM,1
CCCCNC(=S)Nc1nc(C(=O)NNC(=O)c2ccccc2)cs1,CI,0
CCCCNC(=S)Nc1nc(C(=O)NNS(=O)(=O)c2ccccc2)cs1,CI,0
COc1ccc2c(c1)OCC1Cc3cc4c(cc3OC21)OCO4,CI,0
O=C(CN1CCOCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2,CI,0
O=C(CN1CCCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2,CI,0
O=C(CN1CCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2,CI,0
COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1,CI,0
CCNc1ccc(-c2ccccc2)nc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1c(O)ccc2ccccc12,CM,1
O=c1[nH]nc(-c2ccccc2)n1-n1cnnc1,CI,0
CCc1n[nH]c(=O)n1CCCCCCCCCCCCn1c(CC)n[nH]c1=O,CI,0
CCc1n[nH]c(=O)n1CCCCCCCCn1c(CC)n[nH]c1=O,CI,0
O=C1C2CCCCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O,CI,0
O=C1C2CC=CCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O,CI,0
CCc1n[nH]c(=O)n1N1C(=O)C2CC=CCC2C1=O,CI,0
CC1(C)C2CC1C(Cc1ccccc1CC1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12,CI,0
CC1(C)C2CC1C(Cc1cccc(CC3c4cc(-c5ccccn5)ncc4C4CC3C4(C)C)c1)c1cc(-c3ccccn3)ncc12,CI,0
CC1(C)C2CC1C(Cc1ccc(CC3c4cc(-c5ccccn5)ncc4C4CC3C4(C)C)cc1)c1cc(-c3ccccn3)ncc12,CI,0
CN(Cc1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc2[nH]3)cc1,CI,0
COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc2[nH]3)cc1,CI,0
O=S(=O)(Nc1ccccc1)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc2[nH]3)cc1,CI,0
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl,CI,0
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl,CI,0
Clc1cc(OC2C3CC4CC(C3)CC2C4)nc(Cl)n1,CI,0
Clc1cc(OC23CC4CC(CC(C4)C2)C3)nc(Cl)n1,CI,0
O=C(Nn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(Cn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,CI,0
Oc1cc(CNC2CCCC2)nc(O)n1,CI,0
Oc1cc(CNC2CC3CCC2C3)nc(O)n1,CI,0
Clc1cc(OCC23CC4CC(CC(C4)C2)C3)nc(OCC23CC4CC(CC(C4)C2)C3)n1,CI,0
Cc1csc2c(P(=O)(OC(C)C)OC(C)C)c(-c3ccccc3)cn12,CI,0
Cc1cn2c(C)csc2c1P(=O)(OC(C)C)OC(C)C,CI,0
N=C1NCC(CN2CCCC2)O1,CI,0
N=C1NCC(CN2CCOCC2)O1,CI,0
O=C1CC(c2ccco2)C2(C(=O)NC(=O)NC2=O)C(c2ccco2)C1,CI,0
O=C1CC(c2ccco2)C2(C(=O)CCCC2=O)C(c2ccco2)C1,CI,0
COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)CCCC3=O)cc1,CI,0
CCCCCCOC(=O)c1[nH]c(=O)n(CCCCCC)c(=O)c1NC(=O)CNc1ccc2c(=O)c3ccccc3[nH]c2c1,CI,0
Nc1c(O)nc(O)nc1C(=O)OCc1ccccc1,CI,0
Cc1cc(-n2nnc(C(=O)O)c2-c2ccccc2)c2ccc(Cl)cc2n1,CI,0
Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccnc2cc(C(F)(F)F)ccc12,CI,0
O=c1c2c3c(sc2nc2n1NC=NN2)CCCC3,CI,0
CC1=Nn2c(nc3sc4c(c3c2=O)CCCC4)SC1,CI,0
O=C(Cn1nc(Br)c(Br)c1Br)c1ccccc1,CI,0
N#CC(c1ccccc1)(c1ccccc1)C(c1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1,CI,0
N=C1N(S(=O)(=O)c2ccccc2)C(Cc2ccccc2)C(c2ccccc2)C1(c1ccccc1)c1ccccc1,CI,0
COC(=O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C(=O)OC)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.COC(=O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C(=O)OC)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
CSC1=C(C)SC(=Cc2ccc(C=C3SC(C)=C(SC)S3)cc2)S1,CI,0
CCSc1sc(=Nc2ccc(N=c3sc(C)c(SC)s3)cc2)sc1-c1ccc(C)cc1,CI,0
C1CCC2(CC1)OCC1OC(OC3OC4COC5(CCCCC5)OC4C4OC5(CCCCC5)OC34)C3OC4(CCCCC4)OC3C1O2,CI,0
O=C1C(Br)=C(C2=CC(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)C(=O)C(Br)=C1C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1,CI,0
Cl.O=C(O)C(CCCC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C(=O)OCc1ccccc1)NC(c1ccccc1)C(O)c1ccccc1,CI,0
O=C1C2C(c3ccccc3)C2(Cl)C(=O)C2C(c3ccccc3)C12Cl,CI,0
CC=CC1C2C(=O)C3(Cl)C(C=CC)C3C(=O)C12Cl,CI,0
COC(=O)C=C1N=C(N(C)N=Cc2ccccc2)NC1=O,CI,0
COC(=O)c1ccc(NCC2=CC(=O)c3ccccc3C2=O)cc1,CI,0
Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O,CI,0
O=c1c2c(no[n+]2[O-])c2ccccc2n1-c1ccccc1,CI,0
Cn1c(=O)c2c(no[n+]2[O-])c2ccccc21,CI,0
Cn1c(=O)[c-]2c(no[n+]2=O)n(C)c1=O,CI,0
O=c1c2c(-c3ccccc3)onc2n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0
O=c1c2nc(-c3ccccc3)oc2n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0
Cc1nc2c(=O)n(C)c(=O)n(C)c2o1,CI,0
CCCCC1(N=[N+]=[N-])C(=O)C2C=CC=C3c4ccccc4N(C1=O)C32,CI,0
O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0
Cn1c(=O)c2c(-c3ccccc3)onc2n(C)c1=O,CI,0
Cc1nc2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2o1,CI,0
[N-]=[N+]=NC1=C(C(=O)c2ccccc2)C(=O)c2cccc3cccc1c23,CI,0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCNC2=O)c(S)cc1Cl,CA,1
Cc1cc(S(=O)(=O)N2CCNC2=O)c(S)cc1Cl,CM,1
C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(=O)CCCCCCC)CC1=O,CI,0
C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3=O)C(C)C(=O)O,CI,0
C=C1CC2C(C)C(=O)CCC2(C)C2=C1C1CCC(C(C)CCC(=C)C(C)C(=O)O)C1(C)CC2=O,CI,0
N#Cc1ccc(-c2nc3c(N)nc(-c4ccccc4)nc3o2)cc1,CI,0
Nc1nc(-c2ccccc2)nc2oc(-c3cccs3)nc12,CI,0
Cl.O=C(C=Cc1ccccc1)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1,CI,0
O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2nc1NCc1ccc(Cl)c(Cl)c1,CI,0
c1ccc(CCN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1,CI,0
O=C(OCc1ccccc1)N1CCNCCNCC1,CI,0
CC(C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)OC(c2ccccc2)C1c1ccccc1,CI,0
Brc1c2c(c(Br)c3nsnc13)N=S=N2,CI,0
Cn1c(=NN=C2C=C3CCCCC3(C)CC2)sc2ccccc21,CI,0
C=CCn1c(-c2ccc(-c3csc(=NN=O)n3CC=C)cc2)csc1=NN=O,CI,0
O=c1ccn(CC=Cc2ccccc2)c(=S)n1CC=Cc1ccccc1,CI,0
CC1(C)C(C(=O)O)N2C(=O)C(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2S1(=O)=O.[NaH],CI,0
COC(=O)C1COC(C(C)(C)C)N1C(=O)C(c1ccccc1)c1ccccc1,CI,0
CC(=O)N1NC(=N)CC1=O,CI,0
CC1=NN(C(=O)c2ccncc2)C(=O)C1,CI,0
O=c1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)oc2ccccc12,CI,0
Cc1c(OCc2cccc3ccccc23)ccc2c(=O)cc(SCCN3CCOCC3)oc12,CI,0
Cc1c(OCc2cccc3ccccc23)ccc2c(O)cc(=S)oc12,CI,0
CN(C)c1nc2n(CCO)ccnc-2c(=O)n1,CI,0
Nc1ncnc2c1ncc(=O)n2C1CC(O)C(CO)O1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc3ccc4ccccc4c3nc12,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc3cc4ccccc4cc3nc12,CI,0
N=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc(-c3ccc(-c4ccccc4)cc3)cnc12,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2nc(-c3ccc(-c4ccccc4)cc3)cnc12,CI,0
N=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12,CI,0
CC(C)[Si]1(C(C)C)OCC2OC(n3ccc(=O)[nH]c3=O)C([Se]c3ccccc3)C2O[Si](C(C)C)(C(C)C)O1,CI,0
CC(C)[Si]1(C(C)C)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)(CO)C2O[Si](C(C)C)(C(C)C)O1,CI,0
N=C1NC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O1,CI,0
COc1ccc(C(OCC2OC3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)C(Oc4nc(=O)ccn43)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
CC(C)[Si]1(C(C)C)OCC2OC(N3C(=O)NC(=O)CC3C(O)c3ccccc3)CC2O[Si](C(C)C)(C(C)C)O1,CI,0
CC(C)[Si]1(C(C)C)OCC2OC(n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)CC2O[Si](C(C)C)(C(C)C)O1,CI,0
CCCCc1ccc(Nc2nc(Cl)c3ccn(C4CC(Oc5ccc(C)cc5)C(COc5ccc(C)cc5)O4)c3n2)cc1,CI,0
Cc1ccc(OC2CC(n3cnc4c(O)nc(Br)nc43)OC2Oc2ccc(C)cc2)cc1,CI,0
CCc1ccc(Nc2cc(O)nc(SCc3ccccc3)n2)cc1,CM,1
CCc1ccc(Nc2cc(=O)n(C)c(SCc3ccccc3)n2)cc1,CI,0
COC(=O)c1ccc(C=CC2=CC(=O)C=CC2=O)cc1,CI,0
O=C(NC(c1ccccc1)C(O)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0
COc1ccc(C(OC(=O)C(O[Si](C)(C)C(C)(C)C)C(NC(=O)c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
CC(C)(C)[Si](C)(C)OC(C(=O)OC1C=CCCC1)C(NC(=O)c1ccccc1)c1ccccc1,CI,0
OCC=CC(OCc1ccccc1)C(C=CCO)OCc1ccccc1,CI,0
O=C1c2ccccc2-c2nccc3ccnc1c23,CI,0
N=C1NC(=N)c2cc3c(cc21)SCCSCCCSCCS3,CI,0
N#Cc1cc2c(cc1C#N)SCCSCCCSCCS2,CI,0
Cc1c(Cl)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12,CI,0
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[OH+][Pd-2]23[N+](C)(C)CC[N+]2(C)CC[N+]3(C)C)cc1,CI,0
CCc1c(O)n(-c2ccccc2)c(=S)n(Cc2nc3ccccc3[nH]2)c1=O,CI,0
O=c1c(Cc2ccccc2)c(O)n(-c2ccccc2)c(=S)n1Cc1nc2ccccc2[nH]1,CI,0
CCc1c(O)n(Cc2ccccc2)c(=S)n(Cc2nc3ccccc3[nH]2)c1=O,CI,0
Cc1cccc(N2C(=O)C=C(NC(CC(C)C)c3nc4ccccc4[nH]3)C2c2ccccc2)c1,CI,0
Cc1nc2ccccc2c(=O)n1Cc1nc2ccccc2[nH]1,CI,0
O=C1C=C(NC(c2ccccc2)c2nc3ccccc3[nH]2)C(c2ccccc2)N1c1ccccc1,CI,0
N#Cc1c(-c2ccccc2)c(C=O)c(=O)n2c1[nH]c1ccccc12,CI,0
N=c1ncn2c(nc3ccccc32)[nH]1,CI,0
Cc1[nH]n(-c2nc(O)c(-c3ccccc3)c(O)n2)c(=O)c1CCO,CI,0
O=c1c2c([nH]n1-c1nc(O)cc(-c3ccccc3)n1)CCCC2,CI,0
O=c1c2c([nH]n1-c1nc(O)c(-c3ccccc3)c(O)n1)CCCC2,CI,0
Clc1cc(-c2ccccc2)nc(Nc2nc3ccccc3[nH]2)n1,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C(O)C3(O)CCC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O,CM,1
O=c1oc2ccccc2c2nc3ccccc3cc12,CI,0
C=CCC1(OC(C)=O)C2OC(=O)C1(O)OCC2O,CI,0
COC(=O)N1CCC2CCC=C(c3cccc4c3OCO4)C21,CI,0
CCC(C)C(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(COC(C)=O)C(OC(C)=O)C(=O)C3C(OC(C)=O)C2(OC3(C)COC(=O)c2ccccc2)C1(C)O,CI,0
CCC1CC2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)C6(C(=O)OC)CC7CC(CC)C6N(CC8)C7)c(O)ccc45)C(C(=O)OC)(C2)C13,CI,0
COc1cc(C2C(O)N(C)C(=O)C23CCCN3C)c(Br)cc1Br,CI,0
O=[N+]([O-])c1ccc2ncccc2c1CCc1c([N+](=O)[O-])ccc2ncccc12,CI,0
Cc1cc(N(C)C)ccc1N=Nc1ccc2ncccc2c1,CI,0
CN(C)c1ccc(N=Nc2cccc3ccoc23)cc1,CI,0
CC1=CC(=NOCC(=O)O)CC(c2ccc(C(C)C)cc2)C1,CI,0
CC1=C(C)CS(=O)(=O)N(c2ccccc2)C1,CI,0
CCOC(=O)NN(CCOS(=O)(=O)c1ccc(C)cc1)CCOS(=O)(=O)c1ccc(C)cc1,CI,0
Cc1c(N=Nc2ccc(N(C)C)cc2)cc[n+]([O-])c1C,CI,0
Brc1ccc(N=Nc2ccc3ccccc3n2)cc1,CI,0
OC(c1ccccc1)(c1cccnc1)C(O)(c1ccccc1)c1cccnc1,CI,0
CN1B(c2ccccc2)N(C)C(=O)N(C)C1=O,CI,0
Cl.NCCC1([N+](=O)[O-])C=CN=CC1,CI,0
CN(C)c1ccc(N=Nc2ccc3[nH]cnc3c2)cc1,CI,0
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2n1,CM,1
Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)CC3)c2n1,CI,0
CC(C)Oc1cc2c(c3oc(=O)c4c(c13)CCC4)C(=O)C(C)C(C)O2,CI,0
O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1,CI,0
O=C1c2ccccc2-c2nnc3c(c21)-c1ccccc1C3,CI,0
CC(C(=O)NCNC(=O)c1ccccc1)C(=O)NCc1ccccc1,CI,0
CN1CCN(Cc2cc3c(nn2)-c2ccccc2C3=O)CC1,CI,0
Cc1nc2c(c(N3CCN(C)CC3)n1)Cc1ccccc1-2,CI,0
CC(NC(=O)Cc1ccccc1)NC(=O)C(C)C(=O)Nc1ccccc1,CI,0
CC(NC(=O)Cc1ccccc1)NC(=O)C(C)C(=O)NCc1ccccc1,CI,0
O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21,CI,0
O=[N+]([O-])c1cccc(-c2ncc3c(n2)-c2ccccc2C3)c1,CI,0
O=C1Cc2cn[nH]c2-c2ccccc2N1,CI,0
CSC1=Nc2ccccc2-c2nc3ccccc3cc2C1,CI,0
O=C1CCN2CCCC12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.OC1CCN2CCCC12,CI,0
O=c1[nH]c(=O)n(COCc2ccccc2)c2ccsc12,CI,0
COc1ccc2nc3c(nc2c1)C(C)(C)C=C3c1ccc(Br)cc1,CI,0
Oc1nnc(Nc2ccccc2)c2nnn(Cc3ccccc3)c12,CI,0
Cc1cc(O)nc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12.O=C(O)O,CI,0
Cc1cc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)c(O)c(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1.Cl,CI,0
OC1(c2c(F)c(F)c(F)c(F)c2F)C2C3CC4C5C3C1C(O)(C5Br)C42,CI,0
CC1CCN(c2nnc(Cl)cc2C(=O)c2ccccc2)CC1,CI,0
CC(C)(C)c1cc2c(O)c(c1)C(c1ccccc1)c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C(c1ccccc1)c1cc(C(C)(C)C)cc(c1O)C2,CI,0
Nc1c(Cl)ncnc1NC1CC1CO,CI,0
N#CCCSC1SC(=C2SC3=C(SCCS3)S2)SC1SCCC#N,CI,0
Cc1ccc2c3c(cnc2n1)C(=O)OCCN3C,CI,0
COc1cc2c3c(c1OC)C(=O)C(=O)C1=C3N(CCC1)CC2,CI,0
CC1(C)C2CCC1(C)C(OC(=O)C=CC(=O)OC1CC3CCC1(C)C3(C)C)C2,CI,0
[O-][Cl+3]([O-])([O-])O.c1ccc(C2=NN2c2ccccc2)cc1,CI,0
N#Cc1nc(-c2cccnc2)oc1N,CI,0
N#Cc1nc(-c2ccccn2)oc1N,CI,0
C[N+]1(C)CC[N+](C)(C)B1[C-](O)O.[Br-],CI,0
N.O=[N+]([O-])c1ccc(OP(=O)(O)OCC2OC(CP(=O)(O)O)C(O)C2O)cc1,CI,0
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C,CI,0
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3CCC(C)(C)O3)C(O)CC12C,CI,0
N=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1C(=O)OCc1ccccc1,CI,0
N=C1NC(=O)C(CSCc2ccccc2)N1C(=O)OCc1ccccc1,CI,0
COc1ccc2c(c1)CCC1C2CCC2(C)C(=NOCCN3CCCC3)CCC12.Cl,CI,0
CCN(CC)CCON=C1CCC2C3CCc4cc(OC)ccc4C3CCC12C.Cl,CI,0
CC12CCC(O)CC1=CCC1C2CCC2(C)C(=NOCCN3CCCC3)CCC12,CI,0
CCN(CC)CCON=C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CI,0
O=C1NC(=S)NC1=Cc1c(-c2ccccc2)[nH]c2ccccc12,CI,0
O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1,CM,1
Cc1c2c(Cl)c3c(c(Cl)c2c(C)c2c(Cl)c4c(c(Cl)c12)C(c1ccccc1)(c1ccccc1)C4(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C3(c1ccccc1)c1ccccc1,CI,0
CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=O)[OH+][Cu-2](O)[OH+]2,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(On3nnc4ccccc43)N3CCCCC3)O2)cc1F,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(OCc3ccc([N+](=O)[O-])o3)N3CCCCC3)O2)cc1F,CI,0
CCOC(=O)C1=C(C)NC(c2ccco2)=C(C#N)C1c1cccc([N+](=O)[O-])c1,CI,0
N#Cc1c(Sc2ccccc2N)cccc1Sc1ccccc1N,CI,0
Cc1c2c(c(-c3c4c(c(C)c5c3[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]5)OCO4)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]3)OCO2,CI,0
Cc1c2c(c(C)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]3)OCO2,CI,0
Cc1c2c(c(C)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])([PH](c1ccccc1)(c1ccccc1)c1ccccc1)[OH+]3)OCO2,CI,0
CC(C)(C)c1cc(C2COC(c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O,CI,0
CC(C)(C)c1cc(C2COC(=O)COCCOCC(=O)OCCOCCO2)cc(C(C)(C)C)c1O,CI,0
CC(C)(C)c1cc(C2COC(=O)COCC(=O)OCCOCCOCCO2)cc(C(C)(C)C)c1O,CI,0
COC(=O)C(NC(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CI,0
CC(C)(C)C1=CC(O)(c2c3ccccc3c(C3(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3ccccc23)C=C(C(C)(C)C)C1=O,CI,0
Cc1cc(C2(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)cc1C1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1,CI,0
CCOC(=O)C1=NNC(C(=O)c2ccccc2)C1c1ccccc1,CI,0
CC(C)[Si](OC1CCCC23OC2CC2C(=O)c4c(O)cccc4C(=O)C2(O)C13)(C(C)C)C(C)C,CI,0
O=C1c2c(O)cccc2C(O)C23OC12CCC1(O)CCCC(O)C13,CI,0
COc1ccc(COC(=O)NCC(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)cc1,CI,0
CC(NC(=O)CNP(=O)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1,CI,0
CC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
Oc1nc2[nH]c(-c3ccc(Br)cc3)cc2c2ccccc12,CI,0
N#Cc1nsnc1-c1nc(-c2nsnc2C#N)nc(-c2nsnc2C#N)n1,CI,0
Cc1cn(C2CC(Br)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O,CI,0
C=C1C(Cl)C2OC(=O)C(C)C2(O)C(OC(C)=O)C2C(C)(O)C(OC(=O)CCC)CC(OC(C)=O)C2(C)C(OC(C)=O)C2OC12,CI,0
CC(C)C(C)C1(C)CC1C(C)C1CCC(C2CC=C3CC(O)CCC3(C)C2=O)C1(C)CCO,CI,0
CC(=O)OC1CC(C)(C)C(=C=CC(C)=CC=CC=CC=C(C)C=C2C=C(C=CC34OC3(C)CC(O)CC4(C)C)C(=O)O2)C(C)(O)C1,CI,0
c1ccc(COc2ncccc2C2SCCCS2)cc1,CI,0
c1ccc(C2=NCCc3cc4c(cc32)OCO4)cc1,CI,0
CCOC(=O)N1N(c2ccccc2)C(=O)C1(c1ccccc1)c1ccccc1,CI,0
O=C(O)C(NCc1ccccc1)C(NCc1ccccc1)C(=O)O,CI,0
NN=C1C2CN3CCN(C2)CC1(c1ccc([N+](=O)[O-])cc1)C3,CI,0
OC1C2CN3CCN(C2)CC1(c1ccccc1)C3,CI,0
O=C1CCCC2(CCCC(O)C2)N1,CI,0
CC(C)[Si](OC1=C(c2ccccc2)C(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C,CI,0
COC(=O)c1cc(C=CC(=O)Cc2ccccc2)cn1S(=O)(=O)c1ccccc1,CI,0
CCOC(=O)c1c[nH]cc1-c1cn(S(=O)(=O)c2ccccc2)cc1C,CI,0
CCOP(=O)(OCC)OC1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2C1OC,CI,0
CCOP(=O)(OCC)Oc1c(OC)c2[nH]c(C(=O)OC)cc2c2c(C(=O)O)c[nH]c12,CI,0
CCOP(=O)(OCC)OC1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2C1OC,CI,0
COC(=O)c1cc(-c2c[nH]cc2C(=O)OCc2ccccc2)cn1S(=O)(=O)c1ccc(C)cc1,CI,0
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)C(=O)C(=O)c1[nH]cc(C(=O)OCc3ccccc3)c1-2,CI,0
COC(=O)c1c[nH]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O,CI,0
COC(=O)C1c2c(c3ccccc3n2C(=O)OC)CCN2CCC1C(S(=O)(=O)c1ccccc1)C2=O,CM,1
CCC12CCC(=S)N(CCSc3ccccc3)C1c1c(n(S(=O)(=O)c3ccc(OC)cc3)c3ccccc13)CC2,CI,0
CCC12C=CC(=S)N(CCSc3ccccc3)C1c1c(n(S(=O)(=O)c3ccc(OC)cc3)c3ccccc13)CC2,CI,0
COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C2C(CCCN2C(=O)CS(=O)c2ccc(C)cc2)C(Cl)C3)cc1,CI,0
COC(=O)C1(c2ccc(N(C)C)cc2OC)CCCN(C(=O)Oc2ccccc2[N+](=O)[O-])CCc2c1[nH]c1ccccc21,CI,0
CCC1(CC2CC3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=S)COC2(CCCCC2)O1,CI,0
CCC1(CC2CC3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=O)COC2(CCCCC2)O1,CI,0
N#CCc1nc(Cc2ccccc2)n[nH]1,CI,0
CC(=O)n1nc(-c2ccc3ccccc3c2)nc1C,CI,0
CSCCC(NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1,CI,0
Nc1nc(N)c2c(-c3ccccc3)ccnc2n1,CI,0
CC(=O)OC=C1CC2C3CCC4CC(C(C)=O)CCC4(C)C3CCC2(C)C1=O,CI,0
CC1=CCOC(=O)CCC(C)=CCC1,CI,0
O=C1CC2C3CC4CC(C3)CC2(C4)O1,CI,0
O=C1CC23CC4CC(CC(C4)C2O1)C3,CI,0
[N-]=[NH+]CC(=O)OC(COCc1ccccc1)COCc1ccccc1,CI,0
CCC1(c2ccc(N3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)CCC(=O)NC1=O,CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(OCCN2CCCC2)cc1,CI,0
COC(=O)c1cncc2c1CC1C3(C(=O)OC)C=NC(C4C(CO)=CCC43)C21C,CI,0
CC(=O)OCC1OC(SC2=NC(=Cc3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(SC2=NC(=Cc3ccc(Br)s3)C(=O)N2CN2CCOCC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(SC2=NC(=Cc3ccc(Br)s3)C(=O)N2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=C1C(=Cc2cc3c(=O)c4ccccc4sc3s2)NC(=S)N1c1ccccc1,CI,0
O=C1NC(=S)NC1=Cc1cc2c(=O)c3ccccc3sc2s1,CM,1
O=C(O)c1ccccc1Sc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)s1,CI,0
O=C1NC(=S)NC1=Cc1ccc(Sc2ccccc2C(=O)O)s1,CI,0
O=C1C(=Cc2ccc(Br)s2)NC(=S)N1c1ccccc1,CI,0
Cn1c(=O)[nH]c2sc3c(c2c1=N)CCCC3,CM,1
COc1ccc(-n2c(C)nc3ccc(N=Cc4ccccc4)cc3c2=O)cc1,CI,0
O=c1cnnc2[nH]c3ccccc3n12,CI,0
COc1ccc(C(=NNc2nc3ccccc3n2Cc2ccccc2)C(=O)O)cc1,CI,0
COc1ccc(C(=NNc2nc3ccccc3[nH]2)C(=O)O)cc1,CI,0
Cn1c2nc(=Nc3ccc(Cl)cc3)[n+]3ccc4ccccc4c3c-2c([O-])n1-c1ccccc1,CI,0
CC1=C(S(=O)c2ccc(C)cc2)CCC2(CCCCO2)O1,CI,0
CCOC1CCC(S(=O)c2ccc(C)cc2)=CO1,CI,0
O=NN=c1o[n-][n+](CCc2ccccc2)c1Cc1c(=NN=O)o[n-][n+]1CCc1ccccc1,CI,0
Cc1ccc(S(=O)c2occc2C=O)cc1,CI,0
CC(C)(C)C1CCC(=O)C(=CCC2CC(=O)N(c3ccccc3)C(=O)C2)C1,CI,0
Oc1ccc(-c2cc(-c3cc(-c4ccc(O)cc4)no3)on2)cc1,CI,0
CC(=NNc1ccccc1Br)c1cccc(C(C)=NNc2ccccc2Br)n1,CI,0
c1ccc(-c2c3c(nc4c2CCC4NC2=NCCN2)C(NC2=NCCN2)CC3)cc1,CI,0
NC1CCc2c1nc1c(c2-c2ccccc2)CCC1N,CI,0
Nc1cc(N2CCCC2)nc(=O)n1Cc1ccccc1,CI,0
O=c1cc(N2CCCC2)[nH]c(=O)n1Cc1ccccc1,CI,0
O=c1cc(N2CCCC2)[nH]c(=O)n1-c1ccccc1,CI,0
N#CC=C(NC(=O)Nc1ccccc1)N1CCCC1,CI,0
S=C1Cc2cc3ccccc3nc2-c2ccccc2N1,CI,0
O=C(Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1,CI,0
CC(OC(=O)NCn1cc(-c2ccccc2)nn1)c1ccccc1,CM,1
CC1CCC(C(C)C)C(OC(=O)NCn2cc(-c3ccccc3)nn2)C1,CI,0
Cc1cc(OC(=O)NCn2cc(-c3ccccc3)nn2)ccc1Cl,CI,0
CC1(C)OCC(COC(=O)NCn2cc(-c3ccccc3)nn2)O1,CI,0
COc1ccc(CNC(=O)NCn2cc(-c3ccccc3)nn2)cc1,CI,0
O=C(Cn1cc(-c2ccccc2)nn1)NC1CCCCC1,CI,0
O=C(Cn1cc(-c2ccccc2)nn1)NC1CCCC1,CI,0
O=C(NCCn1ccnn1)Nc1ccccc1,CI,0
Cc1ccc(-n2nnc3c(NNc4ccccc4)nnc(O)c32)cc1,CI,0
O=[N+]([O-])c1ccc(-n2nnc3c(Nc4ccc(Cl)cc4)nnc(O)c32)cc1,CI,0
CN1CCN(c2nnc(O)c3c2nnn3C2CCCCC2)CC1,CI,0
Oc1nnc(NNc2ccccc2)c2nnn(C3CCCCC3)c12,CI,0
CN1CCN(c2nnc(O)c3c2nnn3Cc2ccccc2)CC1,CI,0
Oc1nnc(NCCc2ccccc2)c2nnn(Cc3ccccc3)c12,CI,0
CCCCCCNc1nnc(O)c2c1nnn2Cc1ccccc1,CI,0
NNC(=O)c1nnn(CCc2ccccc2)c1C(=O)NN,CI,0
COC(=O)c1ccc(OCCn2nnc(C(=O)NN)c2C(=O)NN)cc1,CI,0
O=S1(=O)OCCOS(=O)(=O)C1Cc1nc2ccccc2[nH]1,CI,0
CC(C)Oc1cc2c(c3oc(=O)c4c(c13)CCCC4)C(=O)C(C)C(C)O2,CI,0
CC(=O)Oc1ccn2nc(C)c(Cc3c(C)nn4ccc(OC(C)=O)cc34)c2c1,CI,0
COc1ccc(P2(=S)Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3O2)cc1,CI,0
COc1ccc(P2(=S)Oc3ccccc3-c3ccccc3O2)cc1,CI,0
COc1ccc(P2(=S)OCCOP(=S)(c3ccc(OC)cc3)S2)cc1,CI,0
COc1ccc(P2(=S)OC(C)(C)C(C)(C)O2)cc1,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)C3CC3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)cn2C)cn1C.Cl,CI,0
O=C1C=CC(=O)C(CNc2ccc(C(=O)OCc3ccccc3)cc2)=C1,CI,0
O=C(OCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1,CI,0
Br[Sn]12c3ccccc3CN(Cc3ccccc31)Cc1ccccc12,CI,0
c1ccc([Sn]23OCCN(CCO2)CCO3)cc1,CI,0
CC1(C)C2CCC1(CS(=O)(=O)Nc1ccccc1)C(=O)C2,CI,0
CC12CCC(C(Nc3ccccn3)C1=O)C2(C)C,CI,0
CC(C)(C)OC(=O)NCCC1SC2C=CC1C2,CI,0
O=C1C(c2ccccc2)=C(c2ccccc2)C1(Cl)Cl,CI,0
CC1(C)C=C(S(=O)(=O)c2ccccc2)Oc2ccccc2O1,CI,0
O=[N+]([O-])c1ccc(S(=O)(=O)N=[IH2]c2ccccc2)cc1,CI,0
CC1(C)C2C=C(CCN3CCOCC3)CC1C2,CI,0
CC[P+](C#Cc1ccccc1)(c1ccccc1)c1ccccc1.[I-],CI,0
O=P1(c2ccccc2)C(c2ccccc2)=CC=C1c1ccccc1,CI,0
Cc1ccc2cccc(-c3cccc4ccccc34)c2n1,CI,0
c1ccc2c(c1)CN1CCCC1CN2,CI,0
O=C1CC2SC(COCc3ccccc3)(CCN2Cc2ccccc2)C1,CI,0
c1ccc(COCC23CCN(Cc4ccccc4)C(CC(OCc4ccccc4)C2)S3)cc1,CI,0
CCOc1cnc(C(O)(c2ccccc2)c2ccccc2)o1,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=CCCC=Nn1c(-c2ccccc2)n[nH]c1=O,CI,0
Cc1ccc(-c2n[nH]c(=O)n2NC(=O)c2ccccc2C(=O)O)cc1,CI,0
Cc1ccc(-c2n[nH]c(=O)n2N2C(=O)c3ccccc3C2=O)cc1,CI,0
Cc1ccc(Cc2n[nH]c(=O)n2-c2ccccc2)cc1,CI,0
Cc1cc(C)c(C2CNCc3cc4c(cc32)CNCC4c2c(C)cc(C)cc2C)c(C)c1.O=C(O)C(O)c1ccccc1,CI,0
COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1,CI,0
COc1ccc(N=NC(=O)NC(Cc2ccccc2)C(=O)O)cc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccncc1,CI,0
O=c1[nH]nc(-c2ccc3ccccc3c2)[nH]1,CM,1
COC(=O)c1ccccc1C=C1Cc2c(ccc3c2CCC3)C1=O,CI,0
CCn1c2ccccc2c2cc(NC(=O)c3c(C)nc(O)nc3NCCNCCO)ccc21.Cl,CI,0
Cc1nc(O)nc(NCCNCCO)c1C(=O)Nc1cccc2cc3ccccc3cc12,CI,0
CC(NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(N)CCCCN)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(N)=O,CI,0
CN(CC(=O)Nc1ccccc1C(=O)O)c1ccccc1,CI,0
CC12CN3CC(C)(C)[NH+]4C(=O)C(C)(CN5CC(C)(C)[NH+](C1=O)[Ni-2]534)OCCCCCCCCCCOC1(C)CN3CC(C)(C)[NH+]4C(=O)C(C)(CN5CC(C)(C)[NH+](C1=O)[Ni-2]354)OCCCCCCCCCCO2,CI,0
CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1,CI,0
[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1,CI,0
COC(c1ccsc1)C(C#N)(C#N)N=Cc1ccsc1,CI,0
O=c1[nH]c2ccccc2c(=O)c2cc3ccccc3cc12,CI,0
O=C1Cc2cc3ccccc3nc2-c2ccccc2N1,CI,0
O=c1c2cc([N+](=O)[O-])ccc2n(Cc2ccccc2)n1Cc1ccccc1,CI,0
COc1ccc(Cn2c3ccc([N+](=O)[O-])cc3c(=O)n2Cc2ccccn2)cc1,CI,0
COc1nn(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12,CI,0
COc1ccc(Cn2nc(OCc3ccccn3)c3cc([N+](=O)[O-])ccc32)cc1,CI,0
O=C(O)C1CSCN1C(=O)C1CCC(=S)N1,CI,0
O=C1CCC(C(=O)N2CSCC2C(=O)O)N1,CI,0
COc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)c2c(C(CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC,CI,0
O=C1C=CCC(C=CCC(O)CC(O)C=Cc2ccccc2)O1,CI,0
COc1c(-c2ccc3c(c2)OCO3)oc2cc3c(c(OC)c2c1=O)OCO3,CI,0
CC(=O)OCC1OC(SC2=NC(=O)CS2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0
Cc1cc(C)n(C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])n2nc(C)cc2C)n1,CI,0
O=C(COc1cc(=O)oc2ccccc12)c1ccccc1,CI,0
CN1C(=O)CC2CCC(=O)N2c2cccnc21,CI,0
CN1C(=O)C2CCCC(=O)N2c2cccnc21,CI,0
CN1C(=O)C2CCC(=O)N2c2cccnc21,CI,0
Clc1ccc(C2=CCN3CC=C(c4ccc(Cl)cc4)C23)cc1.O=C(O)C=CC(=O)O,CI,0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3C2)cc1,CI,0
c1cc2c(s1)-c1sccc1C21OCCO1,CI,0
C=C1C(=O)OC2C1CC1OC2C(C)CCCC2(C)OC2CCC1(C)O,CI,0
C=C1C(=O)OC2C1CC1OC2C(C)CCCC(C)C2CCC1(C)O2,CI,0
OCCN(CCO)CCn1cnc2c(NCc3ccccc3)ncnc21,CI,0
c1ccc2c3ccn4ccc5c6ccccc6[nH]c5c4c-3nc2c1,CI,0
COc1cccc(C(=O)NC2C(O)C(CO)OC2n2cnc3c(N)ncnc32)c1,CI,0
C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2C1,CI,0
CCOC1=C(c2ccccc2)N2CCCCC2O1,CI,0
BrC1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21.[Br-],CI,0
C=C(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1,CI,0
CCN1C(c2ccccc2)=CC(c2ccccc2)(C(Cl)(Cl)Cl)C=C1c1ccccc1,CI,0
OC(=[OH+])C1([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)CC1,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1ccc3c(c1C2=O)CCC3,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1cc3c(cc1C2=O)CCC3,CI,0
Cc1n[nH]c(=O)n1C1CCCC1,CI,0
Cc1n[nH]c(=O)n1-c1cccnc1,CI,0
CCc1n[nH]c(=O)n1-c1ccncc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1-c1ccncc1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccncc1,CM,1
O=c1[nH]nc(-c2ccccc2)n1N=Cc1cccnc1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1cccnc1,CM,1
Nn1c(-c2ccccc2)nn(C(=O)c2ccccc2)c1=O,CI,0
COC(=O)C1C2CCC3(C)C(OC(C)=O)CCC3C2CCC1C1(C)SCCS1,CA,1
CC(=O)OC1CCC2C3CCC4=C(C(=O)C=CC4(C)OC(C)=O)C3CCC12C,CI,0
CC1(O)OC(=O)C2=C1CCC1C2CCC2(C)C(O)CCC12,CI,0
C=C(CC1CCCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1,CI,0
O=C1CC(C(COCc2ccccc2)OCc2ccccc2)CC(=O)N1,CI,0
O=C1CC(C(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccccc2)OCc2ccccc2)CC(=O)N1,CI,0
CC(C)C1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CCS(=O)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CI,0
CC(=O)N1C2=CCCC2(C)c2ccccc21,CI,0
COc1cc(-c2cc(=O)c3cc4c(=O)cc(-c5cc(OC)c(OC)c(OC)c5)oc4cc3o2)cc(OC)c1OC,CI,0
CCOC(=O)C1CC(C(=O)c2ccccc2)N2c3ccccc3-c3ccccc3C12,CI,0
CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1,CI,0
CCOP(=O)(O)C(Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(C(Nc2ccc(N=Nc3ccccc3)cc2)P(=O)(O)OCC)c1.[NaH],CI,0
CCOP(=O)(O)C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(C(Nc2ccc(N=Nc3ccccc3)cc2)P(=O)(O)OCC)cc1.[NaH],CI,0
CCOc1c(OC)cc(CNNc2nccs2)cc1OC,CI,0
COc1oc(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1,CI,0
CN1CCC2(CC1)SCC1C(=O)N(c3ccc(Cl)cc3)C(=O)N12,CI,0
Cc1ccc(S(=O)(=O)NN=CC(=Cc2ccc(Cl)cc2)CC(C=NNS(=O)(=O)c2ccc(C)cc2)=Cc2ccc(Cl)cc2)cc1,CI,0
Cn1nc2c(c1N)Cc1c(nn(C)c1N)-c1ccccc1-2,CI,0
Nc1onc2c1Cc1c(noc1N)-c1ccccc1-2,CI,0
COc1ncc(C=C2OC(=O)c3ccccc32)c(OC)n1,CI,0
C=CCC1(OC(C)=O)C(=O)C(=O)OC1C1COC(C)(C)O1,CI,0
C=CC(c1ccccc1)C1(OC(C)=O)C(=O)C(=O)OC1C1COC(C)(C)O1,CI,0
CC1(C)OCC(C2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)O1,CI,0
C=CCC1(OCc2ccccc2)C(=O)C(=O)OC1C1COC(C)(C)O1,CI,0
Cn1c(=O)c2c(ncn2CCNC(CO)C(O)c2ccc([N+](=O)[O-])cc2)n(C)c1=O,CI,0
O=c1cc(-c2ccccc2)oc2cc(Oc3nnnn3-c3ccccc3)ccc12,CI,0
O=c1cc(-c2ccccc2)oc2ccc(Oc3nnnn3-c3ccccc3)cc12,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0
O=Nn1ccccc1=Nc1ccccc1,CI,0
O=S(=O)([O-])c1cc(O)c2c3c(c(S(=O)(=O)[O-])cc2c1)=N[OH+][Cu-3]1([O+]=3)[O+]=c2c(c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c23)=N[OH+]1,CI,0
Oc1ccc2ccccc2c1C=Nc1ccc(SSc2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1,CI,0
C(=Cc1ccccc1)C=Nc1ccc(SSc2ccc(N=CC=Cc3ccccc3)cc2)cc1,CI,0
C(=Nc1ccc(SSc2ccc(N=Cc3ccc4c(c3)OCO4)cc2)cc1)c1ccc2c(c1)OCO2,CI,0
O=C(c1ccccc1)c1ccc(SSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CI,0
O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(Cl)c1,CI,0
c1ccc(-c2ccccc2SSc2ccccc2-c2ccccc2)cc1,CI,0
Cc1ccc(S(=O)(=O)NC(=O)NCCCSSCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
O=C(O)C(CSSCC(C(=O)O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O,CI,0
Cc1ccc(S(=O)(=O)O)cc1.NC(CSSCC(N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=c1nc(SSc2ccn(C3OC(CO)C(O)C3O)c(=O)n2)ccn1C1OC(CO)C(O)C1O,CI,0
O=C(CSSCC(=O)c1ccccc1)c1ccccc1,CI,0
O=C(SSC(=O)c1ccccc1)c1ccccc1,CI,0
c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,CI,0
O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O,CI,0
[O-][n+]1ccccc1SSc1cccc[n+]1[O-],CI,0
CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=NC(C(=O)N5CCCC5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(C)C)NC(=O)CNC(=O)c2csc(n2)C(C(C)C)NC(=O)c2nc1sc2C,CI,0
N#Cc1nc(C#N)n(S(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1,CI,0
N#Cc1nc(C#N)n(C(=O)c2ccccc2)c1NC(=O)c1ccccc1,CI,0
C[N+]1(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1.[I-],CI,0
CN1CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1,CI,0
CN1CCN(CCCCN2c3ccccc3Sc3ccc(C(=O)c4ccccc4)cc32)CC1.O=C(O)C(=O)O,CI,0
CN(C)CCCCN1c2ccccc2Sc2ccc(C(=O)c3ccccc3)cc21.O=C(O)C(=O)O,CI,0
CC1(C)CC=CCCC(O)C(O)CCC(C)(C)C1=O,CI,0
CC1(C)CCCCCCC2CC2CCCCCC(C)(C)C1=O,CI,0
CC1(C)CCCCCCCCCC2CC2CCC(C)(C)C1=O,CI,0
CC1(C)CCCCCCC2OC2CCCCCC(C)(C)C1=O,CI,0
CC1(C)CCCC2CC2CCC(C)(C)C1=O,CI,0
CC1(C)CCCC2OC2CCC(C)(C)C1=O,CI,0
Oc1cc(NNc2cccc3ccccc23)nc(O)n1,CI,0
Cn1c(=O)cc(NCCc2ccccc2)[nH]c1=O,CI,0
Oc1cc(NNCc2ccccc2)nc(O)n1,CI,0
Cn1c(=O)cc(N=Nc2ccc(Cl)c(Cl)c2)[nH]c1=O,CI,0
Oc1cc(NNc2ccc3ccccc3c2)nc(S)n1,CI,0
OC1c2ccccc2C2C1C(c1ccccc1)C1(Cc3ccccc3C1O)C2c1ccccc1,CI,0
OC1CC(c2ccccc2)C2(C(O)c3ccccc3C2O)C(c2ccccc2)C1,CI,0
O=C1OC(c2ccccc2)(c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1,CI,0
c1ccc(C2=NCCN2)c(C2=NCCN2)c1,CI,0
CC(=O)Oc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)nn2)cc1,CI,0
O=C1C=CC(=O)C2C3C=CC(C12)C1C3C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,CI,0
c1ccc(CNC23C4C5CC6C7C5C2C7C(NCc2ccccc2)(C64)N3Cc2ccccc2)cc1,CI,0
CCOC12CCC3CC4CCC(OCC)(O1)C4C32,CI,0
O=C1C2C3C(OCc4ccccc4)C4C5C(OCc6ccccc6)C(C1C35)C24,CI,0
CC(=O)N1CCN(C23OC4(N5CCN(C(C)=O)CC5)C5C6CC(C7C6C4C72)C53)CC1,CI,0
C1CN(C23OC4(N5CCOCC5)C5C6CC(C7C6C4C72)C53)CCO1,CI,0
CCOC(=O)C1=C(O)C2C3CC4C2C(O)=C(C(=O)OCC)C2C1C3C42,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1COC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCN1CCN(C(=O)C(C#N)=Cc2ccc(O)c(O)c2)CC1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCN1CCN(C(=O)C(C#N)=Cc2ccc(O)c(O)c2)CC1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCCC(NC(=O)C(C#N)=Cc2ccc(O)c(O)c2)C1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1cccc(CNC(=O)C(C#N)=Cc2ccc(O)c(O)c2)c1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
CCOC(=O)C(C(=S)Nc1ccccc1)c1nn2c(=O)cc(C)nc2s1,CI,0
Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccco3)nc2s1,CI,0
Cc1cc(=O)n2nc(CSc3n[nH]c(=N)s3)sc2n1,CI,0
Cc1cc(=O)n2nc(CSc3nnc(Sc4cc(O)ccc4O)s3)sc2n1,CI,0
CSc1nnc(SCc2nn3c(=O)cc(C)nc3s2)s1,CI,0
Cc1cc(=O)n2nc(CSc3n[nH]c(=S)s3)sc2n1,CI,0
Cc1cc(=O)n2nc(CN3CCCCC3)sc2n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)cccc34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=c3c4ccccc4n(C)c4ccccc34)cc2)n1,CI,0
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)c1C,CI,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)no1,CI,0
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1,CI,0
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6onc(C)c6C)cc5)c4c3)cc2)c1C,CM,1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c4c3)cc2)no1,CM,1
ClC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCC3,CI,0
COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc3c1CCC3)C2=O,CI,0
O=C1OC(C2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21,CI,0
O=C(CCCC1Cc2ccccc2C1=O)c1ccccc1,CI,0
ON=C1CCc2cc3c(cc21)CCC3,CI,0
O=C1c2ccccc2CC12Cc1ccc3c(c1C2)CCC3,CI,0
COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1)CCC3,CI,0
COC(=O)C(Cc1ccc2c(c1)CCCC2)Cc1cc2c(cc1C(O)OC)CCC2,CI,0
CCCC(O)c1cn(C(NC(=O)c2ccccc2)P(=O)(OCC)OCC)nn1,CI,0
FC(F)(F)c1ccc2c(-c3cc[nH]c3)ccnc2c1,CI,0
CC(=O)OCC1OC(c2nc3ccccc3s2)=CC(OC(C)=O)C1OC(C)=O,CI,0
O=C(CCC(=O)OCC1OC(O)(CC2OC(CO)C(O)C(O)C2O)C(O)C1O)OCc1ccccc1,CI,0
Nc1nc(N)c2cc(-c3ccccc3)cnc2n1,CI,0
N#Cc1nc(-c2cccs2)oc1N,CI,0
N#CC1(C#N)NC(c2ccccc2)C(C#N)(C#N)NC1c1ccccc1,CI,0
CC(c1ccccc1F)=[N+]1[N-]C(N)=[S+][Pt-2]12[S+]=C(N)[N-][N+]2=C(C)c1ccccc1F,CI,0
CC(c1ccccc1F)=[N+]1[N-]C(SCc2ccccc2)=[S+][Pd-2]12[S+]=C(SCc1ccccc1)[N-][N+]2=C(C)c1ccccc1F,CI,0
C[PH]1(C)CC[PH](C)(C)[Fe-3]1(C#[O+])(C#[O+])C#[O+],CI,0
CSc1cc(-c2ccccn2)nc(-c2ccccn2)c1,CI,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Mn+]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC(C)N(C(C)C)P1O[PH]2(N(C(C)C)C(C)C)OP(N(C(C)C)C(C)C)O[PH](N(C(C)C)C(C)C)(O1)[W]2(C#[O+])(C#[O+])(C#[O+])C#[O+],CI,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Zn-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Cu-5]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Ni-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0
CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Co-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0
CC(NC(=O)CCS)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O,CI,0
CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O,CI,0
CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O,CI,0
Oc1c(C(O)c2ccccn2)ccc2ccccc12,CI,0
CC(=O)N1CC[N+](C)(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1.[I-],CI,0
O=S(=O)(N1CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCC1)C(F)(F)F,CI,0
O=S(=O)(N1CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCC1)C(F)(F)F,CI,0
N=C1NCC(CN2CCCCC2)O1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)N(S(=O)(=O)c2ccccc2)c2ncccc21,CI,0
O=C(Cn1c(=O)ccn(C2OC(CO)C(O)C2F)c1=O)c1ccc(F)cc1,CI,0
O=c1ccn(C2OC(CO)C(O)C2F)c(=O)n1Cc1ccccc1,CI,0
COC1=C2CC(OC)(C#CC=CC#CC2O)CC1(C)C,CI,0
CC(C)(C)c1cc2c(OCC=Cc3ccccc3)c(c1)Cc1cc(C(C#N)(OCC=Cc3ccccc3)OCC=Cc3ccccc3)cc(c1OCC=Cc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC=Cc1ccccc1)Cc1cc(C(C#N)(OCC=Cc3ccccc3)OCC=Cc3ccccc3)cc(c1OCC=Cc1ccccc1)C2,CI,0
[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
CCCCCCCCCCCCCCCCNc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)c(=O)n1,CI,0
Cc1ncc2c(=O)c3c(oc2n1)c1ccccc1n3Cc1ccccc1,CI,0
O=C(CC1CCCN2CCCCC12)N1c2ccccc2Sc2ccc(Cl)cc21,CI,0
CC(Br)C(=O)N=[n+]1c2ccccc2nc2c3cccc4cccc(c43)[c-]21,CI,0
COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)c3ccccc3c(=O)n21,CI,0
COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0
Nc1cc2ncnn2c(SCC(=O)NN=CC(Br)=Cc2ccccc2)n1,CI,0
COC(=O)C1CC2(C3C=CN(C(=O)C(F)(F)F)C=C3)c3ccccc3N(C(=O)C(F)(F)F)C2N1C(=O)OC,CI,0
CC1(C)CC(O)C(O)C23C(=O)OC(O)C2C(C=O)=CCC13,CI,0
C=C1C(=O)OC2CC(C=O)=CC3OC3C(COC(=O)C(C)C)=CCC12,CI,0
C=C1C(=O)OC2CC3(COC(C)=O)C=COC=C(COC(=O)C(C)C)C3CC12,CI,0
O=P(c1ccccc1)(c1ccccc1)C(NCc1ccccc1)c1ccc(F)cc1,CI,0
[CH2-][Pd-2]1([CH2-])[n+]2cccc3ccc4ccc[n+]1c4c32,CM,1
[CH2-][Pd-2]1([CH2-])[PH](c2ccccc2)(c2ccccc2)CCC[PH]1(c1ccccc1)c1ccccc1,CI,0
[CH2-][Pd-2]1([CH2-])[N+](C)(C)CC[N+]1(C)C,CI,0
Cc1n[nH]c(=O)n1N=Cc1ccncc1,CI,0
O=c1[nH]nc(-c2ccccc2)n1Nc1ccccc1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1C1CCCC1,CI,0
O=c1[nH]nc(Cc2ccccc2)n1C1CC1,CI,0
CCc1n[nH]c(=O)n1-c1ccc2ccccc2c1,CI,0
O=c1[nH]nc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1,CI,0
COC(=O)C1CN(C(=O)CCc2ccccc2)C(=O)N1C(=O)OCc1ccccc1,CI,0
COC(=O)C1CN(C(=O)c2ccccc2)C(=O)N1C(=O)OCc1ccccc1,CI,0
COC(=O)C1CN(C(C)=O)C(=O)N1C(=O)OCc1ccccc1,CI,0
COC(=O)C1CN(C(=O)CCc2ccccc2)C(=O)N1,CI,0
COC(=O)C1CN(C(=O)c2ccccc2)C(=O)N1,CI,0
CC#[N+][Rh+2]1234[O+]=C5N(C(=O)CCc6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)CCc5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)CCc2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)CCc2ccccc2)CC1C(=O)OC,CI,0
CC#[N+][Rh+2]1234[O+]=C5N(C(=O)Cc6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)Cc5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)Cc2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)Cc2ccccc2)CC1C(=O)OC,CM,1
CC#[N+][Rh+2]1234[O+]=C5N(C(=O)c6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)c5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)c2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)c2ccccc2)CC1C(=O)OC,CM,1
CC#[N+][Rh+2]1234[O+]=C5N(C(C)=O)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(C)=O)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(C)=O)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(C)=O)CC1C(=O)OC,CI,0
CC#[N+][Rh+2]1234[O+]=C5OCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1OCC(C(=O)OC)[NH+]12)([O+]=C1OCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)OCC1C(=O)OC,CI,0
CC#[N+][Rh+2]1234[O+]=C5CCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1CCC(C(=O)OC)[NH+]12)([O+]=C1CCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)CCC1C(=O)OC,CI,0
Cc1csc2c(=O)n(C3OC(CO)C(O)C3O)c(=O)[nH]c12,CI,0
c1ccc(-c2csc3c2-n2cccc2C3N2CCCC2)cc1,CI,0
O=C1NC(=O)C(COCc2ccccc2)C2=C1SCCC2,CI,0
Oc1nc(O)c2c(n1)CC(c1ccccc1)S2,CI,0
CC(=O)OCCOCn1c2c(c(=S)[nH]c1=O)CCC2,CI,0
CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CCC2,CI,0
O=c1[nH]c(=O)n(COCCO)c2ccsc12,CI,0
CN(C)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCC=C3C4CCC3N=N4)cn2C)cn1C,CI,0
CCOc1nc(-c2ccccc2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N,CI,0
C=CC(C)(C)n1cc(C2=C3OC(=O)C(c4cn(C(C)(C)C=C)c5ccccc45)=C3OC2=O)c2ccccc21,CI,0
C=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)C(=C)NC(=O)C(C(C)(C)O)NC(=O)C(=C)NC(=O)c1coc(n1)C(=CC)NC(=O)C(C(C)O)NC(=O)c1csc-2n1)C(N)=O,CI,0
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=O)CCCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(c3ccco3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(C)=CCN1c2ccccc2C2(CC=C(C)C)CCN(C)C12,CI,0
O=S(=O)(O)c1cc(NC(=S)c2ccc3cccnc3c2O)ccc1C=Cc1ccc(NC(=S)c2ccc3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CM,1
CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=NO,CI,0
O=S(Nc1ccccc1)c1ccccc1Oc1ccccc1,CI,0
COc1ccc(NS(=O)C2CCCCC2)cc1,CI,0
COc1ccc(NS(=O)CCCc2ccccc2)cc1,CI,0
O=S(Nc1ccccc1)c1ccc(N2CCOCC2)cc1,CI,0
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c3[N+](=O)[O-])s2)c1[N+](=O)[O-],CI,0
O=[N+]([O-])c1ccc(Sc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(-[c-]2nc(Cl)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[n+]2=O)c([N+](=O)[O-])c1,CI,0
N#CC1(C#N)NC(c2cccs2)C(C#N)(C#N)NC1c1cccs1,CI,0
O=P1(Oc2ccccc2)OCC2SC(c3ccccc3)CC2O1,CI,0
OCC1SC(c2ccccc2)CC1O,CI,0
N#CC(=Cc1cc(O)c(O)c(I)c1)C(=O)NCCCc1ccccc1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=S)NCc1ccccc1,CI,0
N#CC(=Cc1ccccc1)S(=O)(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCc1ccc(O)c(O)c1,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1,CI,0
Clc1ccc(N=CC=CNc2ccc(Cl)cn2)nc1,CI,0
C(=CNc1ccc(-c2ccccc2)cc1)C=Nc1ccc(-c2ccccc2)cc1,CI,0
C(=CNc1ccc(Oc2ccccc2)cc1)C=Nc1ccc(Oc2ccccc2)cc1,CI,0
O=S(=O)(c1ccccc1)C(c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1,CI,0
NC(Cc1ccc(O)cn1)C(=O)NC(C(=O)O)c1ccccc1,CI,0
CCOC(=O)c1[nH]c2cccc3c2c1CCC(NC(=O)C(F)(F)F)C3=O,CI,0
N#Cc1c(Nc2ccccc2)n2[nH]c(=N)c(N=Nc3ccccc3)c2[nH]c1=N,CI,0
O=C1c2cc(Cc3ccccc3)c(=O)c(Cc3ccccc3)cc2C(=O)c2cc(Cc3ccccc3)c(=O)c(Cc3ccccc3)cc21,CI,0
c1ccc(N=C2SC(c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=C1c2ccccc2C=CC(c2ccccc2)=NN1c1ccccc1Cl,CI,0
Nc1nc(Cl)cc(OCC2(CO)CCCCC2)n1,CI,0
Nc1nc(Cl)cc(OCC2(CO)CC=CC2)n1,CI,0
Nc1nc(Cl)cc(OCC2(CO)CCCC2)n1,CI,0
O=[N+]([O-])c1cccnc1NCC1(CO)CC(Cc2ccccc2)C1,CI,0
O=c1ccn(CC2(CO)CCCC2)c(=O)[nH]1,CI,0
O=c1ccn(CC2(CO)CC(Cc3ccccc3)C2)c(=O)[nH]1,CI,0
NC(=O)c1ncn(CC2(CO)CCC2)c1N,CI,0
NC(=O)c1ncn(CC2(CO)CCC2)n1,CI,0
NC(=O)c1ncn(CC2(COC(=O)c3ccccc3)CCC2)n1,CI,0
Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CC(OCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CCC2)n1,CI,0
Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CC2)n1,CI,0
Nc1nc(Cl)cc(OCC2(CO)CC(OCc3ccccc3)C2)n1,CI,0
Nc1nc(Cl)cc(OCC2(O)CC(COC(=O)c3ccccc3)C2)n1,CI,0
C=C1CC(COc2cc(Cl)nc(N)n2)C1,CI,0
N=C1NC(NCC2(CO)CCC2)=CC(OCC2(CO)CCC2)N1,CI,0
Nc1nc(Cl)cc(NCCC2(CO)CCC2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC=CC2)n1,CI,0
Nc1nc(Cl)cc(NCC2(CO)CC(c3ccccc3)C2)n1,CI,0
C=C1CC(CNc2cc(Cl)nc(N)n2)C1,CI,0
Nc1nc(Cl)cc(NCC2(CO)COC2)n1,CI,0
Nc1nc(Cl)cc(NC2(CO)CCC2)n1,CI,0
I.OCCN(C1=NCCN1)[N+](=Cc1ccccn1)[CH-]c1ccccn1,CI,0
Cc1nnc2n(c1=O)CCCN2C.I,CI,0
Cc1nnc2n(c1=O)CCN2C.I,CI,0
I.O=C(NNC1=NCCCN1)c1ccco1,CI,0
CN(NC(=O)c1ccco1)C1=NCCCCN1.I,CI,0
C(Cc1ccc2c(c1)OCO2)=NNC1=NCCCCN1.I,CI,0
C(Cc1ccc2c(c1)OCO2)=NNC1=NCCCN1.I,CI,0
C(Cc1ccc2c(c1)OCO2)=NNC1=NCCN1.I,CI,0
c1cc2nsnc2c2c[nH]cc12,CI,0
O=c1[nH]c2nccn2c2c1SCCN2,CI,0
O=c1[nH]c2nccn2c(Cl)c1Br,CI,0
COCn1c(=O)n(C)c(=O)c2c1nc1c(c(=O)n(C)c(=O)n1COC)[n+]2[O-],CI,0
O=S1(=O)c2ccccc2C(Nc2ccccc2)N1c1ccccc1,CI,0
CN(C)c1ccc(-c2ccc(N(C)C)c3n[se]nc23)c2n[se]nc12,CI,0
Cc1c2ncccc2cc2oc3ccccc3c(=O)c12,CI,0
O=c1c2ccccc2oc2c1ccc1ncccc12,CI,0
COc1cc(C(=O)OC2C(OC)OC3COC(c4ccccc4)OC3C2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0
CCC1(O)CN(CCOC)C2CC1C(=O)c1[nH]c3ccccc3c12,CI,0
COCCNC1CCC(=O)c2[nH]c3ccccc3c21,CI,0
COc1cc2c(cc1O)C1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4Cc3ccc(O)cc3)C(C2)N1C,CI,0
Nc1nc([O-])c([I+]c2ccccc2)c(O)n1,CI,0
CN(C)c1ccc(C2=C([O-])c3cc(-[n+]4ccccc4)ccc3C2=O)cc1,CI,0
Clc1nc(Cl)c2sc(=[Se])sc2n1,CI,0
S=c1sc2nc(Cl)nc(Cl)c2s1,CI,0
O=c1nc2ccc3sc4ccccc4c(=O)c3n2c(=O)[nH]1,CI,0
O=C(NCCN1CCCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0
O=C(NCCN1CCOCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0
O=C(NCCc1ccccc1)c1c(O)nc2ccccc2c1O,CI,0
CCOC(=O)Cn1sc2ncc([N+](=O)[O-])cc2c1=O,CM,1
N#Cc1c(N2CCCC2)ncn(Cc2ccccc2)c1=O,CI,0
N#Cc1c(N2CCCC2)ncn(-c2ccccc2)c1=O,CI,0
Cn1cnc(N2CCCC2)c(C#N)c1=O,CI,0
N#CC(C(=O)NCc1ccccc1)=C(N)N1CCCC1,CI,0
COC(=O)C1=C(C)NC(CF)=C(C(=O)OC)C1c1cccc2c(=O)c3ccccc3oc12,CI,0
c1ccc2c3c([nH]c2c1)C1c2[nH]c4ccccc4c2CCN1CC3,CI,0
Nc1ncnc2c(C3OC(CO)C(O)C3O)nsc12,CI,0
Oc1nnnc2c1sc1ncccc12,CI,0
CC(=O)OCC1On2nnnc2C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(C)C1OC(=O)C=CC=CC=CC=CC=CCC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C=CC1C,CI,0
Cl.O=c1ccn2n1CCCCC2,CI,0
O=c1ccn2n1Cc1ccccc1C2,CI,0
O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCCC2,CI,0
O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCC2,CI,0
O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccn3)c2c1,CM,1
O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccc3Cl)c2c1,CI,0
O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccn1,CI,0
O=c1[nH]n(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12,CI,0
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N1Cc3ccccc3CCN21,CI,0
O=c1c2cccnc2n2n1Cc1ccccc1C2,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2c(ccc3ccccc32)oc1=O,CI,0
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(O)nc2ccccc2c1O,CI,0
CC1c2c(n(C3OC(CO)C(O)C3O)c(=O)[nH]c2=O)OC1c1ccccc1,CI,0
CC1c2c(O)nc(O)nc2OC1c1ccccc1,CI,0
CC(CC12CCC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)c1ccccc1,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC5CCC6(C)CC7C=CC6(OO7)C5(C)C)CCC4(C)C3CCC12C,CI,0
CC(CC12C=CC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)c1ccccc1,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC5CCC6(C)CC7CCC6(OO7)C5(C)C)CCC4(C)C3CCC12C,CI,0
COC(=O)CC12C=CC3(OO1)C(C)(C)CCCC3(C)O2,CI,0
CCCCOC(=O)OC1CCC2(C)CC3CCC2(OO3)C1(C)C,CI,0
CCCN(CCC)C(=S)Sc1nc(C)nc(N2CCN(c3nc(C)nc(SC(=S)N(CCC)CCC)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-],CI,0
CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1.Cl,CI,0
O=C1Nc2nccnc2C(=O)N2CCCC12,CI,0
CC(=O)OC1CC(C)C2(CC(O)c3ccoc3)C(=O)OCC13C2CCC(O)C31CO1,CI,0
CC(=O)OCC12C(=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(OC(C)=O)C21CO1,CI,0
COc1ccc(CC2COC(=O)C2Cc2ccc3c(c2)OCO3)cc1OC,CI,0
CC(=O)C1=CC=CC1=NNc1ccccc1,CI,0
O=C1c2cccn2-c2ccccc2OC1(CC1CC1)c1ccccc1,CI,0
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCc1ccccc1O2,CI,0
CC(=O)OC(c1nccn1Cc1ccccc1)C1OC(C)(C)OC1C1COC(C)(C)O1,CI,0
c1ccc(-c2nnc(-c3ccccn3)c3c2CC2CC4Cc5c(-c6ccccn6)nnc(-c6ccccn6)c5C4C32)nc1,CI,0
O=C(OCC1OC2OC(c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)OC2C1OC(=O)c1ccccc1)c1ccccc1,CI,0
Cc1n[nH]c(=O)n1Nc1ccccc1,CI,0
Cc1n[nH]c(=O)n1C1CC1,CI,0
CCOC(=O)NC(C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F,CI,0
CCc1cc2c(c3c1CCCC3)CC1(Cc3ccc(C(=O)OC)cc3C1)C2,CI,0
COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)C=CC2,CI,0
O=C1c2c(ccc3c2CCCC3)CC1Cc1ccc2c(c1)CCCC2,CI,0
O=C1c2ccccc2CC12Cc1ccc3c(c1C2=O)CCCC3,CI,0
O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCCC4)CCCC3,CI,0
O=C1CCc2cc3c(cc21)CC1(Cc2cc4c(cc2C1)CCCC4)C3,CI,0
O=C1CCCc2ccc3c(c21)CC1(Cc2cc4c(cc2C1)CCCC4)C3,CI,0
O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCC3,CI,0
C1=CC2=[S+][Mn+2]3([OH+]N2C=C1)[OH+]N1C=CC=CC1=[S+]3,CI,0
COc1cc2c3c(c1)SCCC(=O)N3CCN2,CI,0
COc1cc2c3c(c1)ncn3C(=O)CCS2,CI,0
CCOC1(C)Nc2cc(OC)cc3c2N1C(=O)CCS3,CI,0
COc1cc2c3c(c1)nnn3C(=O)CCS2,CI,0
COc1cc2c3c(c1)[nH]c(=S)n3C(=O)CCS2,CI,0
[N-]=[N+]=NCC1OCC(O)C(OCc2ccccc2)C1OCc1ccccc1,CI,0
c1cc2cc3c4c5c(cc6ccc7cc8cc9c%10c8c8c7c6c5c8c5c%10c(c1C9N1CCOCCOCCOCCOCCOCC1)c2c45)C3,CI,0
O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C([O-])C(=Cc2ccc(Cl)c(Cl)c2)C([O-])=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CCNC(=O)OCC1c2ccccc2-c2ccccc21,CI,0
O=C1C2=C(CCC2)C2OC1C1C(=O)OCC21,CI,0
O=S(=O)(Cc1nc2ccccc2s1)c1nc2ccccc2s1,CI,0
N#CC12CC3=C(N=C1NC1=C(CCc4ccccc41)C2)c1ccccc1CC3,CI,0
N#CC12CC=C(c3ccccc3)N=C1NC(c1ccccc1)=CC2,CI,0
CC[N+]1(CC)CCN[Co-4]123([O+]=C1C=CC=CC=C1[OH+]2)[O+]=C1C=CC=CC=C1[OH+]3.[O-][Cl+3]([O-])([O-])O,CI,0
ClCCN1CCN(CCCl)[Co-4]123([O+]=C1C=CC=CC=C1[OH+]2)[O+]=C1C=CC=CC=C1[OH+]3.[O-][Cl+3]([O-])([O-])O,CI,0
Cn1c(-c2ccccc2)c(CCNC(=O)C2CCC2)c2ccccc21,CI,0
O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C1CCCCC1,CI,0
O=C(NCCc1c[nH]c2ccccc12)C1CCCCC1,CI,0
O=C(NCCc1c[nH]c2ccccc12)C1CC1,CI,0
COc1ccc(C2=Nc3cc(C)c(C)cc3NC(c3ccccc3)C2)cc1,CI,0
O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)NC1CCCCC1NC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
c1ccc(C(NC2CCCCC2NCCNC2CCCCC2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(=O)NC1CCCCC1NC(=O)OC(C)(C)C,CI,0
O=C(NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
Cl.NC1CCCCC1NCCNC1CCCCC1N,CI,0
O=C(O)CN(CC(=O)O)C1CCCCC1N1CC(=O)OC(=O)C1,CI,0
N#CCN1CCCN(CC#N)CCN(CC#N)CCCN(CC#N)CC1,CI,0
CC(=O)C1C(=O)C(C(C)=O)C2C3C=CC(C3)C12,CI,0
O=C1CSC(C=Cc2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1,CI,0
O=C1CSC(C=Cc2ccccc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1,CI,0
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cn2)CC(C)N1,CI,0
COC(=O)C=C1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C,CI,0
CC(=O)ON1CCC(n2cc(C)c(=O)[nH]c2=O)C1,CI,0
COc1ccc(OC)c2c1C=CC(Br)=CC2,CI,0
CSC1=NN=C(SC)NN1,CI,0
S=C1NNC(=S)NN1,CI,0
CN1CCN(CC(=O)Nc2cccc3ccccc23)CC1,CI,0
Cc1n[nH]c(=O)n1N=Cc1cccnc1,CI,0
CC(=O)OC1CN(OCC2OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC(OC(C)=O)C1OC(C)=O,CI,0
N=c1[nH]n2c(C(Br)Br)cc(C(Br)Br)nc2c1[N+](=O)[O-],CI,0
CC(=O)OC1CC2C(OC(C)=O)C=C3CC(C)(C(=O)C(O)C(=C1C)C2(C)C)C(O)CC3OC(=O)C(O)C(c1ccccc1)N(C)C,CI,0
Cc1nn(-c2ccccc2)c2nc(S)cnc12,CI,0
Cl.N=C(N)c1ccc(C(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,CM,1
CC(C)(C)OC(=O)N1CCc2c(n(CC=Cc3ccccc3)[nH]c2=O)C1,CI,0
CC(C)(C)OC(=O)N1CCc2[nH][nH]c(=O)c2C1,CI,0
CC(=O)C(C)C(=O)N1C(=O)OCC12C1CCC(C1)C2(C)C,CI,0
CC(C)(C)C1NC(=O)CN1C(=O)OCc1ccccc1,CI,0
O=[N+]([O-])c1ccc2c(c1)c1nn2CCCCOc2nn(c3ccc([N+](=O)[O-])cc23)CCCCO1,CI,0
CCN(CC)c1nc(=O)c(C(=O)C(C)(C)C)c(C(C)(C)C)o1,CI,0
CC1=C2c3ccccc3N(S(=O)(=O)c3ccccc3)C2C(C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)CC1,CM,1
CN1c2ccccc2C2=C(c3ccccc3)CCC(C(=O)N3C4CC5CCC4(CS3(=O)=O)C5(C)C)C21,CI,0
COc1cc(Br)cc2nc(-c3cccs3)oc12,CI,0
COCn1c(C)c(C)c2c(=O)oc(=O)[nH]c21,CI,0
Cc1sc2[nH]c(=O)oc(=O)c2c1C,CI,0
COCN1C(N)=C(C(=O)OC(C)(C)C)C2=CC(=O)C=CC21C,CI,0
CC(C)(C)OC(=O)C1=C(N)N(Cc2ccccc2)C2(C)C=CC(=O)C=C12,CI,0
O=C(CSCc1cc(S(=O)(=O)O)c2cccnc2c1O)Nc1ccc(C=Cc2ccc(NC(=O)CSCc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O,CI,0
[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COC(c1ccccc1)C(c1ccccc1)OCc1cccc(n1)COC(c1ccccc1)C(c1ccccc1)OC2,CI,0
[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COC(c1ccccc1)C(c1ccccc1)OCCOCCOC(c1ccccc1)C(c1ccccc1)OC2,CI,0
O=C(NCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NCCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
Cl.O=C(NCCCN1CCN(CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NCCCNCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
Cl.O=C(NCCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NCCNCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,CI,0
COc1ccc2[nH]cc(C3C4CCC(C4)C3NCc3cccc(CNC4C5CCC(C5)C4c4c[nH]c5ccc(OC)cc45)c3)c2c1,CI,0
COc1ccc(C=C2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1OC,CI,0
CC1(O)C2C(=NO)C3CC1(c1ccccc1)CC(C3=NO)C2c1ccccc1,CI,0
ON=C1CC2(N3CCOCC3)CCC1(c1ccccc1)CC2,CI,0
O=C1OC2C(I)C3C4CCC3C2C14,CI,0
Cn1c2c(c3ccccc31)CCN=C2C1CCCOC1=O,CI,0
CCN(c1ccccc1)c1nc(N)nc(NS(=O)(=O)c2cc(C)c(Cl)cc2S)n1,CM,1
CCC1C(C)C=CN1c1nc(N)nc(NS(=O)(=O)c2cc(C)c(Cl)cc2S)n1,CM,1
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3CCCCC3)n2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)N=C(NN)NNc2cccc(C(F)(F)F)n2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC(=NN)Nc2ccc(Cl)cc2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)NC(=NN)NCCc2ccccc2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3cnc4ccccc4n3)[nH]2)c(S)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3ccccc3)[nH]2)c(S)cc1Cl,CM,1
Cc1cc(S(=O)(=O)Nc2nnc3cnc4ccccc4n23)c(S)cc1Cl,CM,1
Cc1ccc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2n1,CI,0
COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C(N)=O.O=S(=O)(O)O,CI,0
CCOC1(OCC)C2C=CC1C(COS(=O)(=O)c1ccc(C)cc1)C2COS(=O)(=O)c1ccc(C)cc1,CI,0
O=C1C2C=CC1C1C(=O)OC(=O)C21,CI,0
COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1COCC12,CI,0
NC(=O)NN=C1CC2C3CC4C2C4C13,CI,0
C1CCCCCC2=C(CCCC1)CSCCCS2,CI,0
C=C1CCCCCCCCCCC12SCCCS2,CI,0
Cc1ccc(S(=O)(=O)NN=C2CC3CCC4CC2CC34)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CC3CC4CCC2C4C3)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=C2C3CC4CCC2C4C3)cc1,CI,0
COCCOCCOCCOc1ccc(C(C#N)N(CCc2ccccc2)C(=O)c2cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)c2)cc1,CI,0
CC(=NNC(=O)NN=C(C)c1ccccn1)c1ccccn1,CI,0
O=S1(=O)c2ccccc2N2C(c3ccccc3)=NOC2(c2ccccc2)CC1c1ccc(Br)cc1,CI,0
c1ccc(C2=NOC3(c4ccccc4)CC(c4cccs4)Sc4ccccc4N23)cc1,CI,0
CC1CC2(C)ON=C(c3ccccc3)N2c2ccccc2S1,CI,0
Cc1ccc(S(=O)(=O)OC2=CC(=Nc3onc(C)c3C)c3ccccc3C2=O)cc1,CI,0
Cc1oncc1N=C1C=C(O)C(=O)c2ccccc21,CI,0
Cc1cc(N=C2C=C(O)C(=O)c3ccccc32)no1,CI,0
Cc1nc(C)c(Cc2ccccc2)o1,CI,0
CN1C(=O)C(c2c[nH]c3ccccc23)N(C)C(=O)C1c1c[nH]c2ccccc12,CI,0
CC(=O)Oc1ccc(OC(Oc2ccccc2)c2ccccc2)cc1,CM,1
O=C(Oc1ccc(OC(Oc2ccccc2)c2ccccc2)cc1)c1ccccc1,CI,0
OC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2,CI,0
COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2,CM,1
COc1ccc2c(c1)C(=O)C1CCC(=O)N1C2c1ccc2c(c1)OCO2,CI,0
COc1cc2c(c(O)c1OC)C(O)C1CCC(=O)N1C2c1ccc2c(c1)OCO2,CI,0
O=C1CCC2C(O)c3cc4c(cc3C(c3ccc5c(c3)OCO5)N12)OCO4,CI,0
CC(C)(O)C1=CC=CCCCCCCCCCC1,CI,0
O=C(O)c1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccccc1,CI,0
C(=Cc1nnnn1-c1ccccc1)Nc1ccccc1,CI,0
C(=CN1CCCCC1)c1nnnn1-c1ccccc1,CI,0
O=C(O)C1C(C2CCCCC2)OC(C2CCCCC2)OC1C(F)(F)F,CI,0
CC(C)C1ON1C(C)c1ccccc1,CI,0
Cn1c(=O)c2nc(N=Nn3ccc4ccccc43)[nH]c2n(C)c1=O,CI,0
O=C(Nc1noc(-c2ccccc2)n1)c1ccccc1CNc1noc(-c2ccccc2)n1,CI,0
CC(=O)OCC1OC(n2c(Br)nc3c2c(=O)n(C)c(=O)n3C)C(OC(C)=O)C1OC(C)=O,CI,0
Cn1c(=O)c2c([nH]c(=N)n2C2OC(CO)C(O)C2O)n(C)c1=O,CI,0
COC(=O)CCC12CCC(O1)c1ccccc12,CI,0
CC[N+]1(CC)CCN2CCN[Co-4]213([N+](=O)[O-])[O+]=C(C)C=C(C)[OH+]3.[O-][Cl+3]([O-])([O-])O,CI,0
CSC1=Nc2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c2C1,CI,0
O=C1CC(C(CC(=O)c2ccccc2)c2ccccc2)C(=O)c2ccccc2N1,CI,0
COc1ccc(SCc2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1,CI,0
O=C(NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(O)c1O,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCNCCCNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1,CI,0
O=C(NCCCNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1cc(-c2ccccc2)nc2ccccc12,CI,0
O=C(NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(OCc2ccccc2)c1OCc1ccccc1,CI,0
O=C(O)C(Cc1ccccc1)NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12,CI,0
Cc1cc(=O)oc2c(CNC(Cc3ccccc3)C(=O)O)c(O)ccc12,CI,0
COc1c(-c2cc(C)c(Cl)c(O)n2)c(O)c(OC)c2occc12,CI,0
COc1ccc(N=Nc2c(-c3c(OC)cc4occc4c3OC)nc(O)c(C#N)c2C)cc1,CI,0
COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C,CI,0
COc1ccc(C(=NO)c2ccccc2C2=Nc3ccccc3C(NCc3ccccc3)O2)cc1C,CI,0
COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C,CI,0
COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C,CI,0
COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C,CI,0
CC1(C)COC(c2ccc(C(=O)c3ccc(Cl)cc3)cc2)=N1,CI,0
CC1(C)COC(c2cccc(C(O)c3ccc(Cl)cc3)c2)=N1,CI,0
Cn1c(=O)oc2cc(C(O)CN3CCN(Cc4ccccn4)CC3)c(Cl)cc21,CI,0
Cn1c(=O)oc2cc(C(O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21,CI,0
Cn1c(=O)oc2cc(C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(Cl)cc21,CI,0
COC(C)(C)C1CCCN1C1=C(C)C(=O)OC1,CI,0
Br.C(=NNC1=NCCN1)c1cccc2cc3ccncc3nc12,CI,0
Cc1ccc(C2=Nc3cc(C)c(Cl)cc3S(=O)(=O)NN2)cc1,CI,0
Cc1cc2c(cc1Cl)S(=O)(=O)OC(c1ccc([N+](=O)[O-])cc1)=N2,CI,0
COc1ccc2c(c1)OCC1c3cc(NS(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c3OC21,CM,1
COc1ccc2c(c1)OCC1c3cc(NS(=O)(=O)c4ccccc4)cc(OC)c3OC21,CI,0
COc1ccc2c(c1)OCC1c3cc(NC(=O)c4ccccc4)c(OC)cc3N(S(=O)(=O)c3ccccc3)C21,CI,0
O=C(Cc1nccc2c1[nH]c1ccccc12)OC1C#CCSCC#CC=C1,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)N1CCOCC1,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)N1CCCCC1,CI,0
O=[N+]([O-])C(=C(NCc1ccccc1)NCc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
CC1C2CC(C(S(=O)(=O)N3CCOCC3)C2=NO)C1(C)C,CI,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C,CI,0
O=C(c1ccccc1)N1N=C(C(F)(F)F)CC1(O)C(F)(F)F,CI,0
CC(C)c1c(P(=O)(c2ccccc2)c2ccccc2)n(C)c2ccccc12,CI,0
CC(=O)N1c2ccccc2C2=NN(C)C(=N)SC21,CI,0
CC(=O)N1c2ccccc2C2=NN=C(N(C)C)SC21,CI,0
CSc1nc(NC2CCCC2)c2cc[nH]c2n1,CI,0
COc1cc2c3c(c1)[nH]c(=S)n3C(=O)C(c1ccccc1)S2,CI,0
COc1cc2c3c(c1)SC(c1ccccc1)C(=O)N3CCN2,CI,0
COc1cc2c3c(c1)nnn3C(=O)C(c1ccccc1)S2,CI,0
O=C1c2ccccc2-c2nccc3c2c1nc1ccccc13,CI,0
CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N(C)C)C4(C)C)N(C)C,CI,0
CCOC(=N)n1c(=O)n(C2=NCCN2)c2ccccc21,CI,0
CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)OC1(C)OC(=O)c2ccc(C(F)(F)F)cc2O1,CI,0
Clc1cccc(-c2nc3cccc4c3n2Cc2ncccc2-4)c1,CI,0
Cc1ccc(CC[PH](=O)CCc2ccc(C)nc2)cn1,CI,0
O=C1OC2(C(F)(F)F)Oc3ccccc3CN2C12CCCCC2,CI,0
O=C1Oc2cc3c(c4cccc1c24)OC(c1ccccc1)C(c1ccccc1)C3c1ccc(Cl)cc1,CI,0
O=C1OC2=CC(=Cc3ccccn3)C(=O)c3cccc1c32,CI,0
COc1cc2c(cc1OC)C(C1CC1)ON(C)CC2,CM,1
C=C(c1ccccc1)C1ON(C)CCc2cc(OC)c(OC)cc21,CI,0
C=CC1ON(Cc2ccccc2)CCc2cc(OC)c(OC)cc21,CI,0
C=CC1ON(C)CCc2cc(OC)c(OC)cc21,CI,0
CCOC(=O)C(C#N)=Cc1ccc(SCc2ccco2)c([N+](=O)[O-])c1,CI,0
S=c1sc2c(s1)SCCS2,CI,0
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)cc1,CI,0
COC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C1CCCCC1,CI,0
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1C(=O)OCc1ccccc1,CI,0
COC(=O)C1CC1NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)OCc2ccccc2)CCNC1=O,CI,0
CC(OC(C)(C)C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(N)CCCCNC(=O)OC(C)(C)C)C(C)OC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CSC(C)(C)C)C(=O)OC(C)(C)C,CM,1
NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O,CI,0
CC(OC(C)(C)C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)C(Cc2ccccc2)NC1=O,CI,0
COC(=O)C1(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)OC(C)(C)C)CCCC1,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)OCc1ccccc1,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)OCc1ccccc1,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O,CI,0
CC(C)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1.Cl,CI,0
c1n[nH]cc1C12C3C4C5C3C1C5C42,CI,0
c1cnn(C23C4C5C6C4C2C6C53)c1,CI,0
c1nncn1C12C3C4C5C3C1C5C42,CI,0
c1ncn(C23C4C5C6C4C2C6C53)n1,CI,0
c1ncc(C23C4C5C6C4C2C6C53)[nH]1,CI,0
c1c[nH]c(C23C4C5C6C4C2C6C53)n1,CI,0
c1cn(C23C4C5C6C4C2C6C53)cn1,CI,0
COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1c3cc(O)c(OCc4ccccc4)cc3OC21,CI,0
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OCC2CC(C1OC(C)=O)N(Cc1ccccc1)O2,CI,0
CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NO)C(C)OCc1ccccc1,CI,0
CC(OCc1ccccc1)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2cn(C=O)c3ccccc23)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)NC(C(C)OCc2ccccc2)C(=O)N1)C(N)=O,CI,0
CC(=O)O.CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1,CI,0
CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NC(C(N)=O)C(C)O)C(C)O,CI,0
CC(O)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2cn(C=O)c3ccccc23)C(=O)NC(CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(C(C)O)C(=O)N1)C(N)=O,CI,0
CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N(C)C1(C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)CCCC1,CI,0
CN(C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)CCCC1,CI,0
CC(OC(C)(C)C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1,CI,0
CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,CI,0
O=C(NC1C(=O)NC(CCc2ccccc2)NC1=O)OCc1ccccc1,CI,0
[Cl-].c1ccc(COc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,CI,0
CC(=O)N1C(=O)c2cc3ccccc3cc21,CI,0
CC(C)OC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NC(=O)C1C(C)(C)CCC1(C)C,CI,0
CC(C)(C)OC(=O)NC1CCN(C2CCCCC2)C1=O,CI,0
CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NCC(N)=O,CI,0
CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1C(=O)NCC(N)=O,CI,0
CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1C(=O)NCC(N)=O,CM,1
NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCCNOC(=O)CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N1,CI,0
CC(C)CC1NC(=O)CCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O,CI,0
CCCC1(CCC)c2cc(C=NO)ccc2-c2ccc(-c3ccc(C(C)(C)C)cc3)cc21,CI,0
CC1(CC2=C(Br)CCCC2)C(=O)CC=C1O,CI,0
c1ccc2c(c1)c1c(n2CCOCCCN2CCCCC2)CCCC1,CI,0
c1ccc2c(c1)c1c(n2CCOCCN2CCOCC2)CCCC1,CI,0
CCN(c1cccc(NC(=S)Nc2ccccc2N(CC)c2cc(-c3ccccc3)no2)c1)c1cc(-c2ccccc2)no1,CI,0
CCn1nc(-c2ccccc2)c2c1N(C)c1ccccc1-n1c(-c3ccccc3)nnc1-2,CI,0
CCN1c2ccccc2-n2c(C)nnc2-c2c(-c3ccccc3)n[nH]c21,CI,0
CSC1=Nc2ccccc2N(C)c2c1c(-c1ccccc1)nn2C,CI,0
CCN1c2ccccc2NC(=S)c2c(-c3ccccc3)n[nH]c21,CI,0
CCC1(CC)OC(C(O)CCc2ccccc2O)C(C(O)CCc2ccccc2O)O1,CI,0
CC1CCC(C(C)C)C(OC(=O)C=C2C3C=CC(O3)C2C(=O)OC2CC(C)CCC2C(C)C)C1,CI,0
COc1cc2c(c3c1C(O)C(C)C(C)O3)C=CC(C)(C)O2,CI,0
S=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1,CI,0
Cc1nnc2n1-c1ccccc1-c1[nH]c3ccccc3c1C2,CI,0
CN(C)c1cccc2c1C(=O)C=CC21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)C(c2ccccc2)C1c1ccccc1,CI,0
CN(C)c1cccc2c1C(=O)C=CC21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23,CI,0
Cc1ccc(S(=O)(=O)NN=C2CC(C)OC3=C2CCCCCC3)cc1,CI,0
C=CCOC(=O)NC1C(OC(C)C(NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
N#Cc1cccc(Nc2ccccc2SSc2ccccc2Nc2cccc(C#N)c2)c1,CM,1
CCCN(CCC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C)cnc12,CI,0
CCCN(CCC)C(=O)c1c(Cl)c2cccnc2n2c(C)cnc12,CI,0
O=[n+]1onc(-c2ccccc2)[c-]1-c1no[n+]([O-])c1-[c-]1c(-c2ccccc2)no[n+]1=O,CI,0
O=C1c2cscc2C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c21,CI,0
COC(=O)C1(C(=O)OC)CC(=O)c2c(OC(=O)c3cccc(OC)c3C#N)ccc(OC(=O)c3cccc(OC)c3C#N)c2C1,CI,0
COc1cccc(C(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1C#N,CI,0
CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)c1cccc(OC)c1C3=O,CI,0
N#CC(c1cc2c(cc1Br)OCO2)N1CCOCC1,CI,0
CC1=C(C(=O)O)CCC2(C)C3=C(CCC12)C(=O)C(C(C)C)=CC3=O,CI,0
OCC1CC(c2nnn[nH]2)C(O)C1O,CI,0
CC1(C)OC2C(C#N)CC(COC(=O)c3ccccc3)C2O1,CI,0
Cc1cc(=O)n2nc(SCc3ccccc3)sc2n1,CI,0
CN(c1cn(C2CCC(CO)O2)c(=O)[nH]c1=O)C1CCCCC1,CI,0
Cc1ccc(C(=O)OCC2CCC(n3cc(N(C)C4CCCCC4)c(=O)[nH]c3=O)O2)cc1,CI,0
N#Cc1ccc(C2NN=CC23C(=O)c2ccccc2OC3c2ccccc2)cc1,CI,0
CCOC1NC(N=Cc2ccc(OC)cc2)=C(C#N)C1C#N,CI,0
O=c1c2cc([N+](=O)[O-])ccc2n2n1Cc1ccccc1CC2,CI,0
O=c1[nH]n(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc12,CI,0
CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c(cc3c(Cl)cccc32)c1O,CI,0
COC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(C)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1,CI,0
CC1OC2(CC(OCc3ccccc3)C1OCc1ccccc1)OCCO2,CI,0
CC(CCOc1c2ccoc2cc2oc(=O)ccc12)C1=CC(=O)C(C)(C)O1,CI,0
O=C(OC1C2OC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OCC3OC(O)C(OC(=O)c5cc(O)c(O)c(O)c5Oc5cc6c(c(O)c5O)-c5c(cc(O)c(O)c5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)c1cc(O)c(O)c(O)c1)C3OC4=O)c1cc(O)c(O)c(O)c1,CM,1
COC(=O)CC1(O)C(C=Cc2ccccc2)C(C(=O)OC)C(=O)C(C(=O)OC)C1C(=O)OC,CI,0
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccccc1)C2C(=O)OC,CI,0
O=C(O)c1cc(O)nc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)cc(O)nc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0
C=C1C(=O)OC2C1CC(=O)C(C)=CCCC1(C)OC21,CI,0
CC1=CCCC2(C)OC2C2OC(=O)C(C)C2CC1O,CI,0
C=C1C(=O)OC2C1CC(O)C1(C)OC1CCC1(C)OC21,CI,0
NC(CCCCCP(=O)(c1ccccc1)C1C=CC=CC1)C(=O)O,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F,CI,0
CCC1(COC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)COC1,CI,0
CCOC(=O)C(NC(=O)Nc1ccccc1)(Nc1cccc(Cl)c1)C(F)(F)F,CI,0
Cc1ccccc1NC(=O)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F,CI,0
CC1CN=C(N(C(=O)Nc2ccccc2)C2CCCCC2)S1,CI,0
CC1CN=C(NCc2ccccc2)S1,CI,0
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1,CI,0
O=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1,CI,0
O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1,CI,0
CC(c1ccccn1)=[N+]1[N-]C(N)=[S+][AlH3-]12[OH+]B(c1ccccc1)[OH+]2,CI,0
CC(c1cccs1)=[N+]1[N-]C(N)=[S+][AlH3-]12[OH+]B(c1ccccc1)[OH+]2,CI,0
CC1C(=O)N(c2ccccc2)NC12CCCc1ccccc12,CI,0
COc1ccc(N2NC(c3ccccc3)(c3ccccc3)C(C)C2=O)cc1,CI,0
S=c1[nH]nc(-c2ccccc2Cl)o1,CI,0
c1ccc2sc(SSSSc3nc4ccccc4s3)nc2c1,CI,0
c1ccc2[nH]c(SSSSc3nc4ccccc4[nH]3)nc2c1,CI,0
Nn1c(SSSSc2nnc(-c3ccccc3)n2N)nnc1-c1ccccc1,CI,0
c1ccc(-c2nnc(SSSSc3nnc(-c4ccccc4)o3)o2)cc1,CI,0
c1ccc2c(c1)SC1=[S+][Fe-2]3([S-2][Fe-2]4([S+]=C5Sc6ccccc6[NH+]54)[S-2]3)[NH+]12,CI,0
c1ccc2c(c1)NC1=[S+][Fe-2]3([S-2][Fe-2]4([S+]=C5Nc6ccccc6[NH+]54)[S-2]3)[NH+]12,CI,0
NN1C(c2ccccc2)=N[NH+]2C1=[S+][Fe-2]21[S-2][Fe-2]2([S+]=C3N(N)C(c4ccccc4)=N[NH+]32)[S-2]1,CI,0
c1ccc(C2=N[NH+]3C(=[S+][Fe-2]34[S-2][Fe-2]3([S+]=C5OC(c6ccccc6)=N[NH+]53)[S-2]4)O2)cc1,CI,0
CN1C(=O)C2C=C3CCCCC3=CC2N(C)C1=O,CI,0
C#CCC(C#C)N(CCc1ccsc1)Cc1ccccc1,CI,0
O=C(OC1C#CCSCC#CC=C1)c1ccc2c(c1)C(=O)c1ccccc1C2=O,CI,0
O=C(OC1C=C=CS(=O)(=O)CC#CC=C1)c1cnc2ccccc2n1,CI,0
CCCCCCCN1C(=O)C(O)(c2ccc(C3(O)C(=O)N(CCCCCCC)c4ccccc43)s2)c2ccccc21,CI,0
O=C(c1c(F)c(F)c(F)c(F)c1F)n1c(=S)n(C(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21,CI,0
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1=S,CI,0
Cc1nc2ccccc2n1C(=O)c1c(F)c(F)c(F)c(F)c1F,CI,0
O=C(c1c(F)c(F)c(F)c(F)c1F)n1c(=O)[nH]c2ccccc21,CI,0
Fc1c(F)c(F)c2c(c1F)CSc1nc3ccccc3n1-2,CI,0
O=c1c2c(F)c(F)c(F)c(F)c2sc2nc3cccc4cccc(c43)n12,CI,0
O=C1c2c(F)c(F)c(F)c(F)c2SC2=NCCN12,CI,0
O=c1c2c(F)c(F)c(F)c(F)c2sc2nccn12,CI,0
O=c1c2c(F)c(F)c(F)c(F)c2sc2nc3ccccc3n12,CI,0
Cc1nnc2sc(NN=Cc3ccccc3)nn12,CI,0
Cc1n2[nH]c(=N)sc2n[n+]1Cc1ccccc1.[Br-],CI,0
Cc1n[n+](Cc2ccccc2)c2sc(=N)[nH]n12.[Br-],CI,0
N=C1N2N=C(c3ccccc3)SC2=N[NH+]1CC(=O)c1ccccc1.[Br-],CI,0
Cc1n2[nH]c(=N)sc2n[n+]1CC(=O)c1ccccc1.[Br-],CI,0
Cc1n[n+](CC(=O)c2ccccc2)c2sc(=N)[nH]n12.[Br-],CI,0
N=c1[nH][n+](CC(=O)c2ccccc2)c2sc(-c3ccccc3)nn12.[Br-],CI,0
COCC(Cc1ccccc1)N=Cc1ccccc1,CI,0
Cc1cc(Cl)c2c(c1)C(=NO)C(=Cc1ccco1)O2,CI,0
Cc1cc(Cl)c(O)c(C2(C(O)c3ccc(O)cc3)NC(=S)NC2=O)c1,CI,0
Cc1cc(Cl)c(O)c(C(=O)C(=O)C(O)c2ccc3c(c2)OCO3)c1,CI,0
COc1ccc(C(Cl)=C(CNc2ccccn2)c2ccccc2)cc1OC,CI,0
Cn1c(CCC2(C)Cc3ccccc3C(=O)O2)cc2ccccc2c1=O,CI,0
COc1cc(CN(C)N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc(OC)c1OC,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(Cc3cc(OC)c(OC)c(OC)c3)Cc3cc(OC)c(OC)c(OC)c3)c2c1,CI,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1,CI,0
CC1SC(c2ccc(Cl)cc2Cl)N(NC(=O)c2ccncc2)C1=O,CI,0
COC(=NN1CC1C(F)(F)F)c1ccncc1,CI,0
CN(C)CCn1c2ccccc2c2nc3cc4ccccc4cc3nc21.Cl,CI,0
CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(CC)c1=S,CI,0
CSc1nc2c(=O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2s1,CI,0
COC(=O)C(=CNc1cccc(C)n1)S(=O)(=O)c1ccc(C)cc1,CI,0
C=CC1(c2ccc3ccccc3c2)OCC(CC)(CC)CO1,CI,0
C=CC1(c2ccc3ccccc3c2)OCC(CC)O1,CI,0
C=CC1(c2ccc(-c3ccccc3)cc2)OCCO1,CI,0
Cn1c2c(c3ccccc31)CCN1C(=O)CN(C(=O)C3CCCCC3)CC21,CI,0
O=C(NC(CCCCN1C(=O)c2ccccc2C1=O)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1,CI,0
COC(=O)C(C)(C)C1OC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)C1C(C)C,CI,0
Cc1cc(C23OC4COC(C)(C)OC4C2OC(C)(C)O3)ncn1,CI,0
Cc1cc(C23OC4COC(C)(C)OC4C2OC(C)(C)O3)nc2ccccc12,CI,0
CC1(C)OCC(C2OC3OC(C)(C)OC3C2c2ccccc2)O1,CI,0
Cc1cc(CC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)c2ccccc2n1,CI,0
C(=Cc1ccccc1)COc1ccccc1C(N1CCOCC1)n1nc2ccccc2n1,CI,0
CCOC(=O)C=CCCCC(N1CCCC1)n1nnc2ccccc21,CI,0
O=C(O)CN(CC(=O)O)Cc1ccn(-c2cccc(-n3ccc(CN(CC(=O)O)CC(=O)O)n3)n2)n1,CI,0
O=C(Oc1c(Br)cc(Br)cc1C(=O)Oc1ccccc1)C(=O)Oc1c(Br)cc(Br)cc1C(=O)Oc1ccccc1,CI,0
CCCCCCCCCCCC(=O)Oc1c(Cl)cc(Cl)c(OC(=O)C(=O)Oc2c(Cl)cc(Cl)c(OC(=O)CCCCCCCCCCC)c2Cl)c1Cl,CI,0
Cc1ccc(N=c2oc3c(ccc4ccccc43)nc2Nc2ccc(C)cc2)cc1,CI,0
COC(=O)c1sc2nc(Nc3ccccc3)c(=Nc3ccccc3)sc2c1C,CI,0
Cc1ccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3nc2Nc2ccc(C)cc2)cc1,CI,0
O=[N+]([O-])c1ccc2oc(=Nc3ccccc3)c(Nc3ccccc3)nc2c1,CI,0
c1ccc(N=c2sc3ccccc3sc2=Nc2ccccc2)cc1,CI,0
COc1ccc(N=C2SC(=NN=c3sc4ccccc4n3C)SC2=Nc2ccc(OC)cc2)cc1,CI,0
Cc1ccc(N=C2SC(=NN(C)C)SC2=Nc2ccc(C)cc2)cc1,CI,0
COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3)C(=S)N2N=C=C2Sc3ccccc3N2C)cc1,CI,0
Oc1ccccc1C=NN1C(=S)N(C23CC4CC(CC(C4)C2)C3)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
Oc1cc(N2CCCC2)ccc1C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
Oc1ccccc1C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
O=c1oc2ccccc2cc1C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
O=C(C=Cc1ccccc1)C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
S=C1N(N=Cc2c3ccccc3cc3ccccc23)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
N=C1N(N=Cc2ccccn2)C(=Nc2ccccc2)C(=S)N1c1ccccc1,CI,0
CCOC(=O)c1ccc(N=C2C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2N=Cc2ccccc2)cc1,CI,0
COc1ccc(N=C2C(=S)N(c3ccc(OC)cc3)C(=NS(=O)(=O)c3ccccc3)N2c2ccccc2)cc1,CI,0
S=C1C(=Nc2ccccc2)N(C2CCCCC2)C(=NC2CCCCC2)N1c1ccccc1,CI,0
S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2ccccn2)N1c1ccccc1,CI,0
S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2cccc[n+]2Cc2ccccc2)N1c1ccccc1.[Br-],CI,0
N=C1N(c2ccccc2)C(=S)C(=Nc2ccccc2)N1c1ccccc1,CI,0
O=C(c1ccccc1)N1C(=S)N=C(Nc2ccccc2)C1=Nc1ccccc1,CI,0
CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
O=C(c1ccccc1)N1C(=S)N(c2ccccn2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
COc1ccc(N2C(=O)C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=S)cc1,CI,0
O=C1C(=O)N(C2CCCCC2)C(=S)N1C1CCCCC1,CI,0
O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=S)N1c1ccccc1,CI,0
c1ccc(N=C2C(=Nc3ccccc3)N(C3CCCCC3)C(=NC3CCCCC3)N2c2ccccc2)cc1,CI,0
COc1ccc(C(=O)N=C2N(c3ccccc3)C(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1,CI,0
O=C(N=C1N(c2ccccc2)C(=O)C(=O)N1c1ccccc1)c1ccccc1,CI,0
O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1,CI,0
O=C1N=C(Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)NN=c2sc3ccccc3n2C)cc1,CI,0
O=C1CCCCC1=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
c1ccc(N=C2SC3=NCCN3C2=Nc2ccccc2)cc1,CI,0
c1ccc(N=C2Sc3nc4cccc5cccc(c54)n3C2=Nc2ccccc2)cc1,CI,0
COc1ccc(N=C2SC(=NC(=Nc3ccccc3)SCc3ccccc3)N(c3ccccc3)C2=Nc2ccc(OC)cc2)cc1,CI,0
O=C1c2ccccc2C(=O)N1N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1,CI,0
c1ccc(N=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1,CI,0
Cc1ccc(N=C2SC(=S)N(CCC[N+](C)(C)C)C2=Nc2ccc(C)cc2)cc1.[I-],CI,0
S=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc2ccccc2c1,CI,0
O=C(O)c1cc([N+](=O)[O-])cc2c(=O)c3cnccc3[nH]c12,CI,0
O=C(O)c1ccc([N+](=O)[O-])c2cc3cnccc3nc12,CI,0
COc1ccc(C2C3=CONC3CC3CCCCC32)cc1,CI,0
COc1ccc(C2c3c[nH]nc3CC3CCCCC32)cc1,CI,0
N=C1Nc2ccccc2Sc2nnc(-c3ccc(Cl)cc3)n21,CI,0
N=C1Nc2ccccc2Sc2nncn21,CI,0
N=C1Nc2ccccc2Sc2nccn21,CI,0
CCOC(=O)c1c(O)nc2cccc3sc4ncccc4c1c23,CI,0
COC1OC(CO)C(NC2=NC3C(O2)C(O)C(O)C3(O)CO)C(O)C1O,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCCc1cccc2ccccc12,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc2ccccc2c1,CI,0
O=C(OCc1c(-c2ccccc2)nn(-c2ccccc2)c1COC(=O)Oc1ccccc1)Oc1ccccc1,CI,0
COC(=O)C(C#N)=C(NCc1ccccc1)Nc1ccccc1,CI,0
COC(=O)C(C#N)=C(Nc1ccccc1)N1CCOCC1,CI,0
COC(=O)C(C#N)=C(Nc1ccccc1)N1CCCCC1,CI,0
COC(=O)C(C#N)=C(Nc1ccccc1)N1CCCC1,CI,0
NCCNC(=Nc1ccccc1)Nc1ccccc1,CI,0
CCN(CC)CCN(C(=Nc1ccccc1)N1CCOCC1)c1ccccc1,CI,0
c1ccc(N=C(N2CCOCC2)N(CCN2CCOCC2)c2ccccc2)cc1,CI,0
c1ccc(N=C(N2CCCCC2)N(CCN2CCCCC2)c2ccccc2)cc1,CI,0
c1ccc(N=C(N2CCCC2)N(CCN2CCCC2)c2ccccc2)cc1,CI,0
CCOC(=O)c1c(SC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SC(=O)C=Cc2ccccc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccco1,CI,0
O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1cccs1,CI,0
CC(C)(Oc1ccccc1)C(=O)Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0
CCC1ON(C)C2CN(C)C(=O)C12,CI,0
CC1CC(C#N)=C2NCCCCN2C1=O,CI,0
CC1CC(=O)N2CCCNC2=C1C#N,CI,0
CC1CC(C#N)=C2NCCN2C1=O,CI,0
CCOC(=O)CCc1cn2cc(Br)nc(OC)c2n1,CI,0
CC(=O)OCC1CCC(=C2C(=O)OC(C)(C)OC2=O)N1,CI,0
Cn1c(=O)c2c(ncn2CCCCOc2ccc3c(c2)[n+]([O-])n[c-](N)[n+]3=O)n(C)c1=O,CI,0
[N-]=[N+]=NCC1OCOC(CN=[N+]=[N-])C2OCCOCCOc3ccccc3OCCOCCOC12,CI,0
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O.COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O.O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)cc1,CI,0
S=C(NCc1ccccc1)NN=Cc1ccccn1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)NCc1ccccn1,CI,0
C[Sn]1(C)OC(=O)CCN=Cc2c(ccc3ccccc23)O[Sn](C)(C)OC(=O)CCN=Cc2c(ccc3ccccc23)O1,CI,0
COC(=O)C1=CON2C3CC4CC(C3)CC(C4)C12C,CI,0
[N-]=[N+]=Nc1ccccc1C(=O)N1C(=O)c2ccccc2C(=O)N(C(=O)c2ccccc2N=[N+]=[N-])c2ccccc21,CI,0
COc1cc2c(cc1OC)NCc1ccccc1NCc1cc(OC)c(OC)cc1NCc1ccccc1NC2,CI,0
COC(=O)c1ccc2n1C1CC3CC(CC2C3)C1,CI,0
CN(CCc1ccccn1)C1=[S+][Cu-4]2([ClH+])([ClH+])[N+](=Cc3cccc[n+]32)[N-]1,CI,0
CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C,CA,1
O=C(CCc1ccccc1)n1cccc1CO,CI,0
O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)C(=O)n1cccc1CO,CI,0
O=C1CC(CC(=O)c2ccc(Br)cc2)C(O)=C1C(=O)c1ccc(Br)cc1,CI,0
N#Cc1c(N2CCCC2)nsc1NCc1ccccc1,CI,0
CCOC(=O)c1sc(=N)[nH]c1N1CCCC1,CI,0
OC(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1,CI,0
O=C(O)C1CCN1Cc1ccc2ccccc2c1O,CI,0
Oc1c(CN2CCCC2)ccc2ccccc12,CI,0
Oc1c(CN2CCCCC2)ccc2ccccc12,CI,0
Oc1c(CN2CCOCC2)ccc2ccccc12,CI,0
O=[N+]([O-])c1ccc(Cl)cc1-n1nc(-c2ccccc2)cc1-c1ccccc1,CI,0
O=C1C(=C(Br)I)c2ccccc2-c2ccccc21,CI,0
CC(=NNC(=S)NC1CCCC1)c1ccccn1,CI,0
COc1cc(C=CC=C2CCC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0
Cl.O=C1CCCC1CN1CCCCC1,CI,0
Cl.O=C1CCCC1CN1CCOCC1,CI,0
Cl.O=C1CCCC1CN1CCCC1,CI,0
Clc1ccc(C=Cc2nc3ccccc3s2)cc1Cl,CI,0
CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCCNC(=NS(=O)(=O)c1ccc(Cl)cc1)SC,CI,0
CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCCCNC(=NS(=O)(=O)c1ccc(Cl)cc1)SC,CI,0
CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)SC,CI,0
CC(C)(C)C(=O)OC1C=CC(O)C2C3C=CC(C3)C12,CI,0
Nn1c(CCCCCCCCc2nnc(-c3c(O)ccc4ccccc34)n2N)nnc1-c1c(O)ccc2ccccc12,CI,0
Cc1ccc(-c2cc[n+]3c(n2)oc2ccccc23)cc1.[I-],CI,0
O=C(O)C(=O)O.O=c1oc2cccnc2n1CCCCN1CCN(c2ccccc2)CC1,CI,0
O=c1oc2cccnc2n1CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1,CI,0
COc1ccccc1N1CCN(Cn2c(=O)oc3cccnc32)CC1,CI,0
CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc21,CI,0
Cc1ccc(SCC(CSCCO)OCn2cnc3c2NC(=N)NC32OCCO2)cc1,CI,0
COc1cc2c(c3[nH]cc(C(=O)O)c(=O)c13)NC(=O)CS2,CI,0
COc1cc2c(c([N+](=O)[O-])c1)NCCS2,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(OP(=O)(O)OCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CI,0
O=C1c2c(ccc3c2CCCC3)CC12Cc1ccc3c(c1C2=O)CCCC3,CI,0
O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCCC4)CCCC3,CI,0
O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCC4)CCCC3,CI,0
O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCCC3,CI,0
O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCC4)CCC3,CI,0
C=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCC3,CI,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)C(=O)CCC5)C3)CCCC2,CI,0
COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCCC3=O,CI,0
O=C1CCCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3,CI,0
CCOC(=O)NN(C(=O)OCC)c1ccc(N=Nc2ccc(OC)cc2)n1C,CI,0
N#Cc1cc2c(N)ncnc2nc1N1CCCC1,CI,0
CC(=O)OC1C=CC(OC(C)=O)C2C1C1C3C=CC=CC3C2S1=O,CI,0
CCCCCC[n+]1noc(N)c1-c1ccc(-c2c(N)on[n+]2CCCCCC)cc1.[Cl-],CI,0
CCC(NC(=O)OC(C)(C)C)C(=O)NCP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1,CI,0
CSC1=C(c2ccc(C)cc2)N(c2ccccc2)C(=O)C(=O)N(c2ccccc2)C(c2ccc(C)cc2)=C(SC)SS1,CI,0
C=CCN1CC2CON(C(=O)C(OC)(c3ccccc3)C(F)(F)F)C2C1C(C)C,CI,0
Nc1nc(SC2CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1O,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1,CI,0
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1,CI,0
COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCCC3,CI,0
O=C1OC(C2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21,CI,0
O=C1OC(C2Cc3cc4c(cc3C2=O)CCC4)c2ccccc21,CI,0
COC(=O)C1Cc2ccc3c(c2C1=O)CCCC3,CI,0
COC(=O)C1Cc2cc3c(cc2C1=O)CCCC3,CM,1
COC(O)C(=O)c1c2c(cc3c1CCC3)CCCC2,CI,0
O=C1c2c(ccc3c2CCCC3)CC12Cc1ccccc1C2,CI,0
CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCCC4)CCCC2.CC(N)c1ccccc1,CI,0
CCc1cc2c(c3c1CCCC3=O)CC1(C2)Cc2cc(CC)c3c(c2C1)C(=O)CCC3,CI,0
O=C1CCCc2cc3c(cc21)CC1(C3)Cc2ccc3c(c2C1)C(=O)CCC3,CI,0
O=C1CCCc2cc3c(cc21)CC1(C3)Cc2cc3c(cc2C1)C(=O)CCC3,CI,0
c1ccc2c(c1)c1c(n2CCOCCN2CCCCC2)CCCC1,CI,0
c1ccc2c(c1)c1c(n2CCOCCN2CCCC2)CCCC1,CI,0
CC1=Nc2c(C#N)ncn2N=C(C)C1,CI,0
Cc1nc(OCc2ccccc2)c2ncn(CCO)c2n1,CI,0
CC1(C)N=c2c(ncn2Cc2ccccc2)=C(C(N)=O)N1,CI,0
CC1(c2ccccc2)N=c2nc[nH]c2=C(C(N)=O)N1,CI,0
CC1(C)N=c2nc[nH]c2=C(C(N)=O)N1,CI,0
CC1(C)CNCC(C)(OCc2ccccc2)N1,CI,0
CC1(C)CNCC(C)(OCCCOC2(C)CNCC(C)(C)NC2=O)C(=O)N1,CI,0
CC1(OCCCOC2(C)C(=O)N3C2N(C(=O)OCc2ccccc2)CC3(C)C)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C,CI,0
Cc1cc2c3c([nH]c2c2ccnc(C)c12)CCCC3,CI,0
Cc1cc2c3ccccc3[nH]c2c2ccnc(C)c12,CI,0
CN(C)CCOC1(CC2CCCCC2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,CI,0
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2OC1OC(C)C(OC(=O)C(C)CC)C(OC2OC(C)C(O)C(O)C2O)C1OC(=O)C(C)CC,CI,0
CCCCC1(c2sccc2C(O)(C(F)F)C(F)(F)F)NC(C)(C)CO1,CI,0
COc1ccc2c(C)c(Oc3c(Cl)c(Cl)c(O)c(C#N)c3C#N)oc2c1,CI,0
C=C1CC2CC(OS(=O)(=O)c3ccc(C)cc3)C(C1)N2C,CI,0
CN1C2CC(=O)CC1C1OC(c3ccccc3)OC12,CI,0
O=C1CC2CCC(C1)S2=O,CI,0
OC1CC2CCC(C1)S2,CI,0
O=C1CC2CCC(C1)S2,CI,0
Cc1cc(C)c(OC(=O)Nc2cccc3ccccc23)c(-c2ccccc2)c1,CI,0
O=[N+]([O-])c1ccc(NN=C2C=CCCC2)c([N+](=O)[O-])c1,CI,0
CC1(C)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CCC1C2,CI,0
Cc1ccc(S(=O)(=O)NN=C2C3CCC(C3)C2c2ccccc2)cc1,CI,0
CC12CCCC3(CC(=O)C(C)(C)C3C(=O)C1)C2,CI,0
Cc1ccc(S(=O)(=O)NN=C2C3C(CC2(C)C)C2(C)CCCC3(C)C2O)cc1,CI,0
CC12C(=O)CC(CC1=O)C2(C)C,CI,0
[Br-].c1ccc([P+](CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
[I-].c1ccc([P+](CCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
C=C1CCC([N+](=O)[O-])C(C)(N=O)CCC2C1CC2(C)C,CI,0
CC1(C)CC2C(C1=O)C1(C)CCCC2(C)C1=O,CI,0
CC1(C)CC2C(C1=NO)C1(C)CCCC2(C)C1O,CI,0
CC(=O)NN=C1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1(C)C,CI,0
CC12CCCC3(CC(OC(=O)c4ccccc4)C(C)(C)C3C(O)C1)C2,CI,0
CC12CCCC3(CC(O)C(C)(C)C3C(O)C1)C2,CI,0
COc1ccc(CC2(O)C3CC4CCC2C4C3)cc1,CI,0
CC12CCC3C(CC3(C)C)C(O)(CCC1=O)C2,CI,0
CC1(C)CC2C1CCC1(C)CC2(O)CCC1O,CI,0
O=C(O)c1ccccc1C(=O)OC1CC2CCC1C2,CI,0
O=C(Nc1ccccc1)OCCN=c1c2ccccc2ccc2ccccc12,CM,1
OCCN=C1c2ccccc2C2C(c3ccccc31)C1c3ccccc3C(=NCCO)c3ccccc3C21,CI,0
O=C(OCC12COP(=O)(OC1)OC2)C(C(F)(F)F)C(F)(F)F,CI,0
O=C(Nc1ccc(S(=O)(=O)N=c2ncccn2C(=O)C(C(F)(F)F)C(F)(F)F)cc1)C(C(F)(F)F)C(F)(F)F,CI,0
CCOP1(=O)N=C(NC2=NC(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O2)N(C)C1(C)C,CI,0
O=C1N=C(Nc2ccccc2)NC(C(F)(F)F)(C(F)(F)F)N1,CI,0
CC(C)(C)NC1=NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1,CI,0
CCOP(=O)(OCC)C(C)(CC)NC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N1,CI,0
CC1(C)COC(c2cccc(C(=O)c3ccccc3)c2)=N1,CI,0
OCC1OC(c2scc3c(=S)[nH]cnc23)C(O)C1O,CI,0
CCOC(=O)c1[nH]c(-c2[nH]c(-c3[nH]c(-c4[nH]c(C(=O)OCC)c(C)c4C(=O)OCC)c(C(=O)OCC)c3C)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C,CI,0
COC1CCC2(C)C3CCC4C(=CC5C(C)(CO)C(=O)CCC45C)CC3(C)CCC2C1(C)C,CI,0
COC(=O)C(O)C1(C(=O)OC)C2CCCCCCC(O)C1OC2OC,CI,0
OC1COC2CC(Nc3ccccn3)OC12,CI,0
OCC(O)C1OC2CC1Nc1ccccc1N2,CI,0
CC(=O)OCC1OC=CC(OC(C)=O)C1OC1OC(COC(C)=O)C2OC(C)(C)OC2C1OC(C)=O,CI,0
O=C(CN(C(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OC12CC3CC(CC(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1,CI,0
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OC2CCC3CC=CC32)cc1,CI,0
Cl.O=C1NCCCNCCCNCCCNC(=O)c2cccc1n2,CI,0
Oc1ccc(Oc2cc3c4nc(nc5nc(nc6nc(nc7nc(n4)c4cc(Oc8ccc(O)cc8)c(Oc8ccc(O)cc8)cc74)c4cc(Oc7ccc(O)cc7)c(Oc7ccc(O)cc7)cc64)c4cc(Oc6ccc(O)cc6)c(Oc6ccc(O)cc6)cc54)c3cc2Oc2ccc(O)cc2)cc1,CI,0
Cc1cc(=O)oc2c3c(ccc12)OC(c1ccc(Br)cc1)CC3=O,CI,0
C(=NCCCN1CCN(CCCN=Cc2cccc3ccccc23)CC1)c1cccc2ccccc12,CI,0
Cl.c1ccc2c(CN3CCC(C4CCN(Cc5cccc6ccccc56)CC4)CC3)cccc2c1,CI,0
O=C(NC(=Cc1ccc(Cl)cc1)c1nc2ccccc2c(=O)n1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1,CI,0
c1ccc(CC2COC(c3cccs3)=N2)cc1,CI,0
OCC1N=C(c2cccs2)OC1c1ccccc1,CI,0
Oc1c(N2CCOCC2)cc(-c2cc(N3CCOCC3)c(O)c3ccccc23)c2ccccc12,CM,1
Cc1cc2c(nn1)CCc1c-2no[n+]1[O-],CI,0
CC1=NOC2(C1)C(=NO)CCCC2=NO,CI,0
[O-][N+]1=C2CCCC(=NO)C2(O)C2CCCCC21N1CCOCC1,CI,0
CC1(N2CCOCC2)CC2C(=NO)CCCC2=[N+]1[O-],CI,0
CC1=CC(O)(c2ccccc2)C(N2CCOCC2)N1O,CI,0
CN1CC(c2ccccc2)=CC2=C1C=CC(=N)C2=NN,CI,0
COC(=O)CNC(=O)Nc1cc(N2C(=O)ON3C2C(C)(C)N(O)C3(C)C)ccc1C,CI,0
O=c1c(S(=O)(=O)Oc2ccccc2)coc2cc(F)ccc12,CI,0
CC1OC(C(C)(C)C)OC(=O)C1C(OC(=O)c1ccccc1)c1cccc2ccccc12,CI,0
O=C1CC(c2ccc(Cl)cc2)NC(=O)N1CCN1CCCC1,CI,0
O=C1CC(c2ccc(Cl)cc2)NC(=O)N1CCCl,CI,0
O=C1CC(c2ccccc2)NC(=O)N1CCN1CCOCC1,CI,0
O=C1CC(c2ccco2)NC(=O)N1CCCl,CI,0
O=C1CC(c2ccoc2)NC(=O)N1CCCl,CI,0
O=C1CC(c2ccsc2)NC(=O)N1CCCl,CI,0
Cc1csc2nc3c(cnn3C)c(=S)n12,CI,0
S=c1c2cn[nH]c2nc2scc(-c3ccc(Cl)cc3)n12,CI,0
O=c1c2cn[nH]c2nc2scc(-c3ccc(Cl)cc3)n12,CI,0
Cc1csc2nc3[nH]ncc3c(=O)n12,CI,0
O=C(CSc1nc(O)c2cn[nH]c2n1)c1ccc(Cl)cc1,CI,0
CSC1=C(c2ccc(Cl)cc2)SC(N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1,CI,0
C(#Cc1ccccc1)SC1=C(c2ccccc2)SC(=C(SC#Cc2ccccc2)c2ccccc2)S1,CI,0
CSc1cc(Br)ccc1-n1c(C(=O)c2ccccc2)c(SC)n(-c2ccccc2)c1=O,CI,0
CSC(SC)=C(C(=O)c1ccc(Cl)cc1)n1c(=O)sc2cc(Br)ccc21,CI,0
COC(=O)Cc1c2c3n(c(=O)c1-n1[nH]c(=O)n(-c4ccc(Cl)cc4)c1=O)CCN3CCC2,CI,0
CC12CCC3C(CCC4CC(CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC43C)C1CCC2CC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N,CM,1
COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C,CI,0
COC(=O)C1CCC(=O)NCCCCC(NC(=O)OCc2ccccc2)C(=O)N1,CI,0
COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCC1,CI,0
CC(NC(=O)C(Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NN,CI,0
CC(NC(=O)C(Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2,CI,0
CS(=O)(=O)[O-].C[n+]1cccc2ccc3cccnc3c21,CI,0
COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCCC1,CI,0
O=C1NC(=O)C2(CCCCCC2)N1,CI,0
COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1,CI,0
Cl.NC(C(=O)OC(=O)c1ccccc1)C(=O)OC(=O)c1ccccc1,CI,0
CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)NCCC(=O)OCc1ccccc1,CI,0
O=C(O)CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,CI,0
COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(N)CC(=O)O)C(=O)N1,CI,0
CC1(C)NC(=O)C(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCNC(=O)CCNC1=O,CI,0
COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1,CI,0
CC1(C)NC(=O)C(NC(=O)C(N)CC(=O)O)CCCCNC(=O)CCNC1=O,CI,0
CC1N=C(c2ccccc2)OC1=O,CI,0
CC(C)CC1N=C(OCc2ccccc2)OC1=O,CI,0
CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc1ccccc1,CI,0
O=C(NCC(=O)N1CCCC1C(=O)OC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1)OCc1ccccc1,CM,1
O=C(NCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1,CI,0
O=C(NC(Cc1ccccc1)P(=O)(O)c1ccccc1)OCc1ccccc1,CI,0
COP(=O)(OC)C(=CC1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1)NC=O,CI,0
N#Cc1ccc(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1,CI,0
Cl.Nc1ccc(OCC(O)N2C(=O)c3ccccc3C2=O)cc1,CI,0
O=C1c2ccccc2C(=O)N1CC(O)COc1cccc2ccccc12,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O,CI,0
O=C(NC1CCCC1C(=O)Nc1ccc(C(F)(F)F)cc1)OCc1ccccc1,CI,0
CCC(NC(C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.Cl,CI,0
c1ccc(COc2ccc(CC3SCCCS3)cc2)cc1,CI,0
CCC(C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)C(C)c1ccccc1,CI,0
CCOC(=O)C1CCCC1S(=O)(=O)c1ccc(C)cc1,CI,0
CC(C)(C)OC(=O)C1CCCC1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CSCCC(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CC(=O)SCCC(NC(=S)Nc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
CSCCC(NOC(=O)Cc1ccccc1)P(=O)(O)c1ccccc1,CM,1
CSCCC(NC(=O)OCc1ccccc1)P(=O)(O)c1ccccc1,CI,0
COC(=O)C(Cc1c[nH]cn1)N=C(c1ccccc1)c1ccccc1,CI,0
O=C(NCP(=O)(c1ccccc1)c1ccccc1)OCc1ccccc1,CI,0
COC(=O)CCc1c(Cc2ccc[nH]2)[nH]c(C(=O)OCc2ccccc2)c1C,CI,0
COCC(N=CN1CCCc2ccccc2C1CCCCl)C(C)(C)C,CI,0
c1ccc2c3nnc(c2c1)SCCSCCSc1nnc(c2ccccc12)SCCSCCS3,CI,0
c1ccc2c3nnc(c2c1)SCCCSc1nnc(c2ccccc12)SCCCS3,CI,0
c1ccc2c3nnc(c2c1)SCCSCCCSCCS3,CI,0
c1cc2nnc1SCCSCCSCCSc1ccc(nn1)SCCSCCSCCS2,CI,0
c1cc2nnc1SCCSCCSc1ccc(nn1)SCCSCCS2,CI,0
c1cc2nnc1SCCSCCCSCCS2,CI,0
CN(C)CCNc1nc2c(no[n+]2[O-])c2ccccc12.[O-][Cl+3]([O-])([O-])O,CI,0
CCOC(=O)C1=C(c2ccccc2)C12N(Cc1ccccc1)C(=O)C2(c1ccccc1)c1ccccc1,CI,0
O=C(CCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1,CI,0
O=C(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1cccc(OCc2ccccc2)c1,CI,0
O=C(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1,CI,0
O=c1c(F)cn2c(=O)n1CCCCCCCn1c(=O)c(F)cn(c1=O)CCCCCCC2,CI,0
COCn1cc(C2=C(C)C(=O)C(C)=C(C)C2=O)cn1,CI,0
CC(CC1SCCCS1)=C(C)CC1SCCCS1,CI,0
O=[N+]([O-])c1ccc(-n2nc3ccc4c(no[n+]4[O-])c3[n+]2[O-])c([N+](=O)[O-])c1,CI,0
O=[N+]([O-])c1ccc(-n2nc3ccc4c(no[n+]4[O-])c3n2)cc1,CI,0
O=[N+]([O-])c1cc2nn[nH]c2c2nonc12,CI,0
Cc1noc(C)c1-n1nc2ccc3nonc3c2n1,CI,0
ON=C1C=Cc2nn(-c3ccccc3)nc2C1=NO,CI,0
C=C(C)C1CC(=O)C2(C)CC3OC3(C)CCC=C(C)CCC12,CI,0
CCOC(=O)C1=C(O)C(=O)NC(C(=O)OCC)=C(c2ccccc2)C1,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)OCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CI,0
CN(NC(=O)c1cccs1)C1=NCCN1.I,CI,0
CN(NC(=O)c1cccs1)C1=NCCCN1.I,CI,0
CN(NC(=O)c1cccs1)C1=NCCCCN1.I,CI,0
CN(NC(=O)c1ccc(Cl)cc1)C1=NCCCCN1.I,CI,0
I.S=C(NNC1=NCCN1)Nc1ccccc1,CI,0
I.S=C(NNC1=NCCCN1)Nc1ccccc1,CI,0
I.O=C(NNC1=NCCCCN1)Nc1ccc(Cl)cc1,CI,0
I.O=C(NNC1=NCCCN1)Nc1ccccc1,CI,0
CN(N=Cc1ccccn1)C1=NCCCN1.I,CI,0
CN(N=Cc1ccccn1)C1=NCCCCN1.I,CI,0
I.O=C1Nc2ccccc2C1=NNC1=NCCCCN1,CI,0
O=C(CN1CCN(Cc2ccccc2)CC1)N1CCCn2c1nc1ccccc1c2=O,CI,0
O=C(CN1CCN(c2ccccn2)CC1)N1CCCn2c1nc1ccccc1c2=O,CI,0
CN1CCN(CC(=O)N2CCCn3c2nc2ccccc2c3=O)CC1,CI,0
CC(=O)N1C(C(=O)NN2CCOCC2)CSC1c1ccccc1,CI,0
CC(=O)N1C(C(=O)NC2CCCCC2)CSC1c1ccccc1,CI,0
COc1ccc(COC(=O)NNC(=O)C2CSC(c3ccccc3)N2C(C)=O)cc1,CI,0
CC(=O)N1C(C(=O)NNc2ccccc2)CSC1c1ccccc1,CI,0
CC1=CC2(C)CC3=C(C1)[NH+](c1ccc(C)cc1)[Ti]1456(C7=C1[C-]4C5=C76)([NH+]3c1ccc(C)cc1)[NH+](c1ccc(C)cc1)c1c2[nH]c2ccc(C)cc12,CI,0
O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCOCC1,CI,0
O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCC1,CI,0
Cc1cc2ccccc2n1CC(=O)N1CCCC1,CI,0
Cc1ccc(SC(C)C(O)(C(N)=O)c2ccccc2)cc1,CI,0
CC(=O)OCC1OC(OC(C)=O)C(Nc2ncc(-c3ccc(C)cc3)s2)C(OC(C)=O)C1OC(C)=O,CI,0
Br.NC1OC(COC(=O)c2ccccc2)C(O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1,CI,0
Cc1ccc(-c2cnc(NC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)s2)cc1,CI,0
CC(=O)OC1C(COC(=O)c2ccccc2)OC(Nc2ncc(-c3ccc(Br)cc3)s2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1,CI,0
CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cccc2cnccc12)CCC(=O)ON1C(=O)CCC1=O,CI,0
[N-]=[N+]=Nc1c(N2CCOCC2)c(Cl)nc2ccccc12,CI,0
[N-]=[N+]=NC1=C(c2ccccn2)C(=O)c2cccc3cccc1c23,CI,0
CC1CCC(C(C)C)C(OC(=O)C(C(=O)OC2CC(C)CCC2C(C)C)C(O)C2OC(C)(C)OC2C2COC(C)(C)O2)C1,CI,0
CN1C(c2ccccc2)=CC(=O)C(O)=C(c2ccccc2)S1(=O)=O,CI,0
C=C1C(=O)OC2C=C(C)C3=CC(=O)C(C)(CC(OC(=O)C(C)=CC)C12)O3,CM,1
Cn1c(-c2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=S,CI,0
COc1ccc(C(OCC2OC(n3ccc(NC(=O)c4ccccc4)nc3=O)CC2OP2(=S)SCCS2)(c2ccccc2)c2ccc(OC)cc2)cc1,CI,0
COC(C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(O)COC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O,CI,0
CC1Cc2c(cc(N)nc2Br)NC1=O,CI,0
N#Cc1c2c(c(N)oc1=O)C(c1ccccc1)CC(=O)N2,CI,0
COC(=O)C(C#N)=C1NC(=O)CC(c2ccccc2)C1C#N,CI,0
c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4c3CC4)nc2c1,CI,0
O=C1CN(C(=O)C2CCCN2C(=O)C2CCCN2)C(=O)CN1,CI,0
CNC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,CI,0
CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(N)=O,CI,0
CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(N)=O,CI,0
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
CC(C)(C)OC(=O)[N+](=[N-])C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1,CI,0
NC(CCC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCc1ccccc1)C(=O)O,CM,1
COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)OCc1ccccc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O,CI,0
Cl.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(COCc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CI,0
CC(C)CC(NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(COCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O,CI,0
Cl.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O,CI,0
CC(C)CC(NC(=O)C(N)CCC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O.Cl,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O,CI,0
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O,CI,0
Cl.NCCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O,CM,1
CC(C)CC(NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(COCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CI,0
Cc1cn(C2CC(Br)=NO2)c(=O)[nH]c1=O,CI,0
CC[N+]1(C2=C([O-])C(F)(F)C2=O)CCCCC1,CI,0
C[N+]1(C2=C([O-])C(F)(F)C2=O)CCOCC1,CI,0
O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1,CI,0
Cc1[nH]c2ccccc2c1C1=CC(=O)N(c2ccccc2)C1=O,CI,0
CC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(C4CCCCC4)C(=O)C3C2C1,CI,0
COC(=O)C(C)(N=Cc1ccccc1)c1ccccc1,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21,CI,0
O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)O,CI,0
CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)ON=C1CCCC1,CI,0
CC(C)(C)OC(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1,CI,0
CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1C(=O)OCc1ccccc1,CI,0
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC,CI,0
O=C(O)C1C=CCN1C(=O)C1C=CCN1C(=O)C1C=CCN1,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)n3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)n1.[KH],CA,1
Cn1nc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)n4)n(C)n3)nn2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH],CA,1
Cn1cc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)c4)n(C)n3)nn2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH],CA,1
Cl.Cn1cc(NC(=O)c2cc(=N)[nH]n2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH],CI,0
Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)n1.[KH],CA,1
Cl.Cn1nc(NC(=O)c2cc(=N)[nH]n2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH],CI,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3cccc[n+]3[O-])c12,CI,0
CC1=CC(=NN(C2=[S+][Cu-3]3([S+]=C(N(N=C4C=C(C)OC(=O)C4=CO)c4ccccc4)[SH+]3)[SH+]2)c2ccccc2)C(=CO)C(=O)O1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)N1CCCCCC1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)N1CCCCC1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)N1CCCC1,CI,0
CC(=O)N1N(c2ccc([N+](=O)[O-])cc2)C(=O)C1(C)C,CI,0
CCOC(=O)Nc1ccc2c(c1)c(CCCCCCc1nc3ccccc3c3ccc(NC(=O)OCC)cc13)nc1ccccc12,CI,0
c1ccc2c(c1)ncn2CCn1ccnc1,CI,0
O=[N+]([O-])c1sc2ccc(Cl)cc2c1Nc1ccc(Cl)cc1,CI,0
CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1B(c1ccccc1)c1ccccc1,CI,0
CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1Br,CI,0
Cc1ccc(S(=O)(=O)n2cnc(CC(NC(=O)C3CCC(=O)N3C(=O)OCc3ccccc3)C(=O)N3CCCC3C(=O)NN)c2)cc1,CI,0
COC(=O)C1CCCN1C(=O)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0
O=C(CNC(=O)OCc1ccccc1)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O,CI,0
NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O,CI,0
O=C(CNC(=O)OCc1ccccc1)NCCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0
CC(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1,CI,0
O=C(C=Cc1ccccc1)c1cc(C(=O)C=Cc2ccccc2)c(O)cc1O,CI,0
O=c1cc(-c2ccccc2)oc2c(-c3cc(Cl)cc4c(=O)cc(-c5ccccc5)oc34)cc(Cl)cc12,CI,0
O=c1cc(-c2ccccc2)oc2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc12,CI,0
O=c1c(-c2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)c(-c2ccccc2)oc2ccc(Cl)cc12,CI,0
c1ccc(N=C2c3ccsc3C(=Nc3ccccc3)c3ccsc32)cc1,CI,0
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCOCC1,CI,0
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCCC1,CI,0
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCC1,CI,0
O=C(Cn1c2c(c3ccccc31)CCCC2)NC1CCCCC1,CI,0
CC(C)=CCN1CCCn2c(=S)[nH]c3cccc(c32)C1=O,CI,0
COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(CN2CCOCC2)c1O.Cl,CI,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC1,CI,0
CSC(=O)c1sc(SC)[n+](-c2ccccc2)c1O,CI,0
COc1ccc(Cc2c(-c3ccc(C)cc3)nnc(O)c2C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1,CI,0
O=C1NN=C(c2ccc(Cl)cc2)CC1C1C(=O)N(c2ccccc2)N=C1c1ccccc1,CI,0
CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N,CI,0
O=C1NC2(CCCCC2)N=C2C(Cl)CCCC12Cl,CI,0
CC(=O)c1sc(=N)n(-c2c(C)cccc2C)c1C,CI,0
COC(=O)C=C(C=C1C(C#N)=C(N)N(c2ccc(Cl)cc2)C1(C)C(=CC(=O)OC)C(=O)OC)C(=O)OC,CI,0
CC(=NNC(=S)N1CCCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCCC2)n1,CI,0
CC(=NNC(=S)N1CCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCC2)n1,CI,0
CC(=NNC(=S)N1CCCC1)c1cccc(C(C)=NNC(=S)N2CCCC2)n1,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCCC1,CI,0
S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCC1,CI,0
CC(=NNC(=S)N1CCCCCC1)c1ccccc1O,CI,0
Nc1ncnc2c1[nH]c(=O)n2-c1ccccc1,CI,0
C=C1CC(COc2cc(=O)oc3ccccc23)(c2ccccc2)OC1=O,CI,0
C=C1CC(C)(COc2cc(=O)oc3ccccc23)OC1=O,CI,0
C=C1CC(CN2CCC(=O)NC2=O)(c2ccccc2)OC1=O,CI,0
CC(C)=CCN1CCCn2c(=S)[nH]c3cccc(c32)C1,CI,0
C=CCC1(CC(=O)O)CC=CCC12OCCO2,CI,0
C=CC1C2CCC3=CC(=O)CCC3C2CCC1(C)C(=O)O,CI,0
C=CCC12CC(C=CC13OCCO3)OC(O)C2C,CI,0
CCOC(=O)c1cc2c(nc1N)C(=O)CCC2,CI,0
CCOC(=O)c1cc2c(nc1N)C(=O)CCCC2,CI,0
c1cnc2c(c1)CCc1cc3cccnc3nc1-2,CI,0
CCOC(=O)c1cc2c(nc1NCc1ccc(OC)c(OC)c1)C(=Cc1ccccc1)CCCC2,CI,0
CCOC(=O)c1cc2c(nc1N)C(=Cc1ccccc1)CCCC2,CI,0
CCOC(=O)c1cc2c(nc1NCc1ccccc1)C(=O)CCCC2,CI,0
O=C(C=CNC(=O)OCc1ccccc1)OCc1ccccc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)NC(=O)NC(=O)OCc1ccccc1,CI,0
CC(C)(C)OC(=O)NC(Cc1ccccc1)OCc1ccccc1,CI,0
CC(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1,CI,0
O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2C1=O)OCc1ccccc1,CI,0
O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2OC1=O)OCc1ccccc1,CI,0
CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NCC(=O)ON1C(=O)CCC1=O,CI,0
O=C(NC1CCC(=O)N1C(=O)OCc1ccccc1)OCc1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)C(=O)NC(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=C1c2ccccc2C(=O)N1CC(CN1C(=O)c2ccccc2C1=O)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
O=C(NCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1,CI,0
COC(=O)C(Cc1ccccc1)NC(=O)C(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0
Oc1ccc(Cl)cc1CN1CCN(Cc2cc(Cl)ccc2O)C1,CI,0
COc1cccc(C(NC2=NCCC=N2)c2cc3c(cc2O)OCO3)c1O,CI,0
CC1=[N+]2[N-]C(N(C)C)=[S+][Cu-3]23[O+](c2ccccc21)[Cu-3]12[S+]=C(N(C)C)[N-][N+]1=C(C)c1ccccc1[O+]32,CI,0
CC(=NNC(=S)NCCCCNC(=S)NN=C(C)c1ccccn1)c1ccccc1,CI,0
CC(=NNC(=S)NCCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0
CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)N1C,CI,0
c1ccc([B-]2(c3ccccc3)NCCC[OH+]2)cc1,CI,0
CC(NC1=CC(=O)C(NC(C)C(O)c2ccccc2)=CC1=O)C(O)c1ccccc1,CI,0
CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)[N+]1(C)C,CI,0
c1ccc([B-]2(c3ccccc3)[OH+]CCc3cccc[n+]32)cc1,CI,0
O=C1[OH+][B-](c2ccccc2)(c2ccccc2)N2CCCC12,CI,0
CC(=O)OCC1CC(n2cc(C)c(=O)[nH]c2=O)=NO1,CI,0
Cc1cn(C2CC([N+](=O)[CH-]c3ccccc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0
COC1C(C(=NO)n2cnc3c(Cl)ncnc32)OC2OC(C)(C)OC21,CI,0
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O,CI,0
[N-]=[N+]=C1CNC(=O)NC1=O,CI,0
OC1NC2CC3NC(O)C(O)NC3CC2NC1O,CI,0
CC1(O)CC(=O)c2c(cc3ccc(-c4c5c(c(O)c6c(O)cccc46)C(=O)CC(C)(O)C5)c(O)c3c2O)C1,CI,0
Cc1ccc(S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Cl.NC1CCC(C(=O)C2CCC(O)CC2O)CC1,CI,0
CCN1c2nc3ccccc3nc2N(CC)c2nc3ccccc3nc21,CI,0
O=c1c2ccccc2c2cc3ccc4c(=O)c5ccccc5c5cc6ccc1c2c6c3c45,CI,0
Cc1ccc(S(=O)(=O)Oc2nc3ccccc3nc2N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Cc1ccc(S(=O)(=O)Oc2nc3ccccc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
NC1CC2NC3CCCCC3NC2CC1N,CI,0
CC(=O)OCC1OC(n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1ccc(C(=O)C2C=C(c3ccc(C)cc3)SC3C=CCC32)cc1,CI,0
O=[N+]([O-])c1cccc2c(O)nc3nccnc3c12,CI,0
CN(C)c1cc[n+](-c2nc([N-]C(=O)C(F)(F)F)nc3c2ncn3C2CC(O)C(CO)O2)cc1,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN=C4SCC(=O)N4C)ncnc32)cc1,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NNC(=S)NCc4ccccc4)ncnc32)cc1,CI,0
Cc1ccc(-n2cnc3c(NN=C4SCC(=O)N4c4ccccc4)ncnc32)cc1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCP(=O)(c5ccccc5)c5ccccc5)CCC4(C)C3CCC12C,CI,0
COC1=CC2=CCC3C(CCC4(C)C(C(C)=O)CCC34)C2(C)CC1,CI,0
CC(C)CCCC(C)C1CCC2C3CC(=CC#N)C4CCCCC4(C)C3CCC12C,CI,0
CC12CCC3C(CCC4CC(=CC#N)CCC43C)C1CCC2=CC#N,CI,0
CC1CCC(O)C=CC(=O)OC(C)C(O)C=CC(=O)O1,CI,0
O=C(C=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1,CI,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCCCC3)c12,CI,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCCCC3)c12,CI,0
CC1Cc2c(-c3ccc(O)c4ccccc34)c(O)cc(O)c2C(C)N1,CI,0
Nc1ccc(C=Cc2ccc(NCc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
CC(=O)OCC1OC(n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1NC(=O)C2CCCN2C(=O)C(C(C)C)OC1=O,CI,0
O=C1NN(Cc2ccccc2)C(=O)N2CCCC12,CI,0
CC1OC2(O)C3CCCN3C(=O)N(Cc3ccccc3)N2C1=O,CI,0
O=C(Cc1ccccc1)NC1COC(=O)C2CCCN2C(=O)C2CCCN2C1=O,CI,0
O=C1c2ccccc2NC(=O)C2C1C(c1ccccc1)CC2(O)c1ccccc1,CI,0
O=C1CC(=Cc2ccccc2)C(=O)c2ccccc2N1,CI,0
O=C1CSC(=O)C1=CNNc1nc2ccccc2o1,CI,0
CCOC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1,CI,0
CC(C)CNC(=O)c1c(NC(=O)c2ccccc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12,CI,0
O=C1CCCSC(=O)N1Cc1ccccc1,CI,0
CN(C)N1C(=O)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O,CI,0
CC1=C(C#N)C2C(=C(C)N1)C(=N)Nc1ccccc12,CI,0
CC1(C)CCOC(=O)C(Cl)CC1Cl,CI,0
COC(=O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(OC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(=O)OC,CI,0
Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OCC4COC(C)(C)O4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1,CI,0
CN(C)c1ccc(NC2=NC(=Nc3ccccc3)C(=Nc3ccccc3)S2)cc1,CI,0
CCOC(=O)c1ccc(N=C2Sc3nc4ccccc4n3C2=Nc2ccc(C(=O)OCC)cc2)cc1,CI,0
O=C1NC(=O)C2C(OCC3OC2C(O)C3O)C1OCC1CCCCC1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCCc1ccccc1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCC1CCCCC1,CI,0
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCC=CCc1ccccc1,CI,0
CC1=CC(=O)C(=C(C)C)CC1,CI,0
O=C1CC(c2ccccc2)S(=O)(=O)c2ccccc2N1,CI,0
S=C1CCSc2c(ccc3ccccc23)N1,CI,0
S=C1Nc2cnc3ccccc3c2SC1c1ccccc1,CI,0
S=C1CSc2c(cnc3ccccc23)N1,CI,0
S=C1CSc2c(ccc3ccccc23)N1,CI,0
S=C1C=C(c2ccccc2)Sc2ccccc2N1,CI,0
O=S1(=O)c2ccccc2NC(=S)CC1c1ccccc1,CI,0
O=C1CC(c2ccccc2)S(=O)c2ccccc2N1,CI,0
[O+]#C[Mo+]1234(C#[O+])(C#[O+])([Mo+]5678(C#[O+])(C#[O+])(C#[O+])C9=C5[C-]6C7=C98)C5=C1[C-]2C3=C54,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4ccco4)NC32)cc1,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4cccs4)NC32)cc1,CI,0
CC1=NN2C=Nc3c(c(-c4ccc(Cl)cc4)cn3-c3ccc(C)cc3)C2N1,CI,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(=N)n(N)cnc32)cc1,CI,0
COc1ccc2c(c1)OCC1c3cc(O)c4c(OCc5ccccc5)cccc4c3OC21,CI,0
COc1ccc2c(c1)OCC1c3cc(O)c4c(OC)cccc4c3OC21,CI,0
O=C(Nc1nc2c(O)ncnc2s1)c1ccccc1,CI,0
CCCCn1c(=O)[nH]c2c(N)ncnc21,CI,0
CC1OC(c2c(O)ccc3ccccc23)CC(N(C)C)C1O,CI,0
O=C(OC1C#CCSCC#CC=C1)c1cnc2ccccc2n1,CI,0
OC1C#CCSCC#CC=C1,CI,0
CSC1=C(SC)C(=O)c2cn(C)c(=O)cc2C1=O,CI,0
CC12C(=O)OC(=O)C1(C)C1C=CC2O1,CI,0
c1ccc2nc3nc4ccccc4nc3nc2c1,CI,0
Cc1ccc2c(c1-c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O,CI,0
Cc1ccc(S(=O)(=O)O)cc1.c1ccc2[nH]c3[nH]c4[nH]c5ccccc5[nH]c4[nH]c3[nH]c2c1,CI,0
Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
O=C1OCc2c(O)nc(O)nc21,CI,0
O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12.[NaH],CI,0
OC1NC2Nc3ccccc3NC2NC1O,CI,0
c1ccc(N2CCN(c3ccccc3)C2)cc1,CI,0
CCSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCC3,CI,0
N#Cc1c(NC(=S)NC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCC2,CI,0
CC1(C)[SH+][Cu-2](O)NC1C(=O)[O-],CI,0
O=C(NN=C1CCCCC1)NN=C1CCCCC1,CI,0
Cl.O=C1C(CN2CCCC2)CCC1CN1CCCC1,CI,0
NC(=S)NN=C1c2ccccc2CCC1CCC1(O)CCc2ccccc2C1=O,CI,0
COC(=O)c1coc(CCC(C)=Cc2ccccc2)n1,CI,0
COC(=O)C1COC(CCC(C)=Cc2ccccc2)=N1,CI,0
COC1=CC(c2ccc(Br)[nH]2)=NC1=CNCC(C)C,CI,0
CCCCCCC1CC(=O)C2CCCCC23CC(Cl)CN13.CCCCCCC1CC(=O)C2CCCCC23CCC(CCl)N13,CI,0
O=C(NC=C1C(=O)Oc2ccccc2C1=O)Oc1ccccc1,CI,0
Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c2ccccc21,CI,0
COc1cc2c(cc1OC)C1C3CCCCC3CCN1CC2.Cl,CI,0
COc1cc2c(cc1OC)C1CCc3ccccc3CN1CC2,CI,0
COc1cc2c(cc1OC)C1c3ccccc3CCN1CC2,CI,0
O=C1Nc2ccccc2Cn2c1cc1oc(-c3ccccc3)cc12,CI,0
NC(=O)NN=C1c2ccccc2-n2nccc21,CI,0
OCC1CC2Cc3ccccc3N2N1,CI,0
C=CC1(C)CC(=O)C(C(C)C=O)C12C(=O)Oc1cccc(C)c1C2=O,CI,0
CC(=O)OCC1=C2C(OC(=O)C(C)C)CC3(COC(C)=O)OC3C=CC3(C)OC3C2OC1=O,CI,0
Cc1cccc2oc3c(c(=O)c12)CC(O)C(C)(C)O3,CI,0
CC1CCC2(C)C3(C)CCC2(OC3=O)C12CC(c1ccoc1)OC2=O,CI,0
C=CC1(C)CC2CCC3(C)C(C)=CC(=O)CC3C2(C)CC1O,CI,0
C=CC1C(CO)=CCC2C1CCC1C(C)(C)C(=O)CCC21C,CI,0
CC(=O)NN=C(C=Cc1ccccc1)c1ccccc1OC(C)=O,CI,0
c1ccc(NN=C2CC(c3ccccc3)Oc3ccccc32)cc1,CI,0
CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12,CI,0
CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCOCC3)c12,CI,0
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)cc1Cl,CM,1
Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C(=O)Nc4ccc(Cl)cc4)c(Cl)cc3S)n2)cc1,CI,0
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc4ccccc4c3)n[nH]2)c(S)cc1Cl,CI,0
ON=C1CC2(N3CCOCC3)CCC1(Cc1ccccc1)CC2,CI,0
ON=C1CCC2CC3(Cc4ccccc4)CC1C2(N1CCOCC1)CC3=NO,CI,0
CC1C2CC3(c4ccccc4)CC(C2=NO)C(=NO)C1C3=CO,CI,0
ON=C1C2CC3C(=NO)C1CC(c1ccccc1)(C2)C3=NO,CI,0
N#CCCC1(CCC#N)CCCCCCC(CCC#N)(CCC#N)C(O)C1O,CI,0
CC1(C)CS(=O)(=O)CC(C)(C)C(=NN)C1=NN,CI,0
CC1(C)CSCC(C)(C)C(=NN)C1=NN,CI,0
CC1(C)CS(=O)(=O)CC(C)(C)C(=O)C1=O,CI,0
C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2,CI,0
C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2,CI,0
C#CC1(O)CCCCCCCCC2(CCCCCCCC1)OCCO2,CI,0
OC1(c2ccccc2)CCCCCCCCC(O)(c2ccccc2)CCCCCCCC1,CI,0
COC1(OC)CCCCCCCCC(OC)(OC)CCCCCCCC1,CI,0
OC(C#CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
O=C(C#CP(=O)(O)c1ccccc1)c1ccccc1,CI,0
C1CCC(NC2CCCCC2)CC1.CC1(C)OP(=O)(O)CC1=O,CI,0
CC(O)(C=Cc1ccccc1)P(=O)(O)c1ccccc1,CI,0
CC1(C)OP(=O)(c2ccccc2)C=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CM,1
O=P1(O)C=CC2(CCCC2)O1,CI,0
CC1=CC(c2ccccc2)OP1(=O)c1ccccc1,CI,0
CCOC(=O)c1ccc(NCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1,CI,0
COc1ccc2cc(C(=O)Nc3ccc(O)c(C(=O)O)c3)ccc2c1OC,CI,0
COc1ccc2cc(C(=O)NCCc3ccccc3)ccc2c1OC,CI,0
O=C(C=Cc1ccc(O)c(O)c1)OCc1ccccc1,CM,1
CC[n+]1cnc(N)c2c(-c3ccc(Cl)cc3)cn(-c3ccc(C)cc3)c21.[I-],CI,0
Cc1cc(C)n(C(C)(C(=O)Cc2ccccc2)n2nc(C)cc2C)n1,CI,0
CC(C)CCCC(C)C1CCC2C3CC(CCC=C(c4cc(Cl)c(O)c(C(=O)O)c4)c4cc(Cl)c(O)c(C(=O)O)c4)C4CCCCC4(C)C3CCC12C.N,CM,1
O=c1[nH]c(=S)c2cncnc2n1C1OC(CO)C(O)C1O,CI,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2nccnc12,CI,0
O=C1C2CCC3C(=O)C(Cl)(Cl)C3CCC2C1(Cl)Cl,CI,0
CC1CCC(O)C(C)C12CC=CC2=O,CI,0
C#CC1(O)CCCC2=CC3(CCC21C)SCCS3,CI,0
O=C1CC23CCC4(CC2=CCCC3O1)OCCO4,CI,0
O=C1C=C2CCCC3OC(=O)CC23CC1,CI,0
O=C1CC23CCC4(CC2CCCC3O1)OCCO4,CI,0
O=C1CCC23CC(=O)OC2CCCC3C1,CI,0
CC1(C)OC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)O1,CI,0
CC1(C)CC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)C1,CI,0
CC1(C)C(=O)C(C)(C)C(=O)C(C)(C)C1=O,CI,0
CC12CCCC(=O)C1(C)CCC2=O,CI,0
CC(C1CCCC1=O)C1CCCC1=O,CI,0
O=C1CCC2=C(CCC2)N1CCc1ccc2c(c1)OCO2,CI,0
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2(=O)=O,CI,0
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2,CI,0
O=P1(O)c2ccccc2-c2ccccc21,CI,0
O=P1(c2ccccc2)c2ccccc2-c2ccccc21,CI,0
c1ccc(P2c3ccccc3Oc3ccccc32)cc1,CI,0
O=P1(Cc2ccccc2)c2ccccc2-c2ccccc21,CI,0
[Cl-].c1ccc(C[P+]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1,CI,0
O=P1(c2ccccc2)C(c2ccccc2)CCC1c1ccccc1,CI,0
O=P1(c2ccccc2)c2ccccc2CCc2ccccc21,CI,0
O=P1(O)c2ccccc2CCc2ccccc21,CI,0
c1ccc2c(c1)N=c1ccccc1=P21c2ccccc2Nc2ccccc21,CI,0
[Cl-].c1ccc2c(c1)Nc1ccccc1[P+]21c2ccccc2Nc2ccccc21,CI,0
c1ccc(P2c3ccccc3Nc3ccccc32)cc1,CI,0
O=C1CCCc2cc3c(cc21)CCC3C(=O)O,CI,0
O=P(O)(Cc1ccccc1)c1ccccc1-c1ccccc1,CI,0
O=C1c2ccccc2CC12CCC1(CC2)OCCO1,CI,0
CC(=O)NC1c2ccccc2C(C)(C)C12CCC1(CC2)OCCO1,CI,0
O=C1C(=Nc2ccc(Nc3ccccc3)cc2)Oc2ccccc21,CI,0
O=C1C(=Nc2ccccc2)Oc2cc(O)ccc21,CI,0
CC(C)(C)C1=CC(=C(c2ccc(-c3c4ccc(n4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc([nH]4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc(n4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc3[nH]4)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O,CI,0
CC1C2CC3(CC(=O)O2)C(C)CC(O)C3(O)C1(C)CO,CI,0
O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2c(O)ccc3ccccc23)c1,CI,0
Cc1ccc(S(=O)(=O)NN=C2C3CC4CC(C3)C2C4)cc1,CI,0
NC(=O)NN=C1C2CC3CC(C2)C1C3,CI,0
Cc1ccc(S(=O)(=O)NCNS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
OC(C1CCCCCCCCCC1)C(O)C1CCCCCCCCCC1,CI,0
COC1(OC)C=CC2C1C1C=CC2C1(OC)OC,CI,0
CC(=O)OC1C2CCC3CC2C2(SCCS2)C31,CI,0
C=C1C2CC3CCC2C(OC(=O)c2ccccc2C(=O)O)C13,CI,0
COC(=O)C1C2CC3C1C3C2C(=O)OC,CI,0
O=C1CC2C3CC1C2C(=O)O3,CI,0
COC(=O)C1=C(C(=O)OC)C2C3CC4C(C13)C42,CI,0
O=[N+]([O-])c1ccc(OC2CC3C4C=CC3C2C4)c([N+](=O)[O-])c1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CC3C4C=CC3C2C4)cc1,CI,0
OC1C2CCC3C2CC(C(O)(c2ccccc2)c2ccccc2)C13,CI,0
Cc1ccc(S(=O)(=O)NN=C2CC3C4CCC3C2C4)cc1,CI,0
CC1(C)CC(C)(C)C1=NNC(N)=O,CI,0
c1ccc(SC2(Sc3ccccc3)CCCCCCCCCCC2)cc1,CI,0
CCOC(=O)C1CC2=C(CCCCCCCCCC2)SCCCS1,CI,0
C=C1CCCCCCCCCCC12SCCC2CCCCSC,CI,0
C=C1CCCCCCCCCC=C1SCCCSC,CI,0
CSCCCSC1=CCCCCCCCCCC1,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCC3(O)CC2(C)CCC2C3CC2(C)C)cc1,CM,1
COc1ccc2c(c1)CCC1C2CCC2(C)OC(=O)CCC12,CI,0
Cc1ccc(S(=O)(=O)NN=C2CCCOC2)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=CC2c3ccccc3-c3ccccc32)cc1,CI,0
Cc1ccc(S(=O)(=O)NN=CC2(c3ccccc3)c3ccccc3-c3ccccc32)cc1,CI,0
Cc1ccc(S(=O)(=O)OC2C3C=CC2C2CSCC32)cc1,CI,0
C=C1CCCCCCCCCCC1S(=O)c1ccccc1,CI,0
c1ccc([Se]C2CCCCCCCCCCC23SCCCS3)cc1,CI,0
OC1c2ccccc2C(O)C2OC12,CI,0
O=C1c2ccccc2C(=O)C2OC12,CI,0
O=C1OCC2(CO1)CC1C=CC2C1,CI,0
CC1CC(OP(=O)(OCc2ccccc2)OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1,CI,0
O=C(C=Cc1ccccc1)CC(O)CC1CC=CC(=O)O1,CI,0
CC(=O)NNC1=NN(C(C)=O)C2(S1)C(=O)Nc1ccccc12,CI,0
Nc1ccc(C=Cc2ccc(NS(=O)(=O)c3ccnc4c(O)c(C(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1
Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1,CI,0
c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1,CI,0
c1ccc2[nH]c(CSc3nc4ccccc4s3)nc2c1,CI,0
c1ccc2[nH]c(CSc3nc4ccccc4[nH]3)nc2c1,CI,0
COc1c2cc(C(C)(C)C)cc1CSCc1cc(C(C)(C)C)cc(c1OC)CCCCC2,CI,0
COc1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c(OCc2ccccc2)c1,CI,0
O=c1c2ccccc2n2c(=S)[nH]nc2n1-c1ccccc1,CI,0
Cc1cc(C)n(-c2nc3ccccc3c(=O)n2-c2ccccc2)n1,CI,0
CCOC(=O)Cc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12,CI,0
COc1ccc(-c2c(C#N)c(S)nc3c2CCC3)cc1,CM,1
CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccco1,CI,0
N#Cc1c(S)nc2c(c1-c1cccc3ccccc13)CCCC2,CM,1
O=C1NN(c2ccccc2)C(=O)C2C3c4ccccc4C(c4ccccc43)C12,CI,0
c1ccc(-c2c(-c3cccs3)[nH]c(-c3cccs3)c2-c2ccccn2)nc1,CM,1
COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(-c3ccccn3)c2-c2ccccn2)cc1,CI,0
OC1CSc2nc3ccccc3n2C1,CI,0
O=C1c2ccccc2C(=O)c2c1sc1nc3ccccc3n21,CI,0
c1ccc2nc3c(nc2c1)sc1nc2ccccc2n13,CI,0
Cn1c(=O)c2c(nc3sc4nc5ccccc5nc4n32)n(C)c1=O,CI,0
Cn1c(=O)c2c(nc3sc4c(n32)C(=O)c2c(O)ccc(O)c2C4=O)n(C)c1=O,CI,0
Cc1nc2ccc(Cl)cc2c(-n2ccnc2)c1CCn1ccnc1,CI,0
N=C(N)n1nc2c(c1O)CCC2,CI,0
Oc1nc(Nc2nc3ccccc3[nH]2)nc2c1CCC2,CI,0
COc1cc(OC)c2nc(C)c3c(c2c1)NCC3,CI,0
COc1ccc(CCN2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1OC,CI,0
CC1=C(C#N)c2nc3ccccc3n2C(=O)C1(C)CCO,CI,0
S=c1sc2c(s1)SCCCCSCCCCSc1sc(=S)sc1SCCCCSCCCCS2,CI,0
S=c1sc2c(s1)SCc1cccc(n1)CSc1sc(=S)sc1SCc1cccc(n1)CS2,CI,0
COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(C(O)CNC(C)=O)cc1Br)=NO2,CI,0
COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCCCNC(=N)N)=NO2,CI,0
Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1ccc2cc(-c3ccccc3)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(-c4ccccc4)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
Cc1ccc2ccc3c(-c4ccccc4)cc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3ccc4c(-c5ccccc5)cc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0
CCN(CC)C1CCC(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)CC1,CI,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2c2ccccc2)OCO4)c1O,CI,0
CC1C(c2ccc3c(c2)OCO3)c2cc3c(cc2OC1N1CCCC1)OCO3,CI,0
CC1C(c2ccc3c(c2)OCO3)c2cc3c(cc2OC1N1CCOCC1)OCO3,CI,0
CC1C(c2ccc3c(c2)OCO3)c2cc3c(cc2OC1N1CCCCC1)OCO3,CI,0
O=C1Nc2n[nH]c(=S)n2NC12c1ccccc1-c1ccccc12,CI,0
O=C1C(C=Cc2ccc(Cl)cc2)=NNC2N1N=C1NC(=O)C3(NN12)c1ccccc1-c1ccccc13,CI,0
C=CCN1C(=O)CC(=O)N(NC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C1=S,CI,0
O=C1NNC2NC(=O)C3(NN2C1=O)c1ccccc1-c1ccccc13,CI,0
[N-]=[N+]=NC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0
O=C1N=C2NN=C(c3ccc(Br)cc3)CN2NC12c1ccccc1-c1ccccc12,CI,0
CC1=NC(=O)CNN1C1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0
CC1ON2CCCC2C1C(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C,CI,0
CCOC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCCO2,CI,0
O=C(O)C(=O)O.O=C(OCCN1CCOCC1)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2,CI,0
O=C(c1cccs1)N1CCc2ccccc2C1,CI,0
CC(c1ccccc1)N1CC(=O)N(C(C)c2ccccc2)C1=O,CI,0
CC1(C)CC(=O)C2=C(C1)NC(=S)C(C#N)C2c1ccccc1,CI,0
CC(=O)c1c(C)nc(SSc2nc(C)c(C(C)=O)c(-c3ccc(Cl)cc3)c2C#N)c(C#N)c1-c1ccc(Cl)cc1,CI,0
C1COCCN1.CN(C)c1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1,CI,0
NC1=C(c2nc(-c3cc4ccccc4oc3=O)cs2)C(c2ccco2)c2c(c3ccccc3oc2=O)O1,CI,0
NC1=C(c2nc(-c3ccccc3)cs2)C(c2ccco2)c2c(c3ccccc3oc2=O)O1,CI,0
NC1=C(c2nc(-c3ccccc3)cs2)C(c2ccc(Br)cc2)c2c(c3ccccc3oc2=O)O1,CI,0
NC(=S)C1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(Br)cc1,CI,0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(c1nc(-c3ccccc3)cs1)C2c1ccc(Br)cc1,CI,0
N#Cc1c(N)nc([Se]CC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1,CI,0
O=c1oc2ncccc2n1Cc1ccc([N+](=O)[O-])cc1,CI,0
Nc1ncc(CN2CCOCC2)c(-c2ccccc2O)n1,CI,0
COc1ccc(OC2OC(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(O)C(O)C2O)cc1,CI,0
COc1ccc(OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1,CI,0
O=c1c2ccccc2c2c1c1c3ccccc3c(=O)c1c1c3ccccc3c(=O)c21,CI,0
Cc1cn(C2CCN(CC3COC(C)(C)O3)O2)c(=O)[nH]c1=O,CI,0
O=C1CCSc2c(cnc3ccccc23)N1,CI,0
CCOC(=O)Oc1cc2ccsc2c2c1c1ccccc1n2C(=O)OCC,CI,0
CCOC(=O)Oc1cc2c(ccn2C)c2c1c1ccccc1n2C(=O)OCC,CM,1
CCOC(=O)OC(=Cc1ccc(OC)cc1)c1c(OC(=O)OCC)n(C(=O)OCC)c2ccccc12,CI,0
CCOC(=O)C1=CN(Cc2ccccc2)C2ON=C(c3ccc(Cl)cc3)C2C1,CI,0
Cc1ccc2nc(O)c(-c3cnc(O)nn3)c(O)c2c1,CA,1
C=C(C)C(=O)OC1CC(CO)=CCCC(=C)C(OC(C)=O)C2OC(=O)C(=C)C12,CI,0
C=C(C)C(=O)OC1CC2(CO)OC2CCC(COC(C)=O)=CC2OC(=O)C(=C)C21,CI,0
C=CC1(C)CC2(C=C(CO)C(O)O2)Oc2c1c(=O)oc1cccc(C)c21,CI,0
CC1CC(CC2(C)c3c(c4ccccc4oc3=O)OC2C)OC1=O,CI,0
Cc1cccc2c1C13OC(C)C4(C)CC5OC(=O)C1(C)C5C43C(=O)O2,CI,0
CC1=CC(CC2(C)c3c(c4c(C)cccc4oc3=O)OC2C)OC1=O,CI,0
CC1CC(=O)C2(C)C3(C)OC3CCC2(O)C12CC(c1ccoc1)OC2=O,CI,0
c1cc2nnc1SCCCSc1ccc(nn1)SCCCS2,CI,0
c1cc2nnc1SCCCSc1ccc(nn1)SCCCSc1ccc(nn1)SCCCS2,CI,0
N#Cc1cc2c(cc1C#N)C(Nc1cccc(N)n1)=NC2=Nc1cccc(N)n1,CI,0
Cc1cc2c(O)c(c1)CN(Cc1ccccc1)Cc1cc(C)cc(c1O)CN(Cc1ccccc1)Cc1cc(C)cc(c1O)CN(Cc1ccccc1)C2,CI,0
CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3C(O)C(C)O,CI,0
[BrH+][Co-4]12([BrH+])([S+]=C(Nc3ccccc3)Nc3cccc[n+]31)[S+]=C(Nc1ccccc1)Nc1cccc[n+]12,CI,0
CCN(CC)C1=N[N+]2=C(C)c3cccc[n+]3[Ni-4]234([SH+]1)[SH+]C(N(CC)CC)=N[N+]3=C(C)c1cccc[n+]14,CI,0
CCC(C)[NH+]1c2cccc[n+]2[OH+][Cu-3]12[OH+][n+]1ccccc1[NH+]2C(C)CC,CI,0
C#CCCOC1(OC)N=NC(C)(C)O1,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCc3ccccc3)O2)c(=O)[nH]c1=O,CA,1
c1csc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1,CI,0
C1C2CC3CC1CC(c1nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s1)(C2)C3,CI,0
c1csc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1,CI,0
S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1,CI,0
O=C(NNC(=S)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2,CI,0
O=C(NNC(=S)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2,CI,0
C=C(Cc1ccc(O)cc1)C(=C)Cc1ccc(O)cc1,CI,0
C=C(Cc1ccc2c(c1)OCO2)C(=C)Cc1ccc(O)cc1O,CI,0
CC(NNC(=S)N1CCCCCC1)c1cccnn1,CI,0
CC(NNC(=S)N1CCCC1)c1cccnn1,CI,0
CC1(C)C2CC1C(CCCCCC1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12,CI,0
C[Sn](C)(Cl)CC(P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1,CI,0
Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2C(=O)C(S(=O)(=O)c4ccccc4)=CCC32)cc1,CI,0
O=c1c2cccnc2cc(-c2ccccc2)n1CCO,CI,0
CCOC(=O)Cc1[nH]c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1,CI,0
Cn1c2ccccc2c2cc(N3CCCC3)c3c(c21)C(=O)N(c1ccccc1)C3=O,CI,0
COc1ccc2[nH]cc(CN3CCC(CO)(c4ccccc4)CC3)c2c1,CI,0
NC(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1S,CI,0
CNC(=O)ON=C1N(C)CN(c2ccccc2)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl,CI,0
CC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1=CCCC1,CI,0
Cl.O=C(OCCC1=C2CCN(CC2)C1)C(O)(c1ccccc1)C1CCCC1,CI,0
CC#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccn1,CI,0
CC(C)C(O)(C(=O)OCC1=CC2CCN1CC2)c1ccccc1.Cl,CI,0
CC(C)C(O)(C(=O)OC=C1CC2CCN1CC2)c1ccccc1.Cl,CI,0
CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O,CI,0
C[N+]1(C)CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O.O=C([O-])C=CC(=O)O,CI,0
CN1CN(c2ccccc2)C2(CCN(CCCC3(c4cccs4)OCCO3)CC2)C1=O.O=C(O)C=CC(=O)O,CI,0
C=C(C)C(O)(C(=O)OC1CN2CCC1CC2)c1cccs1,CI,0
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1cccs1,CI,0
CN1CCC(OC(=O)C2(O)c3ccccc3Oc3ccccc32)CC1,CI,0
CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccns2)CC1,CI,0
CC#CC(O)(C(=O)OC1CCC2CCC1N2C)C1CCCC1,CI,0
CN1CN(c2ccccc2)C2(CCN(CCCSc3ccccc3NC(=O)C=Cc3ccccc3)CC2)C1=O.Cl,CI,0
Cl.NC1CC=C(COC(=O)C(O)(c2ccccc2)C2CC2)CC1,CI,0
CN1C(CC(O)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1.Cl,CI,0
O=C(OC1CN2CCC1CC2)C(O)(C1=CCCC1)c1ccccc1,CI,0
CCOC(CCCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)(OCC)c1ccc(F)cc1,CI,0
COC(=O)C1(OC(=O)Sc2ccccc2)CCN(C)CC1,CI,0
O=C1CC2(CCNCC2)C(=O)N1N1CCCC1,CI,0
CN1C(=O)N(C)C2(CCN(CCCCCCF)CC2)C1=O,CI,0
O=C1CC2(CCNCC2)C(=O)N1N1CCOCC1,CI,0
O=C1CC2(CCNCC2)C(=O)N1N1CCCCC1,CI,0
CN(C)N1C(=O)CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O,CI,0
O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1N1CCCCC1,CI,0
CN1CN(c2ccccc2)C2(CCN(CCCN(C)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CN1CN(c2ccccc2)C2(CCN(C3Nc4ccccc4O3)CC2)C1=O,CI,0
CCN1CN(c2ccccc2)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0
CC1N(C)C(=O)OC12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl,CI,0
CN1CN(c2ccccc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O,CI,0
CP1CCC(O)(c2ccccc2)CC1,CI,0
O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1,CI,0
CN1C(=O)N(C)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O,CI,0
CC1(C)OC(=O)CC12CCN(Cc1ccccc1)CC2,CI,0
CCC1C(OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2,CI,0
Cl.O=C1CC2(CCN(CC3COc4ccccc4O3)CC2)C(=O)N1N1CCCCCC1,CI,0
OC1(c2ccccc2)CC2CCC(C1)N2CCCC1(c2ccc(F)cc2)OCCO1,CI,0
Cl.N#CC(=C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1,CI,0
CC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)C1CCCC1,CI,0
OC1(c2ccccc2)CC2CCC(C1)N2CCCC(O)(c1ccccc1)c1ccccc1,CI,0
OC1(c2ccccc2)CC2CCC(C1)N2CCc1ccccc1,CI,0
CCOC(=O)N1CCC2(CC1)CC(=O)N(Nc1ccccc1)C2=O,CI,0
CC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CC1,CI,0
CN1CCC2(CC1)C(=O)N(NC(N)=O)C(=O)C2c1ccccc1,CI,0
CN1CCC2(CC1)C(=O)N(N1CCCCCC1)C(=O)N2c1ccccc1,CI,0
Cl.N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccccc1,CI,0
O=C1OCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,CI,0
S=c1cc(-c2ccc3c(c2)OCO3)s[nH]1,CI,0
CC(=O)CC1(OC(=O)C2C(C=C(C)C)C2(C)C)C(=O)Nc2ccccc21,CI,0
CC1=NOC2(C1)C(=O)Nc1ccccc12,CI,0
CCC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)(C)C1N1CCCCC1,CI,0
CN(C)CCCOC(=O)C(c1ccccc1)C1(O)CCSCC1,CI,0
Cl.O=C(OCCN1CCCCC1)C(c1ccccc1)C1(O)CCSCC1,CI,0
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,CI,0
Cl.O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccccc1,CI,0
CC#CC(O)(C(=O)OC1CCCN(C)C1)C1=CC=CCC1,CI,0
O=C(OC1CN2CCC1CC2)C(O)(C=Cc1ccccc1)c1ccccc1,CI,0
O=C1OC(CCCN2CCCCC2)(c2ccccc2)CC12CCCC2,CI,0
O=C1OCOC2(CCCC2)C1c1ccccc1,CI,0
Cl.O=C1CCC(C(=O)OC2CN3CCC2CC3)C(=O)N1,CI,0
CN1CCC(O)(OC(=O)C(c2ccccc2)C2(O)CCCC2)CC1,CI,0
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1,CI,0
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1,CI,0
NC(=O)ON=C1CCN(Cc2ccccc2)CC1,CI,0
CCC(=O)C(CCN1CCC(N2C(=O)C(CCC#N)c3ccccc32)CC1)(c1ccccc1)c1ccccc1,CI,0
c1cc(-c2cnc(-c3ccc4c(c3)CCCO4)o2)ccn1,CI,0
COc1ccc(-c2nnc(-c3ccncc3)o2)cc1,CI,0
c1cc(-c2ncc(-c3ccc4c(c3)CCCO4)o2)ccn1,CI,0
Cc1cc(Cc2c(F)c(F)c(Cc3cc(C)no3)c(F)c2F)on1,CI,0
Cc1cc(Cc2c(F)c(F)c(C(c3cc(C)no3)c3c(F)c(F)c(F)c(F)c3F)c(F)c2F)on1,CI,0
CC1(C)CCCOc2cccc(c2)OCCCC(C)(C)C1=O,CI,0
O=C(OC1CN2CCC1CC2)C(O)(Cc1ccccc1)C1CC1,CI,0
CN(C)CCCOC(=O)C(O)(Cc1ccccc1)c1cccc2c1OC(C)(C)C2,CI,0
CN1CCCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)C1,CI,0
O=C(OC1CN2CCC1CC2)C(O)(C#Cc1ccccc1)c1ccccc1,CI,0
CN1CCC(OC(=O)C(O)(c2ccccc2)c2cccc3c2OC(C)(C)C3)CC1,CI,0
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1,CI,0
O=C1C(=COc2ccc(F)cc2)N2CCC1CC2,CI,0
O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1,CI,0
N#CC1CCCC2SC(F)(F)C(F)(F)C12,CI,0
FC1(F)SC2CCCCCCCCCCC2C1(F)F,CI,0
CC1(C)CC(C2=NCCO2)CC(C)(C)N1,CI,0
CC1(C)COC(=O)C1[OH+][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2,CI,0
COC(=O)[CH-][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2,CI,0
Cl.O=C(CCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccccc1,CI,0
Cl.O=C1C(CN2CCCCC2)CCC1CN1CCCCC1,CI,0
O=C(NN=C1CCc2ccccc21)NN=C1CCc2ccccc21,CI,0
Cl.O=C1CCCCCCCCCCC1CN1CCCC1,CI,0
Cl.O=C1C(CN2CCCC2)CCCC1CN1CCCC1,CI,0
CC1(C)N=C(C2CCCN2C(=O)OCc2ccccc2)OC1=O,CI,0
O=C(O)C12C3CCC(O3)C1(C(=O)O)C1CCC2O1,CI,0
O=C(O)C12C3CCC(CC3)C1(C(=O)O)C1CCC2C1,CI,0
[Br-].c1ccc([P+](Cc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0
OCC(Cn1cncn1)(c1ccc(F)cc1F)n1cncn1,CI,0
COC(=O)CC1C=CC(C)(OC)OO1,CI,0
CCCCCCCCCCCCC1NC(=N)NC2(CCCO2)C1C(=O)OC,CI,0
CCCCCCCCCCCCC1NC(=N)N2CCCC2=C1C(=O)OC,CI,0
CCCCCCCCCCCC1NC(=N)NC(CCCO)=C1C(=O)OC,CI,0
Oc1c2cc(Br)cc1CCc1cc(Br)cc(c1O)CC2,CI,0
CN=c1sc2nc(C#N)c(C#N)nc2n1C,CI,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3ccccn3)c12,CI,0
CC1Oc2c3c(c4c(c2C(=O)C1C)OCC=C4)OCC=C3,CI,0
Nc1ccc(S(=O)(=O)c2ccc([N-][N+](=O)c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1,CI,0
Cc1cc(NS(=O)(=O)c2ccc(N=[N+]([O-])c3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1,CI,0
CC12C(=O)OCC(c3ccccc3)N1C(=O)N(Cc1ccccc1)C2CO,CI,0
Cc1cc(C(c2cc(C(=O)O)c(O)c(C(C)c3ccco3)c2)c2ccco2)cc(C(=O)O)c1O.N,CM,1
CN(C)c1nc(N(C)C)nc(N2C(=O)CCC2=O)n1,CI,0
CN(C)c1nc(N(C)C)nc(N2C(=O)c3ccccc3C2=O)n1,CI,0
Nc1ncccc1N1C(=O)c2ccccc2C1=O,CI,0
COC12COC(=O)C1C(c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3,CI,0
O=C1OCC2=C1C(c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3,CI,0
Cc1cn(C2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
Cc1cn(C2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O,CI,0
O=C(NCCN1CCOCC1)c1ccc(I)cc1,CI,0
CN1CC(c2ccccc2)N(CCCCN2CC(c3ccccc3)N(C)CC2c2ccccc2)CC1c1ccccc1,CI,0
Clc1ccc2c(NCCCCN3OC3c3ccccc3)ccnc2c1,CI,0
Clc1ccc2c(NCCCCN=Cc3ccccc3)ccnc2c1,CI,0
COC(=O)c1ccc(N=NN(C)COc2ccc(C#N)cc2)cc1,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCOc3ccccc3)O2)c(=O)[nH]c1=O,CA,1
Cc1ccc(Nc2ncnc3sc(SCc4ccccc4)nc23)cc1,CI,0
CCNc1ncnc2sc(SCc3ccccc3)nc12,CI,0
O=C1C(=Cc2cccc3ccccc23)CCc2ccc([N+](=O)[O-])cc21,CI,0
CC1(C)CNCC2(C)OCCCOC3(C)CNCC(C)(C)NC(=O)C(C)(CNCC(C)(C)NC3=O)OCCCOC(C)(CNCC(C)(C)NC2=O)C(=O)N1,CI,0
CN1CCC=C(COC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cl,CI,0
CN1CN(c2ccccc2)C2(CCN(CCc3csc4ccccc34)CC2)C1=O,CI,0
CN1CN(c2ccccc2)C2(CCN(CCC3COc4ccccc4O3)CC2)C1=O,CI,0
CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1,CI,0
COC(=O)C1C(OC(=O)C(Cl)(c2ccccc2)c2ccccc2)CC2CCC1N2C.Cl,CI,0
C=CCN(Cc1ccncc1)C(=O)C(O)(c1ccccc1)c1ccccc1,CI,0
CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O,CI,0
CN1CN(c2ccccc2)C2(CCN(CC(C)(c3ccc(F)cc3)C3OCCCO3)CC2)C1=O,CI,0
CC(C)CN1CN(c2ccccc2)C2(CCN(CC(C)(c3ccc(F)cc3)C3OCCO3)CC2)C1=O.Cl,CI,0
CN1CCC(OC(=O)Oc2ccccc2)(c2ccccc2)CC1,CI,0
CC#CC(O)(C(=O)OC1CCN(C)C1)c1ccccc1,CI,0
Cl.O=C(CCCN1CCC2(CC1)CC(c1ccccc1)OC2=O)c1ccc(F)cc1,CI,0
O=C(O)C1(CC(CCCN2CCCCC2)c2ccccc2)CCCC1,CI,0
O=C1OCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)=C1c1ccccc1,CI,0
CCC(=O)C(CCN1CCC2(CCCc3ccccc32)CC1)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O,CI,0
CCC(=O)C1(N2CCOCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl,CI,0
CC(=O)NCC1(c2ccccc2)CCN(CC2COc3ccccc3O2)CC1,CI,0
OC1(c2ccccc2)C2CCN(CC2)C1CN1CCOCC1,CI,0
Cl.O=C(CCCN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)CC1)c1ccccc1,CI,0
O=C(OC1CCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1,CI,0
O=C(CCN1CCCC(O)C1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1,CI,0
O=C1NCC2(CCN(CC3COc4ccccc4O3)CC2)N1c1ccccc1,CI,0
CN1C(=O)N(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O,CI,0
Cl.O=C(CCCN1CCC2(CC1)C(=O)NC(=O)N2c1ccccc1)c1ccc(F)cc1,CI,0
O=C1NCC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)N1c1ccccc1,CI,0
O=C(CCCN1CCC2(CC1)C(NC1CCCCC1)=NC(=O)N2c1ccccc1)c1ccc(F)cc1,CI,0
O=C1N=C(NC2CCCCC2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)N1c1ccccc1,CI,0
O=C1NCC2(CCNCC2)N1c1ccccc1,CI,0
CN1CCC2(CC1)C(NC1CCCCC1)=NC(=O)N2c1ccccc1.Cl,CI,0
Cl.Fc1ccc(C2(CCCN3CCc4[nH]c5cc(F)ccc5c4C3)OCCO2)cc1,CI,0
c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)cc1,CI,0
C(#CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CI,0
O=C1NC(=O)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1,CI,0
S=C1N=C(NC2CCCCC2)C2(CCN(CCc3ccccc3)CC2)N1c1ccccc1,CI,0
CN1CCC2(CC1)C(NC1CCCCC1)=NC(=S)N2c1ccccc1,CI,0
O=C1N=C(NC2CCCCC2)C2(CCN(CCc3ccccc3)CC2)N1c1ccccc1,CI,0
Cl.O=C(CCCN1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccc(F)cc1,CI,0
CN1c2ccccc2C(=O)NC12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl,CI,0
O=C1NC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)Oc2ccccc21,CI,0
O=C(OC1CN2CCC1CC2)C1(c2ccccc2)COc2ccccc21,CI,0
CN1c2ccccc2C(=O)NC12CCN(CC1COc3ccccc3O1)CC2,CI,0
Cl.O=C(CCCc1cccc2[nH]c3c(c12)CN(Cc1ccccc1)CC3)c1ccc(F)cc1,CI,0
O=C1NC2(CCN(CCc3ccccc3)CC2)Oc2ccccc21,CI,0
O=C1NCC2(CCN(Cc3ccccc3)CC2)N1,CI,0
CN1c2ccccc2C(=O)NC12CCNCC2,CI,0
O=C1NCC2(CCNCC2)N1,CI,0
c1ccc(CN2CCC3(N4CCOCC4)C(C2)N=NN3c2ccccc2)cc1,CI,0
CN1c2ccccc2C(=O)NC12CCN(Cc1ccccc1)CC2,CI,0
CCN(CC)Cc1nc(C2CCC([N+](=O)[O-])O2)no1,CI,0
CC(Cc1ccccc1)N(C)Cc1nc(C2CCC([N+](=O)[O-])O2)no1,CI,0
c1ccc(CN2CCC(=NN3CCCCC3)CC2)cc1,CI,0
CC(C)C1=C(Cc2ccccc2)C(=O)OC1=Cc1cc(Cl)c(O)c(Cl)c1,CI,0
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3=O,CA,1
COC(=O)C1=C(C(=O)OC)SC(=C2c3ccsc3-c3sccc32)S1,CI,0
Clc1ccc2sc(-n3ccc4ccccc43)nc2c1,CI,0
N#Cc1nc(C2=C(Cl)c3ccccc3OC2)[nH]c1C#N,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc(-c2ccccc2)cc1,CI,0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc2ccccc12,CM,1
CC(=O)CCNc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)cc1,CI,0
C(=Cc1cc(-c2ccc3ccccc3n2)nc2ccc3ccccc3c12)c1ccc2ccccc2n1,CI,0
O=[N+]([O-])c1ccc(C=Cc2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1,CI,0
C(=Nc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1)c1ccccc1,CI,0
O=C(C(=O)c1cc(-c2ccccc2)nc2ccc3ccccc3c12)c1ccccc1,CI,0
CC1C(C)(C)C23CC12C1(OCCO1)C3Br,CI,0
O=C(c1nsc(Cl)c1Cl)N1CCCCC1,CI,0
Clc1c(C(Cl)(Cl)Cl)nsc1N1CCCCC1,CI,0
O=[N+]([O-])C(=C1OCCS1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(=C(Sc1ccccc1)Sc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(=C(Nc1ccccc1)SCc1ccccc1)C(Cl)=C(Cl)Cl,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(SCc1ccccc1)N1CCCCC1,CI,0
O=[N+]([O-])C(C=C(n1nnc2ccccc21)n1nnc2ccccc21)=C(n1nnc2ccccc21)n1nnc2ccccc21,CI,0
O=[N+]([O-])C(C=C(Cl)n1nnc2ccccc21)=C(Cl)n1nnc2ccccc21,CI,0
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(n1nnc2ccccc21)n1nnc2ccccc21,CI,0
O=C1NNC(=O)C2C3c4ccccc4C(c4ccccc43)C12,CI,0
CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(Nc3ccccc3)C(=O)C12,CI,0
CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccccn3)C(=O)C12,CI,0
O=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1,CI,0
O=C1NC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21,CI,0
N#CC(CCN1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)(c1ccccc1)c1ccccc1,CI,0
CC(=O)N(c1ccccc1)C1(c2nnnn2C2CCCCC2)CCN(Cc2ccccc2)CC1,CI,0
c1ccc(CN2CCC(Nc3ccccc3)(c3nnnn3Cc3ccccc3)CC2)cc1,CI,0
COc1ccc(-n2nnnc2C2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1,CI,0
COc1cc(C(=O)NC(CCN)(c2ccccc2)c2ccccc2)cc(OC)c1OC,CI,0
COc1cc(C2NCCC(c3ccccc3)(c3ccccc3)N2)cc(OC)c1OC.Cl,CI,0
c1ccc(NC2(c3nnnn3C3CCCCC3)CCNCC2)cc1,CI,0
CN(C)c1ccc(-c2nc(O)c3ccccc3[n+]2C)cc1,CI,0
N=C(N)N1CCC(N2CCOCC2)CC1.O=S(=O)(O)O,CI,0
COc1ccccc1N1CCN(CCCNC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1,CI,0
Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O,CI,0
O=C1CCCN1CC#CCN1CC2C3CCC(C3)C2C1,CI,0
CCCOC(C(=O)OC1CCC2CCC1N2C)(c1ccccc1)c1ccccc1,CI,0
COc1cc(C(=O)OC2CCC3CCC2N3C)cc(OC)c1OC,CI,0
O=C(CCCCCCCCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1,CI,0
OCC12COC(c3ccccc3)N1C(c1ccccc1)OC2,CI,0
C=C1CN(C2=NCCO2)C1,CI,0
FC1(F)SC2C(C1(F)F)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,CI,0
CN1CCN(C2=NCCO2)CC1,CI,0
C1CCC2C(C1)CCCC2NC1=NCCO1,CI,0
FC1=C2C3CCC(C3)C2C1(F)F,CI,0
FC1(F)[Se]C2C3CCC(C3)C2C1(F)F,CI,0
FC1C2=C(SC1(F)F)C1CCC2C1,CI,0
CN(C)C=Nc1cccc2c1NSN2,CI,0
FC(F)(F)C1(C(F)(F)F)C2CCC3(CC(F)(F)C(F)(F)S3)C1C2,CI,0
CC12CCCCC1=C(F)C(F)(F)S2,CI,0
FC1=C2CCCCCC2SC1(F)F,CI,0
CC12CCC(CC(=O)C1=C(Br)I)C2(C)C,CI,0
Cc1cn(C2CC3C(CON3C)O2)c(=O)[nH]c1=O,CI,0
Cn1ccc2c(c1=O)C(=O)OC2(C)C,CI,0
Nc1ncnc2c1nnn2C1CCC(CP(=O)(O)O)C1,CI,0
NC(=O)c1ncn(C2CCC(CP(=O)(O)O)C2)c1N,CI,0
NC(=O)c1ncn(C2C=CC(CP(=O)(O)O)C2)c1N,CI,0
O=C(CC(=O)N(C(=O)C=Cc1ccccc1)c1ccc(Cl)cc1)N1N=C(c2ccccc2)C(N=Nc2cccc([N+](=O)[O-])c2)C1=O,CI,0
CC(=O)N(CC(=O)C(=O)NNc1ccoc1)c1ccc(Cl)cc1,CI,0
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)NN=Cc1cc(N=Nc2ccccc2Cl)ccc1O,CI,0
CC1=NN(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0
CC[N+]1(CC)CCN[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])O,CI,0
COC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1,CI,0
c1ccc(-c2nc(-c3ccccc3SSc3ccccc3-c3nc(-c4ccccc4)nn3-c3ccccc3)n(-c3ccccc3)n2)cc1,CI,0
CCOC(=O)NN(C(=O)OCC)C(=C(C1=CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC,CI,0
CC1CCCC1=C(I)C(=O)c1ccccc1,CI,0
O=C1OC(=C(Cl)c2c3ccccc3cc3ccccc23)c2ccccc21,CI,0
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)n(C)c2)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH],CM,1
Cc1ccc2ccc3c(-c4ccccc4)cc(C)nc3c2n1,CI,0
Cc1nc2ccccc2c(-n2cccn2)c1CCn1cccn1,CI,0
CSc1nc(C)c2c(n1)N(c1ccc(Cl)cc1)CC2,CI,0
Cc1nc2[nH]nnn2c(=O)c1CCO,CI,0
Cc1nn(-c2nc(O)cc(-c3ccccc3)n2)c(O)c1CCO,CI,0
Cc1nn(-c2nc(O)c3c(n2)CCCC3)c(O)c1CCO,CI,0
Cc1nn(-c2nc(O)c3c(n2)CCC3)c(O)c1CCO,CI,0
N=C(N)n1nc2c(c1O)CCCC2,CI,0
COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(C)cc2c1C(=O)C=CC2=O,CI,0
COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(OC)c(Br)c(=O)o1,CI,0
CC1OCC(O)C(C2OC(c3ccccc3)=NC2CO)O1,CI,0
C=CCC1(Sc2ccccn2)Sc2ccc3ccccc3c2-c2c(ccc3ccccc23)S1,CI,0
O=[N+]([O-])c1cc2c(c3nonc13)OCCCCO2,CI,0
Nc1c(Cl)c([N+](=O)[O-])cc2c1OCCCCO2,CI,0
Br.NC1NCCC(=O)N1CCc1c[nH]c2ccccc12,CI,0
CN(C)C(c1ccccc1)C1COC2Cc3ccccc3C1O2,CI,0
CC1=CC=C2c3ccccc3C=CN2C(=O)C1,CI,0
O=CC(=C1C=Cc2cc([N+](=O)[O-])ccc2S1)c1ccccc1,CI,0
CC(=O)c1ccc(Br)cc1NC1=CC(=O)c2ncccc2C1=O,CI,0
c1ccc2c(c1)SCCC2NC1=NCCO1,CI,0
O=C(O)CCC1C(=O)C2CCN1CC2,CI,0
C1CCC(CC2CCC(NC3=NCCO3)CC2)CC1,CI,0
OC1(CCc2ccccc2)COC(C(F)(F)F)(C(F)(F)F)C1,CI,0
ON=C1CSc2ccccc2C1,CI,0
CN(C)N=C1CCC(C(F)(F)F)(C(F)(F)F)O1,CI,0
Cl.ClCCN1CCOC1=Nc1ccc2c(c1)CCCC2,CI,0
CCN(CC)Cc1ccccc1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CI,0
COc1ccc(N2N=NN(C(C)C)C2=C(Cl)c2nnnn2-c2ccc(OC)cc2)cc1,CI,0
O=C1C(c2ccccc2)C2c3ccccc3CCN12,CI,0
FC1(F)ON2CCc3ccccc3C2C1c1ccccc1,CI,0
CC1(C)CCCCC1C=CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0
CC1(C)CC(=O)C2=C(C1)C(c1ccccc1Cl)C1C(=O)CC(C)(C)CC1(O)O2,CI,0
Cc1cc2ccccc2c[n+]1CC(=O)CC([O-])(C(F)(F)F)C(F)(F)F,CI,0
CC(c1ccccc1)n1cncc1C(=O)NN1CCN(C)CC1,CI,0
CCOC(=O)C1SCCC1(C)O,CI,0
CC1=CC(=O)c2cccc(NC3=NCCO3)c21,CI,0
C=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OCC12CCCC2,CI,0
COC(=O)C1CN=CN1CCc1ccccc1,CI,0
c1sc(NC2=NCCO2)c2c1CCCC2,CI,0
CC(NC1=NCCO1)c1ccsc1,CI,0
C1COC(NC(C2CC2)C2CC2)=N1,CI,0
c1ccc(C(NC2=NCCO2)C2CC2)cc1,CI,0
c1csc(C(NC2=NCCO2)C2CC2)c1,CI,0
CC(NC1=NCCO1)c1ccco1,CI,0
c1cc(NC2=NCCO2)c2c(c1)OCO2,CI,0
CC1(C)C2CCC3CC(CCC#N)CCC3C21C#N,CI,0
CN(NC1=NCCO1)c1ccc2ccccc2c1,CI,0
c1cc2c(cc1NC1=NCCO1)OCO2,CI,0
Cc1cc(N(C)c2ccccc2)nc(N(C)c2ccccc2)n1,CI,0
c1ccc2cc3c(NC4=NCCO4)cccc3cc2c1,CI,0
c1ccc2c(c1)-c1ccccc1C2NC1=NCCO1,CI,0
c1cc(C2=NCCO2)c2ccsc2c1,CI,0
COC(=O)CC[N+]1([O-])CC1,CI,0
O=[N+]([O-])CC(SCc1ccccc1)c1ccc2c(c1)OCO2,CI,0
CC(C)Oc1ccc(CNC2=NCCO2)c2ccccc12,CI,0
Cc1cc(C)c(-c2noc(=NS(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1,CI,0
C=Cc1ccccc1C1(O)C=CC(OC)(OC)C=C1,CI,0
Cc1cc(O)cc(O)c1C(=O)OC1(C)C(=O)C=C2C=C(C=CC(=O)O)OC=C2C1=O,CI,0
O=S(=O)(CCn1c(Sc2ccccc2)c(Sc2ccccc2)c2ccccc21)c1ccccc1,CI,0
O=C(OCCNC(=O)N1CC1)OCCNC(=O)N1CC1,CI,0
O=C(NCCOC(=O)OCCNC(=O)NC1CCCCC1)NC1CCCCC1,CI,0
CN1C=COC1N=C1CCCCC1,CI,0
c1cc2c(cc1NC1=NCCO1)CCCC2,CI,0
CC1CC(C)CC(NC2=NCCO2)C1,CI,0
Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O,CI,0
Oc1c(O)c(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1,CI,0
Cc1ncc([N+](=O)[O-])n1CC[N+](C)(O)CCCCn1ccnc1[N+](=O)[O-].[Cl-],CI,0
CCN(CCCl)c1cc(C(=O)Nc2cc(NC(=O)c3cc(N(CC)CCCl)c([N+](=O)[O-])cc3[N+](=O)[O-])cc(C(=O)NCCN(C)C)c2)c([N+](=O)[O-])cc1[N+](=O)[O-].Cl,CI,0
O=C1NC(=O)C(F)(n2cc(F)c(=O)[nH]c2=O)C(O)N1,CI,0
O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc3ccccc3c(=O)n2c2ccccc12,CI,0
Cc1nnc2cc(C(=O)O)c3ccccc3n2c1=O,CI,0
c1ccc2c(c1)nc1n2C2CCC(C2)N1,CI,0
O=C(O)COCC(=O)N(CCOCCN(Cc1ccccc1)C(=O)COCC(=O)O)Cc1ccccc1,CI,0
CCCCCCc1nn2c(-c3ccncc3)nnc2s1,CI,0
COc1c2occc2c(OC)c2c(=O)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)coc12,CI,0
CN(C(=O)c1ccc(Cl)s1)C(=S)N(C)C(=O)c1ccc(Cl)s1,CI,0
CC(=O)N1C(=O)CC2(N=C(C)CC2=O)c2ccccc21,CI,0
CCOC(=O)C1=C(C)C(C(=O)OC)C(=Cc2cccc3cccnc23)C1=O,CI,0
CCOC(=O)c1c(-c2ccccc2)oc(=O)c(Cc2cccc3cccnc23)c1-c1ccccc1,CI,0
COc1cc2c(cc1OC)C1CC3(CCN1CC2)C(=O)N(c1ccccc1)C(=O)N3C(C)=O,CI,0
Oc1cccc2c1N1CCN2CC1,CI,0
C1CCCN(NC2=NCCO2)CC1,CM,1
COC(=O)CN1CCN(c2cccc3c2CCCC3)CC1,CI,0
O=c1[nH]c(=S)[nH]n1C(=S)n1[nH]c(=S)[nH]c1=O,CI,0
CC1CCC2(CC1)N=C1CCC(C)CC1C1(CCC(C)CC1)N2,CI,0
CC1CCC2(CC1)NC1=C(CC(C)CC1)C1=C2CC(C)CC1,CI,0
N#CC12C(=O)NC(=O)C1(C#N)C1C=CC2CC1,CI,0
CC(=O)ON=C1C=Cc2c(no[n+]2[O-])C1=O,CI,0
COC1(OC)c2no[n+]([O-])c2C(OC)(OC)[c-]2c1no[n+]2=O,CI,0
O=[n+]1onc2c3nn(-c4ccccc4)nc3cc[c-]21,CI,0
O=[n+]1onc2[c-]1-c1nonc1CC2,CI,0
[O-][n+]1onc2c1CCC(=NO)C2=NNc1ccccc1,CI,0
O=[N+]([O-])C1([N+](=O)[O-])CC2(Cc3c1no[n+]3[O-])OCCO2,CI,0
[O-][n+]1onc2c1C(=NO)CCC2,CI,0
NN=C1CCCc2c1no[n+]2[O-],CI,0
Cc1noc(C)c1N=Nc1ccc2nonc2c1N,CI,0
CC(=O)c1ccc(N=Nc2ccc3nonc3c2N)cc1,CI,0
O=C1NCCCc2nonc21,CI,0
O=[N+]([O-])C1([N+](=O)[O-])CCCc2nonc21,CI,0
NN=C1C(=NO)CCc2nonc21,CI,0
ON=C1CCc2nonc2C1=NNc1ccccc1,CI,0
O=[N+]([O-])C1=C[C-]2C(=[N+]([O-])C3(CCCCC3)[N+]2=O)C=C1,CI,0
O=C(O)c1nn(-c2ccccc2)nc1-c1nn(-c2ccccc2)nc1C(=O)O,CI,0
n1nc2c([nH]1)c1nn[nH]c1c1nn[nH]c21,CI,0
O=[N+]([O-])C1([N+](=O)[O-])CCC([N+](=O)[O-])([N+](=O)[O-])c2nn(-c3ccccc3)nc21,CI,0
CC1(C)NC(C)(C)C(=NO)C(=NO)C1=NO,CI,0
CC1(C)N=C(C(Cl)=[N+]([O-])C(=O)c2ccc(Cl)cc2)C(C)(C)N1O,CI,0
COC(=O)C1ON2C(C1C(=O)OC)C(C)(C)N(O)C2(C)C,CI,0
CC1(C)C2CC(c3ccncc3)ON2C(C)(C)N1O,CI,0
CC1(C)[N+]([O-])=[N+]([O-])C1(Br)c1ccccc1,CI,0
CC1(C)N[C-](C(=O)c2ccccc2)[N+](=O)C1(O)c1ccccc1,CI,0
CC1(C)CC(C#Cc2ccccc2)CC(C)(C)N1O,CI,0
C1=CC2=CC=CC3c4nc5ccc6ccccc6c5nc4C(=C1)C23,CI,0
CC1=[N+]([O-])C2(CCCC2)N(O)C1(C)C,CI,0
Oc1c(N2CCCCC2)cc(-c2cc(N3CCCCC3)c(O)c3ccccc23)c2ccccc12,CI,0
CC12CCCCC1=[N+]([O-])C(C)(C)N2O,CI,0
CC1=NC(C)(C)[N+]([O-])=C1,CI,0
COc1nc2c(c(=O)n1C)NC(C(O)C(O)CO)C=N2,CI,0
O=C1c2ccccc2-c2nnc3c(c21)Cc1ccccc1C3,CI,0
Cc1cc2c(nn1)-c1ccccc1C2=O,CI,0
O=P(O)(Cc1ccccc1)OCC1(O)OCC(O)C(O)C1O,CI,0
O=C(N=C(c1ccc(F)cc1)c1ccsc1-n1cccc1)Nc1ccccc1,CI,0
O=C1OC(c2ccccc2)c2ccsc2-n2cccc21,CI,0
Cl.Fc1ccc(C2NC(c3ccc(Cl)cc3)c3cccn3-c3sccc32)cc1,CI,0
CC1(C)NC(c2ccccc2)c2ccsc2-n2cccc21.Cl,CI,0
Cl.OC1(CN2CCOCC2)N=C(c2ccccc2)c2ccsc2-n2cccc21,CI,0
O=C(NCCN1CCOCC1)C1(O)N=C(c2ccccc2)c2ccsc2-n2cccc21,CI,0
O=C(NCC1(O)N=C(c2ccc(F)cc2)c2ccsc2-n2cccc21)c1ccc(Cl)cc1Cl,CI,0
OC1(CN2CCCCC2)N=C(c2ccccc2)c2ccsc2-n2cccc21,CI,0
OC1(c2ccccc2)N=C(c2ccccc2)c2ccccc2-n2cccc21,CI,0
Br.c1ccc2c(c1)C(=NCCCN1CCCCCCC1)c1cccn1-2,CI,0
O=C(NCCCCCCCN1CCCCCC1)C1c2ccccc2-c2ccccc21,CI,0
O=C(NCCCCN1CCCCCC1)C1c2ccccc2-c2ccccc21,CI,0
Cl.O=C(NCCCCN1CCCC1)C(c1cc2ccccc2s1)C1CCCCC1,CI,0
O=C(NC1CN2CCC1CC2)C(c1ccc(F)cc1)c1ccc(F)cc1,CI,0
CCC(C(=O)NC1CN2CCC1CC2)c1ccccc1,CI,0
O=C(CC(c1ccccc1)c1ccccc1)NCCCCN1CCCCCCC1.O=C(O)C(=O)O,CI,0
Cl.O=C(NCCCCN1CC2CCCC2C1)C(C1CCCCC1)C1CCCCC1,CI,0
Cl.O=C(NCCCN1CC2CCCC2C1)C(C1CCCCC1)C1CCCCC1,CI,0
Cl.O=C(NCCCCCCCN1CCCCCCC1)C(C1CCCCC1)C1CCCCC1,CI,0
Cl.O=C(NCCCN1CC2CCCC2C1)C(c1ccccc1)c1ccccc1,CI,0
Cl.O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(C1CCCCC1)C1CCCCC1,CI,0
O=C(O)C(=O)O.c1ccc(C(CNCCN2CCCCCC2)C2CCCCC2)cc1,CI,0
CC1CCN(CCCCCNC(=O)C(c2ccccc2)C2CCCCC2)CC(C)(C)C1,CI,0
O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O,CI,0
Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CM,1
C=CCN1C(=O)CSC1=NNC(=O)C(O)(c1ccccc1)c1ccccc1,CI,0
CCN1C(=O)CSC1=NNC(=O)C(O)(c1ccccc1)C1C=CC=CC1,CI,0
O=C1c2c[nH]nc2C(c2ccccc2)N1c1ccccc1,CI,0
CN(C)C(C1=C(O)C(c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1,CI,0
CCN(C=C1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O)CC,CI,0
N#Cc1nc(NC(=O)c2ccccc2)sc1N,CI,0
N#Cc1[nH]c(=O)n(-c2cccc3ccccc23)c1N,CI,0
CC(=O)[OH+][Co-3]12(Oc3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3ncccn3)cc1)Oc1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2ncccn2)cc1,CI,0
CC(=O)[OH+][Cu-4]12(Oc3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3ncccn3)cc1)Oc1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2ncccn2)cc1,CI,0
CC(=O)[OH+][Cu-4]12([OH+]c3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)[OH+]c1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,CI,0
CC(=O)[OH+][Co-3]12([OH+]c3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)[OH+]c1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,CI,0
Cc1ccnc(NS(=O)(=O)c2ccc(N=Cc3ccccc3O)cc2)n1,CI,0
COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Co-4]2(O)(O)([OH+]C(C)=O)[n+]2ccccc2)c1,CI,0
CCCCCCCC=[N+]1[N-]C(c2ccncc2)=[O+][Co+2]1(O)(O)(O)(O)[OH+]C(C)=O,CI,0
O[Zn-2]12[O+]=C([N-][N+]1=Cc1ccccc1)c1ccccc1[OH+]2,CI,0
CC(=O)[OH+][Ni-4]12(O)([O+]=C(c3ccncc3)[N-][N+]1=Cc1ccsc1)[n+]1cccc3ccc4ccc[n+]2c4c31,CI,0
COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Zn-4]2(O)(O)(O)[OH+]C(C)=O)c1,CI,0
CC(=O)[OH+][Ni-4]1(O)(O)([n+]2ccccc2)[O+]=C(c2ccncc2)[N-][N+]1=Cc1ccoc1,CI,0
COc1cccc2c1[OH+][Pd-2]1(O)[O+]=C(c3ccccc3O)[N-][N+]1=C2,CI,0
CCCCCCCC=[N+]1[N-]C(c2ccncc2)=[O+][Ni-2]12[O+]=C(c1ccncc1)[N-][N+]2=CCCCCCCC,CI,0
COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Cu+2]23(O)(O)([OH+]C(C)=O)[n+]2cccc4ccc5ccc[n+]3c5c42)c1,CI,0
COc1cccc2c1[OH+][Cu-3]1(O)[O+]=C(c3ccccc3O)[N-][N+]1=C2,CI,0
N#CC1C(=O)SC2c3ccccc3C(=O)c3ccccc3C12,CI,0
c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1,CI,0
c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1,CI,0
O=c1ccc(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)c3ccccc3c(=O)c21,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21,CI,0
CC1=C2c3ccccc3N(C(=O)C=CC(=O)O)C2C2C(=O)OC(=O)C2C1,CI,0
CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)C3C2C1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCCCC4C3C2=O)cc1,CI,0
COc1ccc(N2C(=O)C(=O)C3(CCCCC3)C2=O)c2ccccc12,CI,0
COc1ccc(CN2C(=O)C(=O)N(C)C2=O)c2ccccc12,CI,0
c1ccc(CSC2(SCc3ccccc3)CCCC2)cc1,CI,0
c1ccc(CSC(SCc2ccccc2)c2cccc3ccccc23)cc1,CI,0
c1ccc(C(NC2=NCCO2)c2ccccc2)cc1,CI,0
Br.CC(C)(CCCCC(C)(C)NC1=NCCO1)NC1=NCCO1,CI,0
CCOC(=O)N1CCN(C(=O)Nc2cccc3ccccc23)CC1,CI,0
Br.c1ccc2c(CCNC3=NCCO3)cccc2c1,CI,0
N=c1[nH]c2ccc3ccccc3c2[nH]1,CI,0
CCN(CC)CCNCc1cc(Cl)cc2c1OCOC2,CI,0
Clc1nc(Cl)nc(Nc2cccc3ccccc23)n1,CI,0
N#Cc1c(N)nc(Nc2cccc3ccccc23)c(C#N)c1C#N,CI,0
CC(C)(CCCCC(C)(C)C1NC(=O)N1)C1NC(=O)N1,CI,0
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2CC(c1ccccc1)c1ccc(O)c(O)c1O,CI,0
CC1(C)CC(=O)C(C(CC(c2ccccc2)c2cc3c(cc2O)OCO3)C2=C(O)CC(C)(C)CC2=O)=C(O)C1,CI,0
C=CCC1(C)CCCN(Cc2ccccc2)C1=O,CI,0
O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)CCC2(C(=O)c2ccccc2)O1,CI,0
COC(=O)c1ccccc1C#CC#Cc1ccccc1C(=O)OC,CI,0
COC(=O)C1(CCC(=O)N(C)c2ccccc2)NNC2C(=O)N(c3ccccc3)C(=O)C21,CI,0
C=CCCC1(CC(Sc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)OCCO1,CI,0
C=CCOC(=O)C1C2OC3(C(C(=O)OC)=C2C(=O)OC)c2ccccc2CCC13,CI,0
C=CCc1ccccc1C1CC2(C(=O)OC)OC1C(C(=O)OC)=C2C(=O)OC,CM,1
[N-]=[N+]=CC(=O)C1CCN(c2ccccc2)C1=O,CI,0
CC1(CCCC2(C)CCNC2=O)OCCO1,CI,0
O=C(OC(=C(c1ccccc1)c1ccccc1)N1CCCC1=S)C(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C12CCC(c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC,CI,0
O=C(Nc1ccccc1F)c1c(O)nc2sccn2c1=O,CI,0
O=C(Nc1nccs1)c1c(O)nc2sccn2c1=O,CI,0
CCCCC(=O)c1c(O)nc2sccn2c1=O,CI,0
CC1=Nc2nc(Cl)cn2C(=O)C1(Cl)Cl,CI,0
O=c1cc(-c2ccccc2)[nH]c2nccn12,CI,0
Cc1cc(=O)n2ccnc2[nH]1,CI,0
O=c1c2c([nH]c3nccn13)CCCC2,CI,0
COc1cccc(NC(C)=C2CCOC2=O)c1,CI,0
O=C1COc2ccc([N+](=O)[O-])cc2C(=O)C1,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)c3ccco3)OCC(=O)c3ccco3)O2)c(=O)[nH]c1=O,CA,1
CCOC(=O)c1c2cccccc-2nc1Nc1ccccc1N1C=CC(C)C(C(=O)OC)=C1C(=O)OC,CI,0
CCOC(=O)c1c2cccccc-2nc1Nc1cccc2c(C)ccnc12,CI,0
Cc1nc2cccc(F)c2c(=O)n1C1CCCCNC1=O,CI,0
Cc1nc2cccc(F)c2c(=O)n1-c1nnc(C2CC2)s1,CI,0
O=C(C=CC(=O)NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O)NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH],CI,0
O=C1OC(C(O)c2cccnc2)c2ccccc21,CI,0
CSc1ccc(C(=O)C(=O)c2ccc(SC)s2)s1,CI,0
CSc1ccc(C(=C=C=C(c2ccc(SC)s2)c2ccc(SC)s2)c2ccc(SC)s2)s1,CI,0
COc1cc(OC)c(CSCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1,CI,0
OC(c1cc2ccccc2o1)c1cc2ccccc2s1,CI,0
OC(c1ccoc1)c1cc2ccccc2s1,CI,0
OC(c1cccs1)c1cc2ccccc2s1,CI,0
OC(c1ccsc1)c1cc2ccccc2s1,CI,0
c1ccc2c(c1)CCN2CCN1CCc2ccccc21,CI,0
CCCC(CCC)C1=[O+][Cu-4]234[O+]=C(C(CCC)CCC)[OH+][Cu-4]2([O+]=C(C(CCC)CCC)[OH+]3)([O+]=C(C(CCC)CCC)[OH+]4)[OH+]1,CI,0
CC(C)C1NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C1OC2C,CI,0
O=C(C=C(SC=C(c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c21)C(=O)c1ccccc1)c1ccccc1,CI,0
COC(=O)C=C(SC=C(c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c21)C(=O)OC,CI,0
N=C(N)C1CN(CCCCCCCCCCN2CC(C(=N)N)C(=O)NC2=O)C(=O)NC1=O,CI,0
CC1(C)CCCC2(C)C1CCC1(C)Oc3cc(O)c(O)cc3C(C#N)C12,CI,0
C1CCN(C2=[S+][Ru][SH+]2)CC1,CI,0
C1CCN(C2=[S+][Ru-2]3([S+]=C(N4CCCCC4)[SH+]3)[SH+]2)CC1,CI,0
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCc3ccccc3)O2)c(=O)[nH]c1=O,CA,1
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C,CI,0
S=C1C(CCCOCc2ccccc2)C2CCCC23CC2(CCN13)OCCS2,CI,0
CC(C)CC(=O)CC(C)C1(CCCOCc2ccccc2)C(=O)N2CCC3(CC24CCCC14)OCCO3,CI,0
N=C1NNC(=O)c2cccnc2N1,CI,0
O=C(CN1CCOCC1)NC1=NNC(=O)c2cccnc2N1,CI,0
C=CCC(SC)C1=C(C)C(=O)c2ccccc21,CI,0
C=CCC1(C2=C(C)C(=O)c3ccccc32)CCCS1,CI,0
C=C=C(CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CI,0
C=C=C(CC1CCCCC1=O)S(=O)(=O)c1ccccc1,CI,0
CC1(CCC2C=CCC2)CCCNC1=S,CM,1
O=S(C=CC=CS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
O=S(=O)(C=CC=CS(=O)(=O)c1ccccc1)c1ccccc1,CI,0
CC(C)CC(C#CCCOC(=O)c1ccccc1)OC(=O)c1ccccc1,CI,0
[N-]=[N+]=C(C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CI,0
CCOC(=O)C(C(=O)c1ccccc1C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1,CM,1
COC(C)C12C3(c4ccccc4)[Co]1(C#[O+])(C#[O+])(C#[O+])[Co]32(C#[O+])(C#[O+])C#[O+],CI,0
O=C(Cc1ccc([N+](=O)[O-])cc1)OCC#CCOC(=O)Cc1ccc([N+](=O)[O-])cc1,CI,0
CCc1cc2c(oc3cc(C)ccc32)c(=O)n1C,CI,0
CCc1cc2c(oc3c4ccccc4ccc23)c(O)n1,CI,0
Cc1cc2cc3ccccc3cc2c(O)n1,CI,0
Cc1c(C(=O)O)c2cc3ccccc3cc2c(=O)n1C,CI,0
CCc1cc2c(oc3cc(C)ccc32)c(O)n1,CI,0
CN1CNc2[nH]c(=N)n(C)c(=O)c2C1,CI,0
CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cn1C,CI,0
CCOC(=O)c1cc(-n2nnc3ccccc32)cn1C,CI,0
Cc1nn(-c2ccccc2)c2c1CC(=O)Nc1ccccc1-2,CI,0
O=C(NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O)C(=O)NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH],CI,0
CC(=O)N(C(=O)CC(=O)NNCc1ccccc1Cl)c1ccc(Cl)cc1,CI,0
CC(NNC(=O)CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O,CI,0
O=C(Nc1ccc(Br)cc1)c1c(-c2ccccc2)c2ccc(O)cc2oc1=O,CI,0
Cc1ccc(CS(=O)(=O)CN=C2Sc3ccccc3NC2=CC(=O)c2ccc(Cl)cc2)cc1,CI,0
Cc1ccc(C(=O)C=C2Nc3ccccc3SC2=NCS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
Cc1ccc(C(=O)Cc2nc3c(nc2O)c(C)nn3-c2ccccc2)c(C)c1,CI,0
Cc1ccc(S(=O)(=O)CN2C(=O)C(c3ccccc3)(c3ccccc3)C23OC(c2ccc(Cl)cc2)=CC3=O)cc1,CI,0
O=C(C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2)C(Br)C(=O)c1ccccc1,CI,0
Cc1ccc(C(=CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)Sc2ccccc2)cc1,CI,0
Cc1cn(C2CC(S(=O)c3ccccc3)C(CO)O2)c(=O)[nH]c1=O,CI,0
CNc1c2c(c3nc4ccccc4c4c3c1N=C4)NCCC2=O,CI,0
Cl.Oc1c(CN2CCOCC2)ccc2cccnc12,CI,0
COC(=O)C1=C(C)C=C(N2CCOCC2)C(C(=O)OC)C1c1ccccc1,CI,0
Brc1c(OCc2ccccc2)ccc2ccccc12,CI,0
Brc1ccc(OCc2ccccc2)c2ccccc12,CI,0
CC1Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2C(C)N1Cc1ccccc1,CI,0
C[n+]1c(C=Cc2ccc3c(c2)OCO3)ccc2ccccc21.[I-],CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)(C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CI,0
[O-][n+]1cc(SCc2ccccc2)ncc1SCc1ccccc1,CI,0
COc1nc(N)c(N=O)c(OCc2ccccc2)n1,CI,0
CC(=O)OC1COC(Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OC1COC(Nc2[nH]c(=N)n(C)c(=O)c2N=O)C(OC(C)=O)C1OC(C)=O,CI,0
COc1cc(OC)c2c(=O)c3ccccc3n3c(C(C)O)cc1c23,CI,0
O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(OCCN1CCCCCC1)C(c1ccsc1)C1CCCCC1,CI,0
Cl.O=C(NCCCN1CCCCCC1)C(c1ccccc1)C1CCCCC1,CI,0
O=C(NC1CC(=NO)c2c(Br)sc(Br)c21)C(F)(F)F,CI,0
Cl.NC1c2c(Br)sc(N3CCCC3)c2C(=O)C1O,CI,0
O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCC(c4ccccc4)CC3)c21,CI,0
CC(C)C(NC(=O)Oc1ccccc1)C(=O)NC1c2c(Br)sc(Br)c2C(=O)C1O,CI,0
O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCNCC3)c21,CI,0
CC=CC=C1C=Cc2c(C(=O)OC)coc(=O)c21,CI,0
CCOC(=O)C12CC(C=COC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2=O,CI,0
CCC(C)(C)c1cc2c(O)c(c1)C1(CC(C)(C)c3ccc(O)c1c3)SS2,CI,0
c1ccc(C2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=NC34CCCCC24)Nc2ccccc2N=5)cc1,CI,0
O=C1C=C2C(=NC34CCCCC3C(c3ccccc3)C3=C(c5ccccc5CC3)N24)c2ccccc21,CM,1
c1ccc2c(c1)N=c1cc3c(cc1N2)=NC12CCCCC1CC1=C(CCCC1)N32,CI,0
COc1ccccc1C=Cc1nc2ccccc2o1,CI,0
O=c1[nH]c(=Cc2ccc3c(c2)OCO3)c(=O)[nH]c1=Cc1ccc2c(c1)OCO2,CI,0
N=c1ccn(C2CCC3(CO)CC23)c(=O)[nH]1,CI,0
O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1.[NaH],CM,1
O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CA,1
CC(C)(C)c1cc(C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O,CI,0
CCN(CC)CC.O=P(O)(OCCc1ccccc1)Oc1ccccc1O,CI,0
CCOC(=O)c1sc2nc1CSc1sc(=S)sc1SCc1nc(sc1C(=O)OCC)-c1nc(c(C(=O)OCC)s1)CSc1sc(=S)sc1SCc1nc-2sc1C(=O)OCC,CI,0
O=C1CCSc2nc(-c3ccc4c(c3)OCO4)nn21,CI,0
CCOc1c(OC)cc(-c2nc3n(n2)C(=O)C(CC)S3)cc1OC,CI,0
CC(c1ccccc1)N1CN(C(=O)OCc2ccccc2)C(C)(C)CC1=O,CI,0
CC(c1ccccc1)N1CN(C(=O)OCc2ccccc2)C(CO)C1=O,CI,0
COC(=O)Cc1ccc2c(cnn2-c2ccccc2)c1OC,CI,0
CCCCCCCCCCC[N+]1(Cc2ccccc2)CC2CCN(Cc3ccccc3)CC2C1.[Br-],CI,0
COC(=O)C1Cc2cc(O)c(O)cc2C2(CCN(C)CC2)O1.Cc1ccc(S(=O)(=O)O)cc1,CM,1
CC(=O)N(C(C)=O)c1ncc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c(-c2ccccc2)n1,CI,0
CN(C)C=C(C(=O)c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1,CI,0
Nc1c2cc3ccc2nc2ccc(cc12)OCCOCCOCCOCCOCCOCCO3,CI,0
Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCOCCO3,CI,0
Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCO3,CI,0
CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCCO3.Cl,CI,0
O=c1c2cccnc2[nH]c2ccc3scnc3c12,CI,0
O=c1[nH]c2cc3[nH]c4ncccc4c(=O)c3cc2[nH]1,CI,0
c1ccc(C2=NC3OC2c2ccccc23)cc1,CI,0
CC1(C)Cc2ccccc2C(C)(Cl)C(=O)N1,CI,0
COC(=O)c1c(C(=O)OC)c(C(c2ccccc2)c2ccccc2)n(-c2ccccc2)c1Cl,CI,0
COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O,CI,0
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1,CI,0
CC1CCC2(C(=O)O)CCC3(C)C(=C2C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C,CI,0
C[N+](C)(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-].[I-],CI,0
Cc1cccc(C=NNC(=S)N2CCCC2)n1,CI,0
NNc1nnc(-c2nnc(NN)o2)o1,CI,0
C(=NNc1nnc(-c2nnc(NN=Cc3ccccc3)o2)o1)c1ccccc1,CI,0
CC1=C(C(=O)OC2CC3CCC2(C)C3(C)C)C2Nc3ccccc3N(C)C2O1,CI,0
CC1(C)[C-](c2ccccc2)[N+](=O)C(C)(C)N1O,CI,0
O=C1OC(C(O)CO)C(C(O)CO)OC1=O,CI,0
CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3=NOC)C(=NOC)CCC2,CI,0
CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3=O)C(=O)CCC2,CI,0
O=C(NN=C1CCc2ccccc2C1)NN=C1CCc2ccccc2C1,CI,0
C=C(C)C1Cc2c(cc(O)c3c(=O)c4c(oc23)C(O)Oc2cc(OC)c(OC)cc2-4)O1,CI,0
CC(=O)OCC12CCC3C4(C)CCCC(C)(C)C4CCC3(C)C1CC(C1=CC(=O)OC1O)O2,CI,0
CC(=CCCC1=CC(=O)OC1)CCC1C2C(=O)CC(C)C3(C)CCC1(C)C23C,CI,0
Cc1ccc(S(=O)(=O)OC2C(O)C(O)OC2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1,CI,0
Cc1ccc(S(=O)(=O)OC2C3OC(C)(C)OC3OC2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1,CI,0
COC(=O)C1(C)CCCC2(C)C3(O)C(C)C(=O)OC(c4ccoc4)C3C(OC(C)=O)C12O,CI,0
CC1C(=O)OC2CCC3(C)C(=O)OC4OC5(c6ccoc6)CC1(O)C2(C)C43O5,CI,0
CC1C(=O)OC2C=CC3(C)C(=O)OC4OC5(c6ccoc6)CC1(O)C2(C)C43O5,CI,0
CC(=O)OC1C2C(=C(C)C(=O)OC2c2ccoc2)C2(C)CC3CC(C)(C(=O)O3)C12,CI,0
CC(=O)OC1C2C(=C(C)C(=O)OC2c2ccoc2)C2(C)C3CCC(C)(C(=O)O3)C12,CM,1
c1ccc2c(c1)cc1n2CCc2c-1[nH]c1ccccc21,CI,0
c1ccc2c(c1)CC1c3[nH]c4ccccc4c3CCN21,CI,0
c1ccc2c(c1)CCN2CCc1c[nH]c2ccccc12,CI,0
O=C(C(=O)N1CCc2ccccc21)c1c[nH]c2ccccc12,CI,0
O=C(C(=O)n1ccc2ccccc21)c1c[nH]c2ccccc12,CI,0
c1ccc2c(c1)ccn2CCc1c[nH]c2ccccc12,CI,0
C=C1OC(=O)C2(C(C=CC)C=CC(=O)C2O)C1O,CI,0
COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4c5ccccc5CCC4C3C2=O)c1,CI,0
Cn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)C=CC3=O,CI,0
CN1CCN(c2cc3nsnc3c3nsnc23)CC1,CI,0
C=CCc1c(O)c2nsnc2c2nsnc12,CI,0
O=[N+]([O-])c1ccc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)o1,CI,0
N#Cc1ccc(N=C(NCC(=O)O)Nc2ccc3ccccc3c2)cc1,CI,0
C1=C(c2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1,CI,0
CC1OC(c2ccccc2)=CC(OCc2ccccc2)C1OCc1ccccc1,CI,0
CC1OC(c2ccc3c(OCc4ccccc4)cccc3c2O)CC(OCc2ccccc2)C1OCc1ccccc1,CI,0
c1ccc(COCC2OC(c3ccccc3)CC(OCc3ccccc3)C2OCc2ccccc2)cc1,CI,0
CC(C)(C)[Si](C)(C)Oc1cc(CO)cc2c1cc(=N)o[n+]2[O-],CI,0
N#Cc1ccc(N=C(NCC(=O)O)Nc2cccc3ccccc23)cc1,CI,0
C=C(C)C1Cc2c(cc3c(c2O)c(=O)c2ccccc2n3C)O1,CI,0
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C1OCC(C)(O)C1O3,CI,0
CCOc1ccc(-c2nc(-c3oc4ccccc4c(=O)c3OC(C)=O)cs2)cc1,CI,0
O=C(OCc1ccccc1)C1(N2CN(C3(C(=O)OCc4ccccc4)CCCC3)CN(C3(C(=O)OCc4ccccc4)CCCC3)C2)CCCC1,CI,0
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CCN(CCO)CC1,CI,0
CCOC(=O)c1ccc(C(=O)OCC)n1-c1cc2cc(c1)CSCc1cc(cc(-n3c(C(=O)OCC)ccc3C(=O)OCC)c1)CSC2,CI,0
COC(=O)CSc1nc2[nH]c(SC)c(C(N)=O)c2c(=O)n1-c1ccccc1,CI,0
CCSc1[nH]c(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C(N)=O)c1C(N)=O,CI,0
CCSc1[nH]c(N=C(NC(=O)c2ccccc2)NC(C)C)c(C(N)=O)c1C(N)=O,CI,0
CCSc1[nH]c(NC(=S)NC(=O)c2ccccc2Cl)c(C(N)=O)c1C(N)=O,CI,0
CCOC(=O)CSc1[nH]c(NC(=S)Nc2ccccc2)c(C(N)=O)c1C(N)=O,CI,0
CN1CCO[Ge]2(OCC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2,CI,0
CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC2OC24CC=CC(=O)C14C)C(=O)OC35C,CI,0
CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3CC=CC(=O)C31C)C(=O)OC24C,CI,0
Br.CN(C)c1nc(=NCc2ccncc2)ss1,CI,0
Br.CN(C)c1nc(=NCc2cccnc2)ss1,CI,0
Br.CN(C)c1nc(=NCc2cccs2)ss1,CI,0
Br.CN(C)c1nc(=NCc2ccccn2)ss1,CI,0
CN(C)NC1=NS(=O)(=O)c2cc3c(cc2S1)N(N(C)C)C(=O)c1cc2c(cc1N(N(C)C)C3=O)SC(NN(C)C)=NS2(=O)=O,CI,0
CN(C)NC1=NS(=O)(=O)c2cc3c(=O)n(C)[nH]c3cc2S1,CI,0
CSC1=NS(=O)(=O)c2cc(C(=O)NN(C)C(=O)c3cc4c(cc3Cl)SC(SC)=NS4(=O)=O)c(Cl)cc2S1,CI,0
Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccccc1)=NS2(=O)=O,CI,0
Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccncc1)=NS2(=O)=O,CI,0
Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccco1)=NS2(=O)=O,CI,0
Cc1cc2c(cc1Cl)SC(NNC1=NCCN1)=NS2(=O)=O,CI,0
Cc1cc2c(cc1Cl)SC(NNc1ccc([N+](=O)[O-])cc1)=NS2(=O)=O,CI,0
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(SC(C(=O)O)c2ccccc2)cc1Cl,CI,0
Cc1cc(S(N)(=O)=O)c(SCc2nc(N)nc(N(C)C)n2)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2cc(=N)[nH][nH]2)c(SCc2nc(N)nc(N(C)C)n2)cc1Cl,CI,0
Cc1cc(S(=O)(=O)Nc2nncn2-c2ccc(Cl)cc2)c(S)cc1Cl,CI,0
Cc1cc2c(cc1Cl)SSc1cc(Cl)c(C)cc1S(=O)(=O)N=C1NC(=N)NN1C(O)N1NC(=N)NC1=NS2(=O)=O,CI,0
Cc1cc(S(=O)(=O)Nc2n[nH]c(Nc3ccccc3)n2)c(S)cc1Cl,CM,1
c1csc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)c1,CI,0
C[n+]1ccccc1.O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)O)ccc3O)cc2)cc1)c1cc(S(=O)(=O)O)ccc1O.[Cl-].[NaH],CM,1
O=S(=O)(O)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)ccc4O)cc3)cc2)c1.[NaH],CI,0
CON=C(C(=O)N(C(=O)C(=NOC)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)n1cnn(CC(=O)OC(C)(C)C)c1=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
CON=C(C(=O)N(C)n1cnnc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
CON=C(C(=O)[N-]n1cn[n+](CC(=O)[O-])c1)c1csc(=N)[nH]1.[Na+],CI,0
CON=C(C(=O)OC(=NC1CCCCC1)NC1CCCCC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
CON=C(C(=O)Nc1cncs1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
CON=C(C(=O)[N-]n1cn[n+](CC(=O)OC(C)(C)C)c1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0
CON=C(C(=O)Nc1cncs1)c1csc(=N)[nH]1,CI,0
CC(C)(C)OC(=O)Cn1ncn(NC(=O)Cc2ccccc2)c1=O,CI,0
CC1(C)C(C#N)C1C1=C(N2CCOCC2)C2(C)C(CCC2OC(=O)c2ccccc2)C1,CI,0
O=S(=O)(CCCC1C(CCOCc2ccccc2)C2CCCN1O2)c1ccccc1,CI,0
COC(=O)C1(C)CCCC2(C)C1CCC13C=C(C(C)C)C(CC21)CC3(Cl)C#N,CI,0
CC(C)c1ccc2c(c1)C=C1OC(=O)C3(C)CCCC2(C)C13,CI,0
COC(=O)C1(C)CCCC2(C)C1CCC13C=C(C(C)C)C(CC1=O)CC32,CI,0
CN1N=C(c2ccccc2)c2cc(Cl)ccc2N=C1NN=Cc1ccc(N(C)C)cc1,CI,0
CN(C(=O)CC(=O)CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
O=C(CP(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(c2ccccc2)c2ccccc2)c1,CI,0
O=C(CP(=O)(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(=O)(c2ccccc2)c2ccccc2)c1,CI,0
CC(=O)C12CC(C#N)(N3CCCCCC3)C1C=Cc1ccccc12,CI,0
CCCCC1(NN=C2CCCCC2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c(C)c(C(=O)OCC)n7ccccc67)n5)ccc4C3CCC21C,CI,0
CCOC(=O)CNC1=c2ccccc2=S(=O)(O)N=N1,CI,0
CC(=O)CC12NC(=O)N(C)N=C1N(C)C(=O)N(C)C2=O,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O,CI,0
CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O,CI,0
CCOC(=O)NN(C(=O)OCC)C(=C(c1ccccc1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC,CI,0
[C-]#[N+]C1(C)CCC2C(C)CCC(C(=C)C)C23C=C(C)CCC13,CI,0
COC(=O)C=C1CC2OC(O)(C1)C(C)C(=O)OC1CC(C=C(C)C)OC(CC3(O)OC(CCC2O)C(C)C2(O)CCC(C)C(=O)C32)C1C,CI,0
CC(C)C1CSC2N1C(=O)C2(OCc1ccccc1)C1CC1,CI,0
Cc1c(CCOC=O)c(=O)nc2[nH]ncn12,CI,0
O=C1NC(O)c2cc3ccccc3cc2O1,CI,0
[Br-].c1cc(C[S+]2CCCC2)oc1C[S+]1CCCC1,CI,0
[Cl-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)s2)(c2ccccc2)c2ccccc2)cc1,CM,1
[Cl-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1,CM,1
[Cl-].c1cc(C[S+]2CCCC2)sc1C[S+]1CCCC1,CI,0
CC1OC(OCC2OC(Oc3ccc(C4CC(=O)c5c(O)cc(O)cc5O4)cc3O)C(O)C(O)C2O)C(O)C(O)C1O,CI,0
CC1(C(=O)O)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4,CI,0
Nc1cc([N+](=O)[O-])ccc1N1C(=O)CCCC1=O,CI,0
Oc1nncc(NN=C(C=Cc2ccc(CC(=NNc3cnnc(O)c3Cl)c3ccccc3)cc2)c2ccccc2)c1Cl,CI,0
CSC1=NN(C(C)=O)C(C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)S1,CI,0
CCOC1SC(SC)=NN1C(=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)N1N=C(SC)SC1OCC,CI,0
CC(C)C1CCC2(C)CC3C(CO)CC(O)C3C(C)(O)CC=C12,CI,0
CC1(C)C(=O)c2ccccc2OC1N1CCN(C2Oc3ccccc3C(=O)C2(C)C)CC1,CI,0
CC1(C)C(O)c2ccccc2OC1N1CCN(C2Oc3ccccc3C(O)C2(C)C)CC1,CI,0
C1=C(c2ccccc2)C(N2CCOCC2)Oc2ccccc21,CI,0
CC(=N)NOCc1nc(C)no1,CI,0
COc1ccc(C2CC(=O)Oc3ccccc3O2)cc1,CI,0
O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c2ccccc21,CI,0
O=C1C(=Cc2ccco2)C(=O)C2CCCCC12,CI,0
O=c1ccn(C=C(c2ccccc2)S(=O)Cc2ccccc2)c(=S)[nH]1,CI,0
O=C(NC=C(c1ccccc1)S(=O)Cc1ccccc1)Nc1ccccc1Cl,CM,1
CC1CCC2C(C(=O)OC3C4CCOC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12,CI,0
CC1CCC2C(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12,CI,0
COc1ccccc1NC(=O)C(=CN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S)C(C)=O,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)NC(=O)NC1=O,CI,0
CC1=CC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(=O)O1,CI,0
O=C1NC(=O)C(=CNC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)CC(=O)NC1=S,CI,0
O=C(OCc1ccccc1)C(c1ccccc1)=[N+]1C(=S)Nc2ccc([N+](=O)[O-])cc21,CI,0
CCOC1=C=C=C(NC=C2SC(=S)NC2=O)C=C1,CI,0
O=C1NC(=O)C(=CNC(=S)NN=C2C(=O)Nc3ccccc32)C(=O)N1,CI,0
O=C(C(=CNC(=S)NC1C(=O)Nc2ccccc21)C(=O)c1ccccc1)c1ccccc1,CI,0
O=C(C(=Cn1c(=O)cc[nH]c1=S)C(=O)c1ccccc1)c1ccccc1,CI,0
N#CC(=Cn1ccc(=O)[nH]c1=S)C(=O)c1ccc2ccccc2c1,CI,0
C=CCNC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1,CI,0
O=C(C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1)c1ccccc1,CI,0
N#CC(=CNC(=S)NC1CCCCC1)c1nc2ccccc2s1,CI,0
Oc1nc2ccccc2nc1C=CNC(=S)NCc1ccccc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=Cn2c(=S)[nH]c3ccc([N+](=O)[O-])cc32)cc1,CI,0
N#CC(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1ccc2ccccc2c1,CI,0
N#CC(=Cn1ccc(=O)[nH]c1=S)c1nc2ccccc2s1,CI,0
CCOC(=O)C(NC(=O)c1ccccc1)C(C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C(NC(C)=O)C(c1ccccc1)[Sn](Cl)(c1ccccc1)c1ccccc1,CI,0
C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(C)C12,CI,0
C=C1C(=O)OC2C1CCC(C)=C1C(=O)C3OC3(C)C12,CI,0
CC(C)=CCS(=O)c1ccccc1NC1=CC(=O)CC(C)(C)C1,CI,0
COc1ccc(-c2oc3cc(-c4cc5oc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5cc4OC)c(OC)cc3c2-c2ccc(OC)cc2)cc1,CI,0
CN(C)C12C=CC=CC3=C(c4ccccc4)C(c4ccccc4)=C(c4ccccc4)C31c1ccccc1C2,CI,0
CNC1c2ccccc2C(=O)c2cc3c(cc21)OCCOCCOCCOCCO3,CI,0
Cc1cnc(N=c2sc(C)cn2-c2ncc(C)s2)s1,CI,0
O=C1Nc2ccccc2C1=NNC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1c(=S)sc2ccccc21,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NCCc1ccc(OC)c(OC)c1,CI,0
N#CC(=CN1CCNC1=S)c1nc2ccccc2s1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)c1cccnc1,CI,0
N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)NN=C1C(=O)Nc2ccccc21,CI,0
N#CC(=CNC(=S)NCc1ccccc1)c1nc2ccccc2s1,CI,0
N#CC(=Cn1c(=S)sc2ccccc21)c1nc2ccccc2s1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NCc1ccccc1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1ccc(=O)[nH]c1=S,CI,0
COc1ccccc1NC(=O)C(=CNC(=S)NCCNc1ccc(OC)c(OC)c1)C(C)=O,CI,0
N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)c1nc2ccccc2s1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNS(=S)c2ccncc2)cc1,CI,0
COc1ccc(CCNC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1OC,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=Cn2ccc(=O)[nH]c2=S)cc1,CI,0
COCOC1C=CCCCc2cc(C)c(o2)CC1,CI,0
Oc1ccccc1C1C=C(c2ccccc2)NC(N2CCCCC2)=C1c1nc2ccccc2[nH]1,CI,0
O=C(c1ccco1)N(Cc1ccco1)C(=S)Nc1ccccc1,CI,0
O=C(Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)OCc1ccccc1.[NaH],CI,0
c1ccc2c(c1)CCc1[nH]c3c(c1-2)-c1ccccc1CC3,CI,0
N#CC(=CN1CC(=O)NC1=S)C(=O)c1ccc2ccccc2c1,CI,0
N#CC(=CN1CCNC1=S)C(=O)c1ccc2ccccc2c1,CI,0
CCOC(=O)C1N=[N+](c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21,CI,0
O=C1CN(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=S)N1,CI,0
N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)c1ccc2ccccc2c1,CI,0
COc1ccccc1NC(=O)C(=CC1CC(=O)NC1=S)C(C)=O,CI,0
N=C1NN(c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccccc21,CI,0
N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc2ccccc2c1,CI,0
O=C1CN(C=C(c2ccccc2)S(=O)Cc2ccccc2)C(=S)N1,CI,0
O=C(C(=CNC(=S)NCc1ccccc1)C(=O)c1ccccc1)c1ccccc1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CCNC1=S,CI,0
N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)NC1CCCCC1,CI,0
N#CC(=CN1CC(=O)NC1=S)c1nc2ccccc2s1,CI,0
N#CC(=CNC(=S)c1ccncc1)c1nc2ccccc2s1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NN=C1C(=O)Nc2ccccc21,CI,0
Cc1noc(NS(=O)(=O)c2ccc(NC(=S)NC=C(C(=O)c3ccccc3)C(=O)c3ccccc3)cc2)c1C,CI,0
COc1ccc(CCNC(=S)NC=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC,CI,0
O=C(C1=CC=CCC1)C(=CNC(=S)c1ccncc1)C(=O)c1ccccc1,CI,0
CC(=O)NNC(=S)NC=C(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0
COc1ccc(C=C2SC(=S)N(C=C3C(=O)NC(=S)NC3=O)C2=O)cc1OC,CI,0
CCOC(=O)C(=CN1CC(=CC(C)=Cc2ccccc2)SC1=S)C(=O)OCC,CI,0
O=C1NC(=O)C(CN2C(=O)C(=Cc3cccc(O)c3)SC2=S)C(=O)N1,CI,0
COc1ccc(NC(=O)C(=CN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)C(C)=O)cc1,CI,0
CCOC(=O)C(=CN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S)C(=O)c1ccccc1,CI,0
CC1=NN(c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccccc21,CI,0
Cc1cc2oc(=O)cc(C)c2c(=O)o1,CI,0
COC(=O)C12CCC1(C(=O)OC)C1(C)OC(=O)C=C(C)C12,CI,0
CCOC(=O)C1=C(C)OC(=O)C2(OC)C=C(Cl)C12C,CI,0
O=C1CC(=O)N(C=C2C(=O)NC(=O)NC2=O)C(=S)N1,CI,0
CC1=CC(=O)C(=CN2C(=S)NC(=O)C2=Cc2cccc([N+](=O)[O-])c2)C(=O)O1,CI,0
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=S)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1,CI,0
CCCCOC(=O)C(=O)C(=CN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S)C(=O)C=C(C)C,CI,0
N#CC(=CN1C(=O)CC(=O)NC1=S)c1cccc(Cl)c1,CI,0
COC(=O)C(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)c1c(C)[nH]c2ccccc12,CI,0
O=C1NC(=O)C(=Cn2c(=S)sc3ccccc32)C(=O)N1,CI,0
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(c3ccccc3)S(=O)Cc3ccccc3)C2=O)cc1,CI,0
COC(=O)C(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1c(C)[nH]c2ccccc12,CI,0
CCOC(=O)C(=Cn1c(=O)[nH]c(=O)[nH]c1=S)C(=O)c1ccccc1,CI,0
CC(=NNC(=O)C(C#N)=Cc1ccc(N(CCC#N)CCC#N)cc1)c1ccccc1,CI,0
CCOc1ccc(N=Nc2ccc3cc(C(C)=NNC(=O)C(C#N)=Cc4ccc(N(CCC#N)CCC#N)cc4)c(=O)oc3c2)cc1,CI,0
O=C(CC(=O)Nc1ccccc1)NN=Cc1cc(N=Nc2ccc(Br)cc2)ccc1O,CI,0
COc1cc(C2c3[nH]c4ccc(F)cc4c3CC3COC(=O)N32)cc(OC)c1O,CI,0
O=c1ccn(C=Cc2nc3ccccc3nc2O)c(=S)[nH]1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CN2CC(=O)NC2=S)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)NN=C2C(=O)Nc3ccccc32)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)=CN2CCNC2=S)cc1,CI,0
COc1ccc(CCNC(=S)NC=Cc2nc3ccccc3nc2O)cc1OC,CI,0
Oc1nc2ccccc2nc1C=Cn1c(=S)[nH]c2ccccc21,CI,0
CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1,CI,0
O=C1CN(C=C(c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)C(=S)N1,CI,0
O=C1CN(C=C2C(=O)NC(=O)NC2=O)C(=S)N1,CI,0
Cc1noc(NS(=O)(=O)c2ccc(NC(=S)NC=C3C(=O)NC(=O)NC3=O)cc2)c1C,CI,0
CC1=CC(=O)C(=Cn2c(=S)sc3ccccc32)C(=O)O1,CI,0
COC(=O)C(=O)C(=CNC(=S)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])cc1,CI,0
COC(=O)C(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)c1ccc([N+](=O)[O-])cc1,CI,0
CC(=O)Nc1ccc(C=C2C(=O)NC(=S)N2C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1,CI,0
CC(=Cc1ccccc1)C=C1C(=O)NC(=S)N1C=C1C(=O)NC(=O)NC1=O,CI,0
CCOC(=O)C(=CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)C(=O)c1ccccc1,CI,0
CC1=CC(=O)C(=CNC(=S)c2cccnc2)C(=O)O1,CI,0
O=C1NC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)N1,CI,0
COc1ccc(NC(=O)C(=CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)NC2=S)C(C)=O)cc1,CI,0
COC(=O)C(=O)C(=CNC(=S)NC1CCCCC1)C(=O)c1ccc(F)cc1,CI,0
CN=c1sc2c(n1C)C(=O)c1ccccc1C2=O,CI,0
COC1=CC(=O)C2C=C3C(CO)=CCC(O)C3(C)CC2C1=O,CI,0
N#Cc1c(O)c(C=Nc2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12,CI,0
N#Cc1c(O)c(C=Nc2ncccn2)c(=O)n2c1[nH]c1ccccc12,CI,0
CCN1C(=O)C(=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)SC1=S,CI,0
O=C1C(=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)C(=O)c2ccccc21,CI,0
S=C1SC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21,CI,0
O=C1C(=CC=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)C(=O)c2ccccc21,CI,0
CC(=Cc1ccccc1)C=C1SC(=S)N(C=C2C(=O)NC(=O)NC2=O)C1=O,CI,0
O=C1C(=O)C(c2ccccc2)S(=O)(=O)C1c1ccccc1,CI,0
Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)C(=Cc1ccc3c(c1)OCO3)S2.[Br-],CI,0
COc1ccc(C=C2C(=O)NC3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1.Cl,CI,0
Br.O=C1C(=Cc2ccc(Cl)cc2)SC2SC=C(c3ccc([N+](=O)[O-])cc3)N12,CI,0
O=C1NC(=Cc2ccccc2)C(=O)N1CN1CCCC1,CI,0
S=c1sc2ccccc2n1CN1CCCC1,CI,0
CCCCCCNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
O=C1NC(=Cc2ccc(C=C3NC(=O)N(CN4CCCCC4)C3=O)cc2)C(=O)N1CN1CCCCC1,CI,0
O=C(NCc1ccccc1)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
O=C1NC(=O)C(=Cc2ccc(C=C3NC(=O)NC3=O)cc2)N1,CM,1
O=C1NC(=O)C(=Cc2c(O)ccc3ccccc23)N1,CI,0
CC(=Cc1ccccc1)C=C1NC(=S)N(CN2CCCCCC2)C1=O,CI,0
CC1=NC(=Cc2cccs2)C(=O)O1,CI,0
CC(C)N(CN1C(=O)NC(=Cc2cccc(C=C3NC(=O)N(CN(C(C)C)C(C)C)C3=O)c2)C1=O)C(C)C,CM,1
O=C(NCc1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
O=[N+]([O-])c1c(C=Nc2ccccc2)oc(-c2c(O)ccc3ccccc23)c1-c1c(O)ccc2ccccc12,CI,0
O=C(NC1CCCCC1)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0
S=c1[nH]c2ccccc2c(=S)n1CN1CCCCC1,CI,0
CC(=O)NC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)N1C,CI,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)n1,CI,0
O=C1C(=CNC(=S)NCc2ccccc2)C(=O)c2ccccc21,CI,0
CC(=O)c1sc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc1C,CI,0
Cc1noc(NS(=O)(=O)c2ccc(Nc3nc(CC(=O)Nc4ccccc4)cs3)cc2)c1C,CI,0
O=C(C=Cc1ccccc1)CSc1ncn[nH]1,CI,0
COc1ccc(C(O)c2nccn2C)c(OC)c1,CI,0
Cl.Clc1ccc(CCn2ccc3ccccc32)c(Cl)c1,CI,0
COc1ccc(CCn2cnc3ccccc32)cc1.Cl,CI,0
CCCCCc1cc(CCCC)sc1-c1ccco1,CI,0
CS(=O)(=O)OCC1OC2OC3(CCCCC3)OC2C1OCc1ccccc1,CI,0
O=C(OCc1ccccc1)N1CC(O)C2OC3OC4(CCCCC4)OC3C21,CI,0
CC1(C)OC2OC3C(I)CN(C(=O)OCc4ccccc4)C3C2O1,CI,0
CC(=O)OC1C(=O)OC2COC(c3ccccc3)OC21,CI,0
CC(=O)OCC1OC(=O)C2OC(c3ccccc3)OC12,CI,0
CC1(C)OC2COC(=O)CC2O1,CI,0
O=C1CC2OC(c3ccccc3)OC2CO1,CI,0
O=C1OCC(C2CCCCC2)C(Br)=C1Br,CI,0
Cc1cc(Cc2cccc3ccccc23)nc2c1ccc1ccccc12,CI,0
Cc1ccccc1OCC1COC(c2ccc(Cl)cc2)O1,CI,0
C[N+]1(C)CC=C(N2CCOCC2)CC1.[I-],CI,0
CCNc1cc2c3c(c1)CCN3CCC2.Cl,CI,0
OC(CC(=NN1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F,CI,0
Clc1ccc(Cl)c(N=Nc2cc3c4c(c2)CCN4CCC3)c1,CI,0
Cn1ccoc1=Nc1ccc(Cl)c(Cl)c1,CI,0
Clc1ccc(Nc2ncco2)cc1Cl,CI,0
CCOC(=O)CC(N1CC1)N1CC1,CI,0
OC(C1CCC=NN1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,CI,0
CCOC1CN=C(Nc2cccc3ccccc23)S1,CI,0
OC(C1CCCC1=NN=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl,CI,0
Clc1ccc(Cl)c(N=Nc2cc3c4c(c2)CCCN4CCC3)c1,CI,0
CC(C)(CCCCC(C)(C)NCC1COc2ccccc2O1)NCC1COc2ccccc2O1.Cl,CI,0
COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O,CI,0
O=C1NC(=O)C23C(=O)NC(=O)C12C1C=CC3CC1,CI,0
c1ccc(CSCCC(SCc2ccccc2)SCc2ccccc2)cc1,CI,0
C(=CC(SCc1ccccc1)SCc1ccccc1)c1ccccc1,CI,0
c1ccc(CSC2(SCc3ccccc3)CCCCC2)cc1,CI,0
c1ccc(CSC(SCc2ccccc2)c2ccc3c(c2)OCO3)cc1,CI,0
Br.COc1cc(CNC2=NCCC2)cc(OC)c1OC,CI,0
Cl.O=C(N1CCN(CCO)CC1)N1c2ccccc2Sc2ccccc21,CI,0
OCC(CN1CCCCC1)(CN1CCCCC1)CN1CCCCC1,CI,0
COc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1,CI,0
O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccccc21,CI,0
c1ccc2c(c1)Sc1ccccc1N2CCCN1c2ccccc2Sc2ccccc21,CI,0
c1cncc(-c2ncc3cccnc3n2)c1,CI,0
O=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2,CI,0
O=C(NCCc1ccccc1)C(=Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1,CI,0
COc1ccc(CCNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC,CI,0
O=C(NC1CCCCC1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
O=[N+]([O-])C(C=Nc1ccccc1)C=Nc1ccccc1,CI,0
CC(=Cc1ccccc1)C=C1N=C(c2ccccc2)OC1=O,CI,0
CC(=Cc1ccccc1)C=C1NC(=O)NC1=O,CI,0
CC(=Cc1ccccc1)C=C1NC(=S)NC1=O,CI,0
COC(=O)C1=C(C)C(=O)C23C(CCCCC12)C(=O)C(C(=O)OC)C3C,CI,0
Cc1cc(-n2c(C=Cc3ccc(Cl)cc3)nc3cc(Cl)ccc3c2=O)on1,CI,0
CCOC(=O)c1cn(C)nc1NC(C)=CC(=O)c1ccccc1,CI,0
N#CCCCCC12C3C(=O)N(c4ccccc4)C(=O)C3ON1OC1C(=O)N(c3ccccc3)C(=O)C12,CI,0
O=[N+]([O-])c1ccc(NN=C2CN3CCN(C2)c2ccccc23)c([N+](=O)[O-])c1,CI,0
COc1ccccc1C1=C2C(=O)N(C)C(c3ccccc3OC)=C2C(=O)N1C,CI,0
CC1=CC(=O)C(=C(C)NCCN(CCNC(C)=C2C(=O)C=C(C)OC2=O)CCNC(C)=C2C(=O)C=C(C)OC2=O)C(=O)O1,CI,0
O=C1CC2C(N3CCCC3)CCC(N1Cc1ccccc1)C2(O)O,CI,0
Cc1c(C(=O)C(=O)c2ccccc2)c(C)c(C(=O)C(=O)c2ccccc2)c(C)c1C(=O)C(=O)c1ccccc1,CI,0
C=C1OC(c2ccccc2NC)=NC12CCCCC2,CI,0
Nc1ncnc2oc(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)nc12,CI,0
N#Cc1nc(-c2ccc(-c3nc(C#N)c(N)o3)cc2)oc1N,CI,0
N#Cc1nc(CCc2nc(C#N)c(N)o2)oc1N,CI,0
N#Cc1nc(C=Cc2nc(C#N)c(N)o2)oc1N,CI,0
CC12CC(c3ccccc3)Nc3ccccc3N1C(c1ccccc1)=NO2,CI,0
CC1(C)CC2(C)ON=C(c3ccccc3)N2c2ccccc2N1,CI,0
O=C1CC2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1,CI,0
CC12CC(=O)Nc3ccccc3N1C(c1ccccc1)=NO2,CI,0
O=C1CN2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,CI,0
C(=NC12CC3CC(CC(C3)C1)C2)C1CCCCC1,CI,0
COc1ccc(OC)c2c1-c1nnnn1CCC2(C)C,CM,1
O=[N+]([O-])c1nccn1CCCNc1c2ccccc2[n+](O)c2ccccc12.[Cl-],CI,0
O=C1c2cn[nH]c2N=C(Nc2ccccc2)C1N=Cc1ccc([N+](=O)[O-])cc1,CI,0
CC1(C)CC(=O)C(=CNC(=S)NC2CCCCC2)C(=O)C1,CI,0
Cc1nn(C)c2c1C(=O)N(C)CC(=O)N2C,CI,0
COCOC1C=CCCCCc2oc(cc2C)C1,CI,0
COCOC1C=CCCCC#CC(C)C(=O)CC1,CI,0
Cc1cn(C2CC(ON3C(=O)c4ccccc4C3=O)C(CO)O2)c(=O)[nH]c1=O,CM,1
CC(=O)OCC1OC(n2c(=S)[nH]c(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC1C(=O)C23OCC1(C)C1(O)CCC(C)C21CC3=O,CI,0
CC(=O)N=C1N(C)C(=Cc2ccc3c(c2)OCO3)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(=O)N=C1N(C)C(=Cc2ccco2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC1(C)CC(=O)C(=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(=O)C1,CI,0
CCOC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)c1ccccc1,CI,0
CC1(C)CC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)C1,CI,0
CN(NC(=O)C(=Cc1c(O)ccc2ccccc12)NC(=O)c1ccccc1)c1cnnc(O)c1Cl,CI,0
CN(NC(=O)C(=Cc1cc(Cl)cc(Cl)c1O)NC(=O)c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl,CI,0
CN(NC(=O)C(=Cc1ccco1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl,CI,0
COc1ccc(CCNC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1OC,CI,0
COc1c(C(CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2,CI,0
CCCCc1ccc2[n+](c1)C(C(=O)OCC)=PC2,CI,0
CSC1=NC(=O)CCN1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
NC(=O)c1cc(-c2ccc(-n3ccnc3)cc2)nnc1O,CI,0
O=C1CSc2ccnc(=O)n21,CI,0
O=c1ccc(-c2ccc(-n3ccnc3)cc2)nn1CCO,CI,0
C=CCNC(=O)NC1=CSC2=NC(=O)C3(NN12)c1ccccc1-c1ccccc13,CI,0
O=C1N=C2SC=C(NC(=S)Nc3ccccc3)N2NC12c1ccccc1-c1ccccc12,CI,0
O=C(CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12)NC(=S)Nc1ccccc1,CI,0
CC(C)(C)C1=NC(=S)SC2=NC(=O)C3(NN21)c1ccccc1-c1ccccc13,CI,0
O=C1N=C2SC(=S)NC(=S)N2NC12c1ccccc1-c1ccccc12,CI,0
CSC1NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0
O=C(O)C(SC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12)SC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0
O=C1NC(SC(SC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)=C(SC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)SC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)=NNC12c1ccccc1-c1ccccc12,CI,0
O=C1CSC2=NCC3(NN12)c1ccccc1-c1ccccc13,CI,0
O=C1N=C(SSC2=NC(=O)C3(NN2)c2ccccc2-c2ccccc23)NNC12c1ccccc1-c1ccccc12,CI,0
O=C1NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0
N=C1NNC2(C(=N)N1)c1ccccc1-c1ccccc12,CI,0
S=C1N=C(Cl)C2(NN1)c1ccccc1-c1ccccc12,CI,0
S=C1NNC2(C(=S)N1)c1ccccc1-c1ccccc12,CI,0
N=C1NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0
O=C1NC(=S)NNC12c1ccccc1-c1ccccc12,CI,0
O=C1C=CC(=NN=C(c2ccccc2)c2ccccc2)O1,CI,0
Cc1ccc(C(=O)C=C(O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1,CI,0
COC(=O)C(=CC(=O)c1ccc(Br)cc1)NN=C(c1ccccc1)c1ccccc1,CI,0
COc1ccc(NC(=O)C(O)=CC(=O)c2ccccc2)cc1,CI,0
O=C(Nc1ccccn1)C(=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1,CI,0
CC(C)(O)C1OC2CCC3(C)C(O)(CCC4Cc5c([nH]c6ccccc56)C43C)C2=CC1=O,CI,0
CC1=CC2OC3CC(O)C(C)(C2(C)CC1=O)C31CO1,CI,0
CC(C)=CC1CC(C)C2(CCC3(C)CC4C5C(=CCC32)C(=O)OC5CC4(C)O)O1,CI,0
CC(C)=CCCC(C)=CCOC(C)(C)C1=CCC(C)CC1.CC(C)=CCCC(C)=CCOC1CC(C)CCC1=C(C)C,CI,0
COc1ccc(C2Oc3c(cccc3-c3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(=O)C2O)cc1O,CI,0
C=C(C)C(CC=C(C)C)CC12CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O,CI,0
Cc1ccc(S(=O)(=O)n2ccn3c(=O)cc(C)nc23)cc1,CI,0
O=c1c2c(nc3[nH]ccn13)CCC2,CI,0
CSc1nc(C)c2c(n1)SCC2,CI,0
Cc1c(CCN2CCOCC2)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N,CI,0
Cc1c2c(n3c(nc4ccccc43)c1C#N)SCC2,CI,0
Cc1c(CCN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N,CI,0
Cc1c(CCCl)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2c(nc3ccccc32)c1C#N,CI,0
CCOC(=O)C(=Cn1c(=O)sc2ccccc21)C(=O)c1ccccc1,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S,CI,0
CC(=O)NC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC(=O)C=c1[nH]c(=CC=Cc2ccccc2)c(=O)n1C=C1C(=O)Oc2ccccc2C1=O,CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)[OH+]C(=O)c2cccc[n+]21.[Cl-],CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)[OH+]C(=O)C2CCCCN21.[Cl-],CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2c[nH]cn2)C(=O)[OH+]1.[Cl-],CI,0
CCCC[N+](CCCC)(CCCC)CCCC.Oc1nc(O)c2c([nH+]1)SC(=C1Sc3[nH+]c(O)nc(O)c3S1)S2,CI,0
CC1=C(C)SC(=C2Sc3[nH+]c(O)nc(O)c3S2)S1.CCCC[N+](CCCC)(CCCC)CCCC,CI,0
O=S(=O)(c1ccccc1)C1(CCC2OCCO2)C=CC2(CC1)OCCO2,CI,0
COC12C=CC(C=C1C#N)CC2.COC12C=CC(CC1)CC2=O,CI,0
CC(=O)OC1CC2C(=O)C(=O)C1(C)C2(C)C,CI,0
Cn1c(=O)oc2cc(C(=O)CSC(=S)N3CCCCCC3)ccc21,CI,0
Fc1nc(Sc2ncnc3[nH]cnc23)nc(-c2c3ccccc3c3sc4ccccc4n23)n1,CI,0
O=C(c1cccc(C(=O)c2ccc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)c1)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O,CI,0
COC1=NC(NC2OCC(O)C(O)C2O)=C(NC(C)=O)CN1C,CI,0
CCOC(=O)Cn1c(C)nc2nn(Cc3ccccc3)cc2c1=O,CI,0
CCOC(=O)Cc1nc(=O)c2cn(Cc3ccccc3)nc2[nH]1,CI,0
CC(=O)OCC1OC(SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)c2ccccc2)C1=N,CI,0
Cc1cc(CO)c(O)c(C(=O)CC2CC(=O)NC(=O)C2)c1,CI,0
Cc1ccc(N2C(=O)C=C(C3=C(O)C(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1,CI,0
Fc1nc(-c2c3ccccc3c3sc4ccccc4n23)nc(N2CCOCCOCCOCCOCC2)n1,CI,0
COC(=O)C1(Cc2cccc(Cl)c2)CCCCCCN1C(=O)c1ccccc1,CI,0
C=C1C(O)CCC2(C)C3OC(C)(C)OC3C3=C(C)C(=O)CC4(OC(C)(C)OC4C12)C3(C)C,CI,0
CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1ncc(CC(=O)Nc2ccccc2C)s1,CI,0
CN(NC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl,CI,0
CN(NC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)C1=C(Cl)C(=O)[N+](c2ccccc2)=CC1,CI,0
CC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C,CI,0
CC(=O)C(=CNC(=S)c1cccnc1)C(=O)Nc1ccccc1C,CI,0
CC(=O)NC1=NC(=O)C(=Cc2ccc(C=C3C(=O)N=C(NC(C)=O)N3C)cc2)N1C,CI,0
CC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)Nc1ccccc1C,CI,0
O=C1Oc2ccccc2C(=O)C1=CN1C(=O)CNC1=S,CI,0
CC(=Cc1ccccc1)C=C1NC(=S)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O,CI,0
CC1(C)CC(=O)C(=CC2CCNC2=S)C(=O)N1,CM,1
COC(=O)c1cc(C(=O)OC)c(CC(=NNC(N)=S)C(=O)Nc2c(C)cccc2C)nc1CC(=Nc1c(C)cccc1C)NNC(N)=S,CI,0
Br.Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)Nc1ccccc1,CI,0
CCOc1ccccc1-c1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0
CC1=C(C(=O)NC2CCCCC2)CC(C(=O)NC2CCCCC2)=C(C)N1,CI,0
Br.CCc1cccc(CC)c1Nc1nc(-c2ccccc2-c2ccccc2)cs1,CI,0
CC1=C(C(=O)Nc2cccc3c2C(=O)NC3=O)CC(C(=O)Nc2cccc3c2C(=O)NC3=O)=C(C)N1,CI,0
CC1=C(C(=O)NNC(=O)C[n+]2ccccc2)CC(C(=O)NNC(=O)C[n+]2ccccc2)=C(C)N1.[Cl-],CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CM,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CM,1
Cc1cn(C2CSC(CO)CO2)c(=O)[nH]c1=O,CI,0
CC(=O)N1C(Nc2cnc3ccccc3c2)CCN1c1ccccc1,CI,0
CC(=O)N1C(Nc2cccc3nc(C)ccc23)CCN1c1ccccc1,CI,0
COc1ccc(NC2CC(C)N(C(=O)c3ccccc3)O2)cc1,CI,0
O=C(c1ccccc1)N1CCC(Nc2nccs2)O1,CI,0
CC(=O)N1C(c2[nH]c3ccccc3c2Cc2ccccc2)CCN1c1ccccc1,CI,0
CC(=O)N1C(c2[nH]c3ccccc3c2-c2ccccc2)CCN1c1ccccc1,CI,0
CC(=O)N1C(Nc2nccs2)CCN1c1ccccc1,CI,0
CC(=O)N1C(Nc2ccccn2)CCN1c1ccccc1,CI,0
CC(=O)N1C(OCc2ccccc2)CCN1c1ccccc1,CI,0
CCCCC1(N=[N+]=[N-])C(=O)c2cccc3c2N(CCC3)C1=O,CI,0
[N-]=[N+]=NC1(c2ccccc2)C(=O)c2cccc3c4ccccc4n(c23)C1=O,CI,0
Cc1ccc2c(n1)NC(=O)C(Cc1ccccc1)(N=[N+]=[N-])C2=O,CI,0
Oc1nc2ccccc2c2oc3ccccc3c12,CI,0
O=c1c2c3ccccc3[nH]c2c2cccc3c2n1CCC3,CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)[OH+]C(=O)C2CCCN21.[Cl-],CI,0
C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(c2c[nH]c3ccccc23)C(=O)[OH+]1.[Cl-],CI,0
COc1ccc([C+]2SC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.[O-][Cl+3]([O-])([O-])O,CI,0
c1ccc(C2(c3ccccc3)SC(=C3SC(c4ccccc4)(c4ccccc4)c4ccccc43)c3ccccc32)cc1,CI,0
CC1=NN(c2ccccc2)C(=O)C1=C1SC(c2ccccc2)(c2ccccc2)c2ccccc21,CI,0
CCOC(=O)N(c1ccccc1)c1cc(=O)n2ccccc2n1,CI,0
CC1CSc2nc3[nH]c(=S)[nH]c3c(=O)n2C1,CI,0
O=c1c2nn[nH]c2nc2n1CC(c1ccccc1)S2,CI,0
CCOC(OCC)N1C(=O)C2(C(OCC)OCC)CC3C(OC(=O)N3N)c3cccc1c32,CI,0
Oc1ccc(Br)cc1C=Nc1c(NC2CCCCC2)oc2ccc(Br)cc12,CI,0
CCn1c2ccccc2c2ccc(C3C(C(=O)OC)=C(C)NC(C)=C3C(=O)OC)cc21,CI,0
COc1ccc(-c2nc(Nc3ccccc3)sc2Cc2sc(Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1,CI,0
COc1ccc2c3c1OC1C(OC)(OC)CC4(C=C2)CN(C)CCC314,CI,0
O=c1nc2n(cc1C=CBr)C1CC(O)C(CO2)O1,CI,0
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)S(=O)(=O)CC3,CI,0
CCOC(=O)c1c[nH]c2cc3c(cc2c1=O)CCS3,CI,0
CCOC(=O)c1cn(CC)c2ccc3c(c2c1=O)S(=O)(=O)C=C3,CI,0
O=P(O)(CN1CCN(CP(=O)(O)c2ccccc2)CCN(CP(=O)(O)c2ccccc2)CC1)c1ccccc1,CI,0
Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)C=Cc1ccc2c(c1)OCO2,CI,0
O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,CI,0
O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3ccccc3Cc3ccccc31)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,CI,0
COCOC1C=CCCCCC(=O)C(C)C#CC1,CI,0
CCN1CC2(C)CCC(OCc3ccccc3)C34C5CC6CCC(O)(C(CC23)C14)C5C6OCc1ccccc1,CI,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2,CI,0
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(C=Cc1ccccc1)SC(=N)N2,CM,1
COc1ccc(CSc2ccccc2Cn2cccc2)cc1OC,CI,0
O=S(Cc1ccccc1)c1ccccc1Cn1cccc1,CI,0
Cc1ccc(SC(=O)N2C(=S)N=C(NC3CCCCC3)C23CCCCC3)cc1,CI,0
COc1ccc(OC)c2c1C=CC(C1(C)SCCS1)C2C(C)=O,CI,0
CCCCOCOc1ccccc1P1(=O)COc2ccccc2OC1,CI,0
CC1(O)C(=O)OC2CC(C3(O)CCC4C5CC6OC67C(O)C=CC(=O)C7(C)C5CCC43C)C1(C)C2,CI,0
CCCC(=O)N1CCN(c2ccc3c(c2)OC(C)O3)CC1.Cl,CI,0
Cl.O=C1c2ccccc2Sc2ccccc2N1CCN1CCN(c2ccc(F)cc2)CC1,CI,0
Cl.O=C1c2ccccc2Sc2ccccc2N1CCCN1CCN(c2ccc(F)cc2)CC1,CI,0
Cl.O=C1c2ccccc2Sc2ccccc2N1CCCCN1CCN(c2ccc(F)cc2)CC1,CI,0
Cl.O=C1c2ccccc2Sc2ccccc2N1CCCCCN1CCN(c2ccc(F)cc2)CC1,CI,0
Cl.O=C1c2ccccc2Sc2ccccc2N1CCCCCCN1CCN(c2ccc(F)cc2)CC1,CI,0
CC1(C)C2CCC1C(=O)C1(C=CC(=O)CC1)C2,CI,0
CC1(C)C2CCC(=O)C1C(OCc1ccccc1)C2,CI,0
CC(=O)OC1CC2CCC1(C)C2(C)C.CC(=O)OC1CC2CCC1(C)C2(C)C,CI,0
CC1(C)C2C=CC1(C)C1(CC2)OCCO1,CI,0
O=C(CCNC(=O)OCc1ccccc1)OCCCNC(=O)OCc1ccccc1,CI,0
O=C1OC2C=CCC1C2,CI,0
O=C1C=CC2CCC1C2,CI,0
Cc1ccc(SC2C(=O)C3CC(OCc4ccccc4)C2(C)C3(C)C)cc1,CI,0
Br.C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21.[Br-],CA,1
C[n+]1c(-c2ccc(C=NNC(=S)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.[Br-],CI,0
C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.[Br-],CM,1
C[n+]1c(-c2ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.Cl.[Cl-],CM,1
C[n+]1c(-c2ccc(C=NNc3n[nH]c(=S)n3NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.[Br-],CM,1
C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1,CI,0
C[n+]1c(-c2ccc(C=NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.[Br-],CI,0
Cn1c(-c2ccc(-c3cc(-c4cccs4)c(-c4cccs4)n3C)cc2)cc(-c2cccs2)c1-c1cccs1,CI,0
O=C(C=C(C(=O)c1cccs1)c1cccs1)c1ccc(C(=O)C=C(C(=O)c2cccs2)c2cccs2)cc1,CI,0
O=C(C=Cc1cccs1)c1ccc(C(=O)C=Cc2cccs2)cc1,CI,0
c1csc(-c2cc(-c3cccs3)c(-c3cccs3)s2)c1,CI,0
c1csc(-c2cc(-c3ccsc3)c(-c3ccsc3)s2)c1,CI,0
c1csc(-c2cc(-c3ccsc3)c(-c3cccs3)s2)c1,CI,0
Cn1c(-c2cccs2)cc(-c2ccsc2)c1-c1ccsc1,CI,0
Cn1c(-c2cccs2)cc(-c2ccsc2)c1-c1cccs1,CI,0
O=C(CC(C(=O)c1cccs1)c1cccs1)c1ccccc1Cl,CI,0
c1csc(-c2cc(-c3cccs3)c(-c3ccsc3)s2)c1,CI,0
O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccsc1,CI,0
O=C(CC(C(=O)c1ccsc1)c1ccsc1)c1ccsc1,CI,0
O=C(C=Cc1ccsc1)c1ccsc1,CI,0
O=C(CC(C(=O)c1ccsc1)c1cccs1)c1ccsc1,CI,0
O=C(C=Cc1cccs1)c1ccsc1,CI,0
O=C(CC(C(=O)c1cccs1)c1cccs1)c1ccsc1,CI,0
O=C(C=Cc1cccs1)c1ccc(Cl)s1,CI,0
Brc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2Cc2ccccc2)cc1,CI,0
O=C(CC(C(=O)c1ccc(F)cc1)c1ccsc1)c1cccs1,CI,0
COc1ccc(C(CC(=O)c2cccs2)C(=O)c2ccc3c(c2)OCO3)cc1,CI,0
COc1ccc(C(CC(=O)c2cccs2)C(=O)c2cccs2)cc1,CI,0
COc1ccc(C(CC(=O)c2ccccc2)C(=O)c2ccc3c(c2)OCO3)cc1,CI,0
O=C(C(=CC(=O)c1cccs1)c1ccsc1)c1ccc(Br)cc1,CI,0
O=C1OC(c2ccccc2)NC1=Cc1ccc2c(c1)OCO2,CI,0
O=C(NC1CCCCC1)C(=Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1,CI,0
O=C(NNc1cnnc(O)c1Cl)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0
Cc1ccc(C=C2NC(=S)SC2=O)cc1,CI,0
O=[N+]([O-])c1ccc(C=c2sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3c2=Cc2ccc([N+](=O)[O-])cc2)cc1.[Br-],CI,0
O=C1NC(=O)C(=Cc2ccncc2)N1,CI,0
O=C1C(=Cc2ccc3c(c2)OCO3)Sc2scc(-c3ccc(O)c(O)c3)[n+]21.[ClH2+],CI,0
O=C1Oc2ccccc2C(=O)C1=CNC(=S)NCCc1ccccc1,CI,0
O=C1C(=CNC(=S)c2ccccc2)C(=O)c2ccccc21,CI,0
O=C1Nc2ccccc2C(=O)C1=CNC(=S)NCc1ccccc1,CI,0
O=C1Nc2ccccc2C(=O)C1=CNC(=S)NCCc1ccccc1,CI,0
CC(=O)NC1=NC(=Cc2cc([N+](=O)[O-])ccc2O)CN1C,CI,0
CC1=CC(=O)C(=CNC(=S)c2ccccc2)C(=O)O1,CI,0
NC(=S)NNC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1,CI,0
Cc1ccc(NC2=CC(=O)C(NO)c3ccccc32)cc1,CI,0
Cc1cccc(C)c1NC(=NC(=O)c1ccccc1C(=O)N=C(NNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Nc1c(C)cccc1C)NNc1c([N+](=O)[O-])cccc1[N+](=O)[O-],CI,0
CC1=C(C(=O)NNC(=O)Cc2ccccc2)CC(C(=O)NNC(=O)Cc2ccccc2)=C(C)N1,CI,0
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3)c(C)nc2C)cc1,CI,0
I.O=CSC(=Nc1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)cc1,CI,0
COC(=O)c1cc(C(=O)OC)c(CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)Nc2cccc(C(F)(F)F)c2)nc1CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1,CI,0
Cc1[nH]c(=N)sc1C(=O)Nc1nnc[nH]1,CI,0
Cc1nc(C)c(C(=O)NNC(=O)c2ccccc2)cc1C(=O)NNC(=O)c1ccccc1,CI,0
O=C(NC(=S)Nc1ncc([N+](=O)[O-])s1)c1ccccc1C(=O)NC(=S)Nc1ncc([N+](=O)[O-])s1,CM,1
Cc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2)cc1C(=O)NNC(=O)Cc1ccccc1,CI,0
Cc1nc(C)c(C(=O)NNC(=O)C[n+]2ccccc2)cc1C(=O)NNC(=O)C[n+]1ccccc1.[Cl-],CI,0
O=C1C=C(Nc2cccnc2)c2ccccc2C1=NO,CM,1
CC1=C(C(=O)NCCc2ccccc2)CC(C(=O)NCCc2ccccc2)=C(C)N1,CI,0
CCOC(=O)Cc1csc(NN=C2C(=O)Nc3ccccc32)n1,CI,0
CC1=CC(=O)C(=CN2CCNC2=S)C(=O)O1,CI,0
O=C1Nc2ccccc2C(=O)C1=CNC(=S)NC1CCCCC1,CI,0
O=C1Oc2ccccc2C(=O)C1=CNC(=S)c1ccncc1,CI,0
CC1=CC(=O)C(=CN2C(=O)CNC2=S)C(=O)O1,CI,0
NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)Nc3ccccc3C2=O)cc1,CI,0
CC1=CC(=O)C(=CNC(=S)NCCc2ccccc2)C(=O)O1,CI,0
CC1=CC(=O)C(=CN2C(=O)C(=Cc3cccnc3)NC2=S)C(=O)O1,CI,0
O=C1Oc2ccccc2C(=O)C1=CNC(=S)NCc1ccccc1,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)CC(C)(C)CC1=O,CI,0
O=c1sc(Nc2ccc3ccccc3c2Cl)nc2ccccc12,CI,0
COC(=O)C1(Cc2ccc3ccccc3c2)CCCCCCN1C(=O)c1ccccc1,CI,0
CC1(C)OCC(COCOP2(=O)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)O1,CI,0
Oc1ccccc1C1[N+]2=Cc3ccccc3[OH+][Zr]23456([OH+]c2ccccc2C=[N+]13)[OH+]c1ccccc1C=[N+]4C(c1ccccc1O)[N+]5=Cc1ccccc1[OH+]6,CI,0
C=C1CC(C#N)(C#N)C2C1CC1CCCC12.C=C1CC(C#N)(C#N)C2CC3CCCC3C12,CI,0
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCOCCOCCOCCO3)c1,CI,0
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
CC1=CC(=O)C(=CNC(=S)c2ccncc2)C(=O)O1,CI,0
CC1=CC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)O1,CI,0
CC1(C)CC(=O)C(=CN2C(=O)CNC2=S)C(=O)C1,CI,0
Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)Oc2ccccc2C1=O,CI,0
CC1(C)CC(=O)C(=CNC(=O)c2ccncc2)C(=O)C1,CI,0
COc1cccc(CC2C(=O)N=C(NC(C)=O)N2C)c1OC(C)=O,CI,0
Cc1ccc(S(=O)(=O)NN=CC=NNS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
CC1(C)CC(=O)C(=CNC(=S)c2ccccc2)C(=O)C1,CI,0
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2,CI,0
Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(C=Cc3ccccc3)cc1)SC(=N)N2,CI,0
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccn1,CI,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccn1,CI,0
O=C(Cc1ccccc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CM,1
Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1,CI,0
CC1CCCCCC2CC(=O)CC2C(=O)CCC(=O)O1,CI,0
COc1ccc2c(c1OC)C(=O)N1C2=Cc2c(cc3c(c2OC)OCO3)CC1N(C)C,CI,0
COc1ccc2c(c1OC)C(=O)NC2=Cc1c(CCN(C)C)cc2c(c1OC)OCO2,CI,0
CC(=O)CC1CCC(=O)CCC(=O)OC(CC(C)=O)CCC(=O)CCC(=O)O1,CM,1
CC=C1CN2CCC34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)CC8(CC)CCCN9CCC67C98)=CC5=NC23CCC1C4C(=O)OC,CI,0
COc1ccc2c(c1O)-c1c(O)cccc1CCN(C)CC2,CI,0
c1ccc2c(c1)NC(C1OC3CCCN3C1C1Nc3ccccc3S1)S2,CI,0
N=C(N)C1CN(CCc2c[nH]cn2)C(=O)NC1=O,CI,0
COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2,CI,0
Cl.O=C1CCCCC1CN1CCOCC1,CI,0
Cl.O=C1CCCCC1CN(Cc1ccccc1)Cc1ccccc1,CI,0
Cl.O=C1CCCCCCCCCCC1CN1CCOCC1,CI,0
Cl.O=C1CCCCCCCCCCC1CN(Cc1ccccc1)Cc1ccccc1,CI,0
Nc1nc(O)c2ncn(C3COC(CO)O3)c2n1,CM,1
Oc1nc(S)nc2nc3c4cccnc4c4ccccc4c3nc12,CI,0
C=CCC12C=C(OC)C(O)C(OC)(C(c3cc(OC)c4c(c3)OCO4)C1C)C2OC(C)=O,CI,0
CC(=O)OC1=NN=C2COC(c3ccccc3OC(C)=O)=NN2C1,CI,0
CC(=O)N1C=Cc2c(c(C)c3c([nH]c4ccccc43)c2C)C1,CI,0
CCCCCCCC1c2cc3nc(cc3C)cc3[nH]c(cc4nc(cc([nH]2)C1(C)CC(=O)N(C)C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C,CI,0
CC1(C)OCC(C2OC(N3OC(CI)CC3c3ccccc3)C3OC(C)(C)OC23)O1,CI,0
O=C(O)c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1,CI,0
Cn1c2ccccc2c2ccc3c(c21)C(=O)c1ccc2c4ccccc4n(C)c2c1C3=O,CI,0
COc1ccc(N2C(=O)CC(c3c[nH]c4ncccc34)C2=O)cc1.Cl,CI,0
COc1ccc(N2C(=O)c3c4c(c5c([nH]c6ncccc65)c3C2=O)CCC(C(C)(C)C)C4)cc1,CM,1
COC(OC)C1(c2ccccc2)Oc2ccccc2C1=O,CI,0
Cc1ccc(S(=O)(=O)c2scc(-c3ccccc3)c2C)cc1,CI,0
Cc1c(C2CCSc3ccccc3N2)sc2ccccc12,CI,0
N=C(N)C1CN(CCc2c[nH]c3ccccc23)C(=O)NC1=O,CI,0
CN(C)CCN(C)P12(Oc3ccccc3O1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2,CM,1
O=C(O)C1SCCS1,CI,0
COc1ccc2cc(C(C)C(O)c3cc(F)c(F)c(F)c3F)ccc2c1,CI,0
C=CC1CCC[N+]1(CC(=O)OCC)Cc1ccccc1.[Br-],CI,0
CC1C(c2ccccc2)[OH+][B-]([FH+])(c2ccccc2)N1C,CI,0
CC(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0
COC(=O)C12CN(C)C(C(C)(C)C)N1C(=O)OC2c1ccccc1,CI,0
Cn1c2c(c3ccccc31)CC1c3c(c4ccccc4n3C)CC21,CI,0
CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1,CI,0
COc1ccc(C2SC(C)C(=O)N2c2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1,CI,0
CC1=NC(C)(C2CC3C=CC2C3=O)COC1=O,CI,0
OCC1C(O)C2OC3(CCCC3)OC2CN1OCC=Cc1ccccc1,CI,0
CC1(C)OC2OC(C3OCC4OC(n5ccc(=O)[nH]c5=O)C(O)C4N3O)C3OC(C)(C)OC3C2O1,CI,0
COC1C2OC(C)(C)OC2OC1C1OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2N1O,CI,0
Cc1cn(C(CO)OC(CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O,CI,0
Cn1c(=O)c2c(ncn2CCCCn2ccnc2[N+](=O)[O-])n(C)c1=O,CI,0
COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc1ccccc1OC.Cl,CI,0
CC(=O)Nc1cc2c(s1)CCC1CC(=O)NN=C21,CI,0
COC(=O)C12CSCN1C(=O)C(C(C)=O)=NN2C(=O)C(OC)(c1ccccc1)C(F)(F)F,CI,0
Sc1ncc2c(n1)C1c3ccccc3C2c2ccccc21,CI,0
Cc1ccc(S(=O)(=O)OC(c2ccc(Cl)cc2Cl)C2OC(=O)c3ccccc32)cc1,CI,0
CCOC(=O)c1ncn2c1[nH]c(=O)c1ccccc12,CI,0
CSc1sc(=S)sc1C(=O)N(C)c1ccccc1,CI,0
BrC1=CCC23CC=C(Br)C4CC2(COC3)CC1O4,CI,0
O=C1CCC(=O)N1Cc1ccccc1N=[N+]([O-])c1ccccc1CN1C(=O)CCC1=O,CI,0
CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)c2ccccc2)C2CCCCC21)C(O)c1ccccc1,CI,0
CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)c2ccccc2)C(c2ccccc2)C1c1ccccc1)C(O)c1ccccc1,CI,0
COC(=O)C1CCCC2C(CO)=C(C)C(=O)C12,CI,0
COC(=O)C1=C(C)C(=O)C2(CCCCCC2C(=O)OC)C1,CI,0
O=C1CC2(CCC3=C(O2)c2ccccc2NC(=O)C3)C(=O)c2ccccc2N1,CI,0
COc1ccc(C2CC(=O)NCCCNCCCCNCCCN2)cc1,CI,0
COc1ccc(C2CC(=O)NCCCCNCCCN2)cc1,CI,0
COc1ccc(C2CC(=O)N3CCCC3N2)cc1,CI,0
COc1ccc(C2CC(=O)NCCCCN2)cc1,CI,0
c1ccc(C2=NN3CN(N2)c2ccccc2OCCCOc2ccccc23)cc1,CI,0
CC=C(C)C(=O)OC1C(O)CC(c2ccc3c(c2O)C(=O)C2=C(O)C4(OC)C(=O)C(C(N)=O)=C(O)C(CC(=O)c5ccccc5O)C4CC2C3(C)OC)OC1C,CI,0
O=C1CC2(CC3CCCCCCCCCC(C3)C2)N1,CI,0
COC(=O)c1c(C(=O)OC)c2cc(C(=O)c3ccccc3)ccn2c1Cl,CI,0
CC1(C)OCC(C2CC23SCCCS3)O1,CI,0
COC(=O)C1(C)CCC2(C)CCC3(C)C4CCC5(COC(C)=O)C(C)C(=O)CCC5C4(C)CCC3(C)C2C1,CI,0
COC(=O)C1(C)CCC2(C)CCC3(C)C4CCC56COC(O)(CCC5C4(C)CCC3(C)C2C1)C6C,CI,0
COC(=O)c1onc(C2OC(C)(C)OC2C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC,CI,0
C[s+]1c2ccccc2c2ccccc21.O=S(O)(=[OH+])C(F)(F)F,CI,0
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCC(=O)NCCCn1ccnc1[N+](=O)[O-],CI,0
CN(C)CCSC(=Nc1ccccc1)N1C=COC=C1,CI,0
CN(C)CCSC(=Nc1ccccc1)N1CCCCC1,CI,0
CN(C)CCSC(=Nc1ccccc1)n1cccc1,CI,0
O=C(c1ccco1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1,CI,0
O=C(c1cccs1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1,CI,0
O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1,CI,0
O=C(c1ccco1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1,CI,0
O=C(c1cccs1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1,CI,0
O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1,CI,0
CN(C(=O)c1ccco1)C(=S)N1CCN(c2ccccn2)CC1,CI,0
CN(C(=O)c1cccs1)C(=S)N1CCN(c2ccccn2)CC1,CI,0
CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccn2)CC1,CI,0
O=C(c1ccco1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1,CI,0
O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1,CI,0
O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1,CI,0
O=C(c1ccco1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1,CI,0
O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1,CI,0
O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1,CI,0
CN(C(=O)c1ccco1)C(=S)N1CCN(c2ccccc2)CC1,CI,0
CN(C(=O)c1cccs1)C(=S)N1CCN(c2ccccc2)CC1,CI,0
CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccc2)CC1,CI,0
CN1CCN(C(=S)N(C(=O)c2ccco2)c2ccccc2)CC1,CI,0
CN1CCN(C(=S)N(C(=O)c2cccs2)c2ccccc2)CC1,CI,0
CN1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)CC1,CI,0
CN1CCN(C(=S)N(C(=O)c2ccco2)C2CCCCC2)CC1,CI,0
CN1CCN(C(=S)N(C(=O)c2cccs2)C2CCCCC2)CC1,CI,0
CN1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)C2CCCCC2)CC1,CI,0
CN1CCN(C(=S)N(C)C(=O)c2ccco2)CC1,CI,0
CN1CCN(C(=S)N(C)C(=O)c2cccs2)CC1,CI,0
CN1CCN(C(=S)N(C)C(=O)c2ccc(Cl)cc2)CC1,CI,0
CCOC(=O)c1c(NCc2ccccc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SCCCN2CCCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SCCN2CCOCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CCOC(=O)c1c(SCCN2CCCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(CCCCCCN2C(=O)C4C5CC6C7(C)CCCC(C)(C(=O)O)C7CCC6(C=C5C(C)C)C4C2=O)C(=O)C13.[NaH],CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2cccc(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)c2)C(=O)C13.[NaH],CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccccc2N2C(=O)C4C5CC6C7(C)CCCC(C)(C(=O)O)C7CCC6(C=C5C(C)C)C4C2=O)C(=O)C13.[NaH],CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)cc2)C(=O)C13.[NaH],CI,0
CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(Cc4ccc(N5C(=O)C6C7CC8C9(C)CCCC(C)(C(=O)O)C9CCC8(C=C7C(C)C)C6C5=O)cc4)cc2)C(=O)C13.[NaH],CI,0
CC1CC(=O)NC2CC1C2(C)C,CI,0
CC1(O)C(=NO)CC2CC1C2(C)C,CI,0
CC(=O)NC1(NC(C)=O)C2CC(C1Cc1ccccc1)C(C)(C)C2C,CI,0
CC1C2CC(C(C3C(=O)C4CC3C(C)(C)C4C)C2=O)C1(C)C,CI,0
CC1C2CC(CC(=O)N2)C1(C)C,CI,0
CC1(C)CC2(C)CC1CC2(O)c1ccccc1,CI,0
CC1=CCC(C(C)(C)NC(=O)c2ccccc2)CC1=NO,CI,0
CC1CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C,CI,0
CCOc1ncn(-c2ccc(NC(=S)NC3OC(CO)C(O)C(O)C3O)cc2)n1,CI,0
CCOc1ncn(-c2ccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)n1,CM,1
CCOc1ncn(-c2ccc(NC(=S)Nc3cccc(O)c3)cc2)n1,CI,0
CCOc1ncn(-c2ccc(NC(=S)Nc3ncccn3)cc2)n1,CI,0
CCOc1ncn(-c2ccc(NC(=S)Nc3cnccn3)cc2)n1,CM,1
Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCCCC1,CI,0
Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCOCC1.Cl,CI,0
Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCN(CCO)CC1,CI,0
Cc1cccc2c1Oc1ncccc1C2NC(=O)CN(C)C,CI,0
O=C(OCc1ccccc1)N1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1,CI,0
Cl.O=C1CCCCCCCCCCC1CN1CCCCC1,CI,0
Cl.O=C1CCCCC1CN1CCCC1,CI,0
O=C1c2c(O)cc(O)c(OC3OC(CO)C(O)C(O)C3O)c2OC(c2ccc(O)c(O)c2)C1O,CI,0
O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,CI,0
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(Sc3ccccc3C)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cl.NC(CSSCC(N)Cc1ccccc1)Cc1ccccc1,CI,0
O=S(=O)(O)c1cc(N=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CI,0
CC=Cc1cc(=O)c(C2OC(=O)c3cc(OC)cc(OC)c32)co1,CI,0
C1=[N+]2CCNCC[N+]3=Cc4ccccc4[OH+][Mn+3]23[OH+]c2ccccc21.CC(=O)[O-],CI,0
CC1CC(O)C2(O)C13CC(OC(=O)C3O)C(C)(O)C21COC1=O,CI,0
CC1C2CC3(C(C)C(=O)CC3(O)C13COC3=O)C(O)C(=O)O2,CI,0
COc1nc(OC)nc(Sc2ccc(Sc3ccc(Sc4nc(OC)nc(OC)n4)cc3)cc2)n1,CI,0
CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1,CI,0
CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)NCc1ccco1,CI,0
COc1ccc(NC(=O)C(C)Oc2ccc(OCC3CCCCC3)cc2)cc1,CI,0
On1c(-c2ccccc2)c(-c2c(-c3ccccc3)n(O)c3ccccc23)c2ccccc21,CI,0
COC1=NCc2ccccc2-c2ccccc21,CI,0
COC(=O)C1=C(C)N2CCOC2(C)C(C(=O)OC)C1c1ccc[nH]1,CI,0
CC1(C)OC(COP2OCCO2)C(COP2OCCO2)O1,CI,0
O=C1OC2(CC1C1(O)C3CC4CC(C3)CC1C4)C1CC3CC(C1)CC2C3,CI,0
CN(C)c1nc(Oc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1,CI,0
O=C1Cc2ccccc2CCc2ccsc21,CM,1
O=C(NC=C1C(=O)Oc2ccccc2C1=O)Nc1ccccc1,CI,0
O=C(NC=C1C(=O)Oc2ccccc2C1=O)NC1CCCCC1,CI,0
CC1=NC(=Cc2ccco2)C(=O)O1,CI,0
COC1=CCC=C(CC2NCCc3cc(OC)c(OC)cc32)C1,CI,0
CC1(Cl)CC2C(CC1Sc1nnnn1-c1ccccc1)C2(C)C,CI,0
CC1(S)CC2C(CC1Sc1ccccc1)C2(C)C,CI,0
CC1(O)CC2C(CC1SC1CC3C(CC1(C)O)C3(C)C)C2(C)C,CI,0
CC12CC3C(CC1SCC(=O)O2)C3(C)C,CI,0
CC1(O)CC2C(CC1SCc1ccccc1)C2(C)C,CI,0
CSC1(C)CC2C(CC1N1CCOCC1)C2(C)C,CI,0
CSC1(C)CC2C(CC1N1CCCCC1)C2(C)C,CI,0
O=c1c2c(c1=O)-c1ccccc1CN2,CI,0
CC(=NNC(=S)NNC(=S)N(C)c1ccccc1)c1ccccn1,CI,0
O=S([O-])(O)=[OH+].O[Ru+2]12345(O)(O)C6=C1C2=C3C4=C65,CI,0
Cc1ccc(S(=O)(=O)[O-])cc1.O[Ru+2]123(O)(O)(O)C4=C1CCC2=C3CC4,CI,0
c1ccc(SCCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CI,0
Cn1c2ccccc2c2ccc3c(c21)C(=O)C(c1ccccc1)=CC3=O,CI,0
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3ccccn3)c21,CI,0
CC(=O)OC1C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(=O)C=Cc2ccccc2)C1OC(=O)C=Cc1ccccc1,CI,0
COC(=O)C1=COC2OC3C(=Cc4ccc(O)c(OC)c4)C(=O)OC34C=CC1C24,CI,0
Cn1c(=O)c2nc(N3CCOCC3)cnc2n(C)c1=O,CI,0
Cn1c(=O)c2nc(N3CCCCC3)cnc2n(C)c1=O,CI,0
CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CC7CN(CCc8c6[nH]c6ccccc86)CC6CCCCC67)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32.COS(=O)(=O)O,CI,0
COC(=O)C1(C(=O)OC)C2=Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1c1ccoc1.Cl,CI,0
COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C1COC(C)(C)O1.Cl,CI,0
COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C(O)CO.Cl,CI,0
COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C1=CC(OC)OC1OC.Cl,CI,0
COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1c1ccoc1.Cl,CI,0
O=C(CCn1ccnc1[N+](=O)[O-])NCCCn1ccnc1[N+](=O)[O-],CI,0
Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1ncnc1[N+](=O)[O-],CI,0
Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1ccnc1[N+](=O)[O-],CI,0
N=c1ccn(C2CSC(CO)CO2)c(=O)[nH]1,CI,0
N=c1[nH]c2c3nc(Nc4ccccc4)sc3nc(=S)n2c2sc(Nc3ccccc3)nc12,CI,0
N=c1[nH]c2c3nc(Nc4ccccc4)sc3nc(=O)n2c2sc(Nc3ccccc3)nc12,CI,0
Nc1ncnc2c1ncn2C1C(=O)C(CO)C1CO,CI,0
CC12CCC(=O)N1c1cncnc1N2,CI,0
CC12CCC(=O)N1c1cnccc1N2,CI,0
COc1ccc2c(c1)CCC(OS(=O)(=O)CC13CCC(CC1=O)C3(C)C)C2=O,CI,0
COC(=O)CC1CCC(c2ccn(S(=O)(=O)c3ccccc3)c2)=NO1,CI,0
CSCCCNC(=O)C(CSC)NC(=O)c1csc(CCNC(=O)C(NSc2ccccc2[N+](=O)[O-])C(C)O)n1,CI,0
C1CCC(NC2CCCCC2)CC1.CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O,CI,0
CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C,CI,0
CC1(C)OCC(C(=N)OCc2ccccc2)O1,CI,0
C=C1OC2OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C2O1,CI,0
COC1OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C2OC(C)(C)OC12,CI,0
COC1OC(C)C(=NO)C2OC(C)(C)OC12,CI,0
Cc1cc2c(ccc[n+]2[O-])[n+]([O-])c1,CI,0
NCCCNc1ccc2c(c1)[n+]([O-])c1ccccc1[n+]2[O-],CI,0
COc1cc(COC(=O)N2CC=CC2C(=O)O)c([N+](=O)[O-])cc1OC,CI,0
COc1cc(COC(=O)NC(Cc2cccs2)C(=O)O)c([N+](=O)[O-])cc1OC,CI,0
COc1cc(COC(=O)N2CCC2C(=O)O)c([N+](=O)[O-])cc1OC,CI,0
COc1cc(COC(=O)N2CSCC2C(=O)O)c([N+](=O)[O-])cc1OC,CI,0
COc1cc(COC(=O)N2CCCCC2C(=O)O)c([N+](=O)[O-])cc1OC,CI,0
COc1cc2c(cc1OC)C1=Cc3cc(OC)c(OC)cc3C(C)N1C=C2,CI,0
C1=CC2c3ccc4cnccc4c3NCC2C1,CI,0
O=C(OCc1ccccc1)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0
CC(C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0
CCOC(=O)c1csc(-c2nc(CCNC(=O)c3ccccc3)sc2Cl)n1,CI,0
COC(=O)C(NC(=O)c1ccccc1)c1ccco1,CI,0
COc1ccccc1-n1c(N)c2c(C)c(-c3ccccc3)[nH]c2nc1=S,CI,0
C=CC(C)(C)c1nc[nH]c1C=C1NC(=O)C(C(C)C)NC1=O,CI,0
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1,CI,0
COc1ccc(C(=Cn2ccnc2)C(=O)c2ccc(OC)c(OC)c2)cc1,CI,0
O=C1OC2C=CC1C1(CCOC1=O)C2,CI,0
Cc1ccc(SC23C=CC(CC24CCOC4=O)OC3=O)cc1,CI,0
N#CC(=C(S)Nc1ccccc1)c1nc2ccccc2[nH]1,CI,0
C=CCC(N(C)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1,CI,0
CC12C(=CC(=O)CC1SCCS(=O)(=O)O)C(C#N)=C(N)N2c1ccc(Cl)c(Cl)c1.[NaH],CM,1
Cc1c2n(c(=O)[nH]c1=O)C1OC(CO)C(N=[N+]=[NH2+])C1O2,CI,0
CC12N=NNC1C(=O)NC2=O,CI,0
CCCCCn1cnc2c1S(=O)(=O)N(C)C(NC(=O)c1ccccc1)=N2,CI,0
O=S1(=O)c2ncn(COCCO)c2N=C2NC(c3ccccc3)=[O+][Ag-][NH+]21,CI,0
CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(N)=C(NC(=O)C=CC=CC=CC(C)C(O)CC1=O)C3=O,CI,0
OC12CCC(=NOCc3ccccc3)CC1c1ccccc12,CI,0
OC12c3ccccc3C3CCC4(OCCO4)C3C1c1ccccc12,CI,0
CC1(c2cccc3c2C2(O)C=CC4(CCC32)OCCO4)OCCO1,CM,1
Cc1ccc(C)c2c1C1CCCCC3(OCCCO3)C21O,CI,0
OC12c3ccccc3C1CCCCCCCCCC21OCCO1,CI,0
CC1(c2cccc(C3CCC4(C=CC3=O)OCCO4)c2)OCCO1,CI,0
COc1cccc2c1C(=O)C1(O)CCCCC21,CI,0
COC(OC)c1cccc2c1C(=O)CCC1(CC2)OCCCCO1,CI,0
CC1(c2cccc(C3CC4(CCC3=O)OCCCCO4)c2)OCCO1,CI,0
CC(=O)OC1c2ccccc2CCCCCCC12OCCO2,CI,0
O=C1c2ccccc2CCCCCCCCCCC12OCCCO2,CI,0
OC12c3ccccc3C1(N1CCOCC1)CCCCC21OCCCO1,CM,1
COc1cc(CCCC(O)COc2cccc3c2C2(O)CCCCCC32)cc(OC)c1.O=C(O)C(=O)O,CI,0
COc1cccc2c1C1OC(=O)NC1CCCCC2,CI,0
OC12c3ccccc3C1CCCC2N1CCOCC1,CI,0
OC12c3ccccc3C1CCCCC2N1CCOCC1,CI,0
OC12c3ccccc3C1CCCCC2N1CCCC1,CI,0
OC12CCC3(O)c4ccccc4C3C1c1ccccc12,CI,0
OC12CCC3(OC4CCCCO4)c4ccccc4C3C1c1ccccc12,CI,0
CC(=O)OC12CCCC1C1(O)C(O)CCCC21,CI,0
O=C1CCCCCCC2=C1C(Sc1ccccc1)CC2,CI,0
O=C1CCCCCC=C2CCC(Sc3ccccc3)C12,CI,0
CC(=O)OC12CCCCCCC1C1(O)C(O)CCCC21,CI,0
O=C1C2=C(CCCCC2)C2CCCCC12O,CI,0
O=C(O)OC12CCCCCC1C(=O)C1CCCCC12,CI,0
CC(=O)OC12CCCCCC1C1(O)C(O)CCCCC21,CI,0
C=CC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2,CI,0
C=C(C)C1CC=C(C)CCCC2(CCC3=C(CC(C(=C)C)CC=C(C)CCC3)O2)C(=O)C1,CI,0
OCC1CC(F)C(n2cnc3c(NOCc4ccccc4)ncnc32)O1,CI,0
NC(CCCC(N)P(=O)(O)c1ccccc1)P(=O)(O)c1ccccc1,CI,0
O=C(CC(CC(=O)Oc1c(Br)cc(Br)cc1C(=O)O)C(=O)Oc1c(Br)cc(Br)cc1C(=O)O)Oc1c(Br)cc(Br)cc1C(=O)O,CI,0
Nc1ccccc1C(=O)C(Br)C(Br)c1ccc2c(c1)OCO2,CI,0
Cc1cc2oc(=O)[nH]c(=S)c2c(C)c1C,CI,0
CC1(C)CC(=O)C2=C(C1)SC(=C1SC3=C(S1)C(=O)CC(C)(C)C3)S2,CI,0
CC(=O)C1=NN(c2ccccc2)C2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12,CI,0
c1ccc(C2=NN(c3ccccc3)C3(S2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1,CI,0
CN1C(=O)N(C)C(N2CCCC2)c2c1nc1ccccn1c2=O,CI,0
CCN1C(=O)N(C)C(O)c2c1nc1ccccn1c2=O,CI,0
CCN(CC)C(=O)Cc1c(C(=O)N(CC)CC)c(=O)nc2sccn12,CI,0
CCN(CC)C(=O)c1c(N2CCOCC2)cc(N(CC)CC)oc1=O,CI,0
COc1nc(NC2OCC(O)C(O)C2O)c(NC2OCC(O)C(O)C2O)c(=O)n1C,CI,0
CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1,CI,0
C=C1CCC2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1,CI,0
C=CC1(C)CCC(C(C)C(=O)C(C=C(C)C)OC(C)=O)C12C(=O)Oc1ccccc1C2=O,CI,0
CC12CC(=O)OC(Cc3ccccc31)O2,CI,0
Cc1nc(O)nc2c1C(NCCCN(C)C)c1cc(Cl)ccc1N2,CI,0
Cc1ccc(C=NNC2c3cc(Cl)ccc3Nc3nc(O)nc(C)c32)cc1,CI,0
Cc1nc2nnnn2c2c1C(=O)Nc1ccccc1N2,CI,0
Cc1nc2nnc(C)n2c2c1C(=O)Nc1ccccc1N2,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-n6c(C)nc7cc8ccccc8cc76)n5)ccc4C3CCC21C,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7cc8ccccc8cc7c7n6CCS7)n5)ccc4C3CCC21C,CI,0
Cn1nc(-c2cccc(-c3nn(C)c(=NCCO)s3)n2)sc1=NCCO,CI,0
CN1N=C2NCCNC3=NN(C)C(=NCCN=C1S2)S3,CI,0
CCNC1=Nc2ccccc2-n2c(nn3nc4ccccc4c23)N1CC,CM,1
CCOC12SC(Nc3ccc(C)cc3)=NN1C(=S)N(C)N=C2C,CI,0
COc1ccc(N=C([N-]n2c(=O)c(C)nn(C)c2=S)N(c2ccc(OC)cc2)c2n[n+]3c(=O)c(C)nn(C)c3s2)cc1,CI,0
O=C(NC(CO)C(=O)NC1c2ccsc2C(=O)C1O)OCc1ccccc1,CI,0
CC12N=NN(c3ccc([N+](=O)[O-])cc3)C1(O)c1ccccc1C2=O,CI,0
CC(=O)Oc1ccc(Nn2c3ccccc3c3ccccc32)c(C)c1,CI,0
Cc1ccc(S(Cc2ccccc2)=NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0
CC(=O)Nc1ccc(Sc2nnc(NC(C)=O)s2)cc1,CI,0
CC1SC(=O)SC1C,CI,0
CC(=O)Nc1ccc(S(=O)(=O)c2nnc(NC(C)=O)s2)cc1,CI,0
NC(=O)c1ccc(S(=O)(=NS(=O)(=O)c2ccccc2)c2ccc(C(N)=O)cc2)cc1,CI,0
N=c1c2nc(Nc3ccccc3)sc2[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1,CI,0
O=C1OCc2nc3c(c(-c4ccccc4C(F)(F)F)c21)C(=O)OC3,CI,0
CC1CSC(=S)N1C(=O)N1C(=S)SCC1C,CI,0
O=C(O)c1ccc(Nc2nc3nn(Cc4ccccc4)cc3c(=O)s2)cc1,CM,1
COC1C(OC(C)=O)C(NC(=O)C(Cl)(Cl)Cl)C(I)C(N2C(=O)c3ccccc3C2=O)C1OC,CI,0
CC1(C)OC2C3OC(C(Cl)(Cl)Cl)=NC3C(I)C(N3C(=O)c4ccccc4C3=O)C2O1,CI,0
COC(=O)C1C(C(=O)OC)C12C=Cc1ccccc1C=C2,CI,0
c1ccc2c(c1)nc(NC1CCCC1)c1nc(C3CCCC3)[nH]c12,CI,0
COC1ON=C(c2c(C)cc(C)cc2C)C1C1(c2ccccc2)ON=C(c2c(C)cc(C)cc2C)O1,CI,0
Cc1ccc(S(=O)(=O)C2=c3ncccc3=C3C(=O)c4ccccc4C(=O)C32)cc1,CI,0
Cn1c2ccccc2n2c3nc4ccccc4nc3c(C#N)c12,CI,0
Cc1ccc(S(=O)(=O)c2c(N)n(CCN(C)C)c3nc4ccccc4nc23)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2-n2cccn2)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2-n2ccnc2)cc1,CI,0
COc1ccc(C=C2N=C(c3ccccc3)N(Nc3nnc(NN4C(=O)C(=Cc5ccc(OC)cc5)N=C4c4ccccc4)c4ccccc34)C2=O)cc1,CI,0
CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2OC(=O)C12OC1CCC2=O,CI,0
C=C1CC2OC2(C(=O)OC2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)C1=O,CI,0
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)C34OC3CCC4=O)CCC12,CI,0
C=C(CC(NC(=O)c1ccc(C(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O,CI,0
O=C1c2ccccc2C(=O)C2C3c4ccccc4C(c4ccccc43)C12,CI,0
COCOc1ccc(Cn2c(=O)n(C)c(=O)c3c2ncn3C)cc1[N+](=O)[O-],CI,0
CC(C)=O.FC(F)(F)C1=[O+][Rh+2]234[O+]=C(C(F)(F)F)[OH+][Rh+2]2([O+]=C(C(F)(F)F)[OH+]3)([O+]=C(C(F)(F)F)[OH+]4)[OH+]1,CI,0
CC(O)=[OH+].CO[Rh-4]12(OC)(OC)[OH+]C(C)=[O+][Rh-4]13([OH+]C(C)=O)([O+]=C(C)[OH+]2)[n+]1ccccc1-c1cccc[n+]13,CM,1
O=S(=O)(O)c1cc(NN=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(NN=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CA,1
COC(=O)CCCN(C)c1n[nH]c(=N)[nH]1,CI,0
CC1(C)OC2C(CO)OC(N=C(NC#N)Oc3ccccc3)C2O1,CI,0
NC(=O)NC1=NC(Cc2ccccc2)C(=O)N1Cc1ccccc1,CI,0
COC(=O)CC1N=C(NC#N)N(CCc2c[nH]c3ccccc23)C1=O,CI,0
N#CNC(=NCCc1c[nH]c2ccccc12)Oc1ccccc1,CI,0
N#CNC(=NCCc1c[nH]c2ccccc12)NCc1ccccc1,CI,0
N#CNC1=NC(Cc2ccccc2)C(=O)N1CCc1c[nH]c2ccccc12,CI,0
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)Nc1c(Cl)cccc1Cl,CI,0
Cn1nc(-c2ccccc2)c(N=[N+]=[N-])cc1=O,CI,0
[N-]=[N+]=NC1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O,CI,0
[N-]=[N+]=NC1(N=[N+]=[N-])C(=O)NN=C(c2ccccc2)C1=O,CI,0
[N-]=[N+]=Nc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c2ccccc12,CI,0
[N-]=[N+]=NC1(c2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O,CI,0
c1ccc([Sn](Sc2ccccn2)(c2ccccc2)c2ccccc2)cc1,CI,0
Nc1ccccc1S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CSc1ncccc1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2nc(N(C)C)nc(N(C)C)n2)n1,CI,0
COc1ccc(CC(N)C(=O)N2CC(CO)CC(n3cnc4c(N(C)C)ncnc43)C2)cc1,CI,0
COc1ccc(CC(N)C(=O)N2CC(CO)CC(n3ccc(=O)[nH]c3=O)C2)cc1,CI,0
CCCCCC1=C(c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2cc(S(=O)(=O)N(C)C)c(OC)cc2S1(=O)=O,CI,0
COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)n3ccnc3)c2)cc1S(=O)(=O)n1ccnc1,CI,0
CC(C)CCCC(C)C1CCC2C3CCC4CC(CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CA,1
CN1Cc2cc3c(cc2-c2ccccc21)OCO3,CI,0
COC1C=CC23c4cc5c(cc4C(=O)OC2CN(C)C3C1)OCO5,CI,0
CC1=CC2(C=C(C(=O)O)C34CCCC(C)(C)C3CC2OC4)OC1=O,CI,0
COc1c2c(c3ccccc3c1O)C1C=CC2C1,CI,0
CC1(C)Cc2c(C#N)c(N)c3c(c2CO1)C(=O)OC3=O,CI,0
C=C1C(=O)OC2CC(C)C3CC(=O)C(C)=C3CC12,CI,0
CC(c1ccc2c(c1)CCC1C2CC2OC23CC=CC(=O)C13C)C1CC2(C)OC2(C)C(O)O1,CI,0
COCC1C2OC(C)(C)OC2C(=O)N1C(=O)c1ccc(OC)cc1,CI,0
OC1CCSc2ccccc21,CI,0
CC12CCC3=C(CSC4=C3CSc3ccccc34)C1=CCCC2=O,CI,0
Clc1ccc([N+]2=C3C=Cc4ccccc4[O+]3[Ni-2]23[N+](c2ccc(Cl)cc2)=C2C=Cc4ccccc4[O+]23)cc1,CI,0
Clc1ccc([N+]2=C3C=Cc4ccccc4[O+]3[Co-2]23[N+](c2ccc(Cl)cc2)=C2C=Cc4ccccc4[O+]23)cc1,CI,0
O=C(c1cccnc1)[N+]1=[C-]c2ccc[o+]2[Co-2]12[N+](C(=O)c1cccnc1)=[C-]c1ccc[o+]12,CI,0
O=C(c1cccnc1)[N+]1=[C-]c2ccc[o+]2[Ni-2]12[N+](C(=O)c1cccnc1)=[C-]c1ccc[o+]12,CI,0
CC=CC#CC#CC(O)C(C=CCCCO)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,CI,0
CCOC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O,CI,0
COc1c(C(C)C)cc2c3c1OC(=O)C31CCCC(C)(C)C1CC2,CI,0
[O-]c1on[n+]2c1c(Nc1ccc(Cl)cc1)nc1ccccc12,CI,0
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CA,1
NC(=O)C1(c2ccccc2)Nc2ccccc2S1,CI,0
COC(=O)C1=C(SC)SC2(C(=O)OC)C3C=C(C)C4C(N13)C42C(=O)OC,CI,0
CCOC(=O)C1=C(C(=O)OCC)C2c3ccccc3C=CN2C(C(=O)OCC)=C(SC)S1,CI,0
COC(=O)C1=C(C(=O)OC)C2C(C)=CC(C)=CN2C(C#N)=C(SC)S1,CI,0
C=CCn1c(=S)sc2c(C(=O)OCC)c3c(C)cc(C)cn3c2c1=O,CI,0
Cc1nc2ccccc2c(=O)n1NC(=S)NC1CCCCC1,CI,0
O=P(CCOc1ccccc1OCCP(=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2,CI,0
C(=Cc1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12)C=C1c2ccccc2-c2c(-c3ccccc3)cc(-c3ccccc3)[o+]c21.[O-][Cl+3]([O-])([O-])O,CI,0
COC(=O)C1C2CCC3C45CC(c6ccoc6)OC4OC(O2)C13CCC5C,CI,0
C=C1CCC23CC(CCC2C12CC(c1ccoc1)OC2=O)OC3=O,CI,0
Cc1ccc(S(=O)(=O)C2=c3nc4ccccc4cc3=C3C(=O)c4ccccc4C(=O)C32)cc1,CI,0
Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n3c2[nH]c2ccccc23)cc1,CI,0
Cc1ccc(S(=O)(=O)C2c3nc4ccccc4cc3-c3nc4ccccc4nc32)cc1,CI,0
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCOCC2)cc1,CI,0
Cc1cc2ncn(-c3nc4ccccc4nc3C(C#N)S(C)(=O)=O)c2cc1C,CI,0
N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1,CI,0
N#CC(NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12,CI,0
Cc1cc(O)nc(NNC(C#N)c2c(O)ccc3ccccc23)n1,CI,0
Cc1cc(O)nc(NNC(C#N)c2ccco2)n1,CI,0
N#CC(NNC(=O)Cc1ccccc1)c1c(O)ccc2ccccc12,CI,0
Nc1nc(N)c2ncn(CCOC(c3ccccc3)P(=O)(O)O)c2n1.[NaH],CI,0
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)C)C(C)C,CI,0
COc1ccc(C(NC(=O)CC(C(=O)N(C)C(C)C(=O)O)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)c2ccc(OC)cc2)cc1,CI,0
COP(=O)(OC)C(=NNc1ccc([N+](=O)[O-])cc1)NCc1ccccc1,CI,0
CC(C)OP(=O)(OC(C)C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(P(=O)(OC(C)C)OC(C)C)=NN1c1ccc([N+](=O)[O-])cc1,CI,0
CCCC[Sn](CCCC)(ON(C)C(=O)c1ccc(Br)cc1)ON(C)C(=O)c1ccc(Br)cc1,CI,0
C1=Nc2ccccc2Cn2nncc21,CI,0
O=C(O)c1cc2c3nn(-c4ccccc4)c(=O)c-3c[nH]c2s1,CI,0
O=c1n(Cc2ccccc2)c2ccccc2n1CC1CS1,CI,0
Cn1c(=O)n(C2(C)C[Se]C2)c2ccccc21,CI,0
O=c1n(CC2CS2)c2ccccc2n1CC1CS1,CI,0
O=c1n(CCCCn2c(=O)n(CC3CS3)c3ccccc32)c2ccccc2n1CC1CS1,CI,0
CC1(n2nc(-c3ccccc3)n(-c3ccccc3)c2=O)CSC1,CI,0
Cn1c(=O)n(C2(C)CSC2)c2ccccc21,CI,0
O=c1sc2ccccc2n1CC1CS1,CI,0
O=c1n(CC2CO2)c2ccccc2n1CC1CS1,CI,0
Cn1c(=O)n(CC2CS2)c2ccccc21,CI,0
N=c1ccn(CC2OCC(CO)O2)c(=O)[nH]1,CI,0
CCN(CC)CCCNc1ncc(C)c2c1c1ccc3c(O)cccc3c1n2C,CI,0
CCC1C(=O)OCc2c1cc1n(c2=O)CCC12OCCO2,CI,0
N#Cc1c2ccccc2cn1-c1ccc(F)cc1,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c7sc8ccccc8n67)n5)ccc4C3CCC21C,CI,0
C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c7n6CCS7)n5)ccc4C3CCC21C,CI,0
Oc1ncnc2c1nnn2CCCCCCCCCCCCn1nnc2c(O)ncnc21,CI,0
Oc1ncnc2c1nnn2CCCn1nnc2c(O)ncnc21,CI,0
Clc1ncnc2c1ncn2CCCCCCCCCCCCn1cnc2c(Cl)ncnc21,CI,0
Nc1c(Cl)ncnc1NCCCNc1ncnc(Cl)c1N,CI,0
COc1ccc(C=Nn2cnc3c(c2=O)SC(=C2SC(=S)N(c4ccc(C)cc4)C2=O)N3c2ccccc2)cc1,CI,0
C=CCN1C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)Sc2c1ncn(C)c2=O,CI,0
Cc1ccc(N2C(=O)C(=C3Sc4c(nc(C)n(C)c4=O)N3c3ccccc3)SC2=S)cc1,CI,0
Cc1nc2c(sc(=NN)n2-c2ccccc2)c(=O)n1C,CI,0
Cc1nc(O)c2sc(=NN)n(-c3ccccc3)c2n1,CI,0
O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CI,0
CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1cc3ccccc3nc1S2,CI,0
C=CCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S,CI,0
Cc1ccc(C(=O)C=C2Nc3c(c(=O)oc4ccccc34)N=C2NC23CC4CC(CC(C4)C2)C3)cc1,CI,0
O=c1oc2ccccc2c2nc(O)c(NC34CC5CC(CC(C5)C3)C4)nc12,CI,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)C(C#N)=Cc3ccc(O)c(O)c3)CC2)CC1,CI,0
COc1cc(Cc2ccc3c(c2C#N)N(C)c2ccccc2S3)cc(OC)c1OC,CI,0
O=C1c2ccccc2Sc2ccccc2N1C(=O)C1CC1,CM,1
Cn1c(=N)c2cnn(-c3ccccc3)c2n(C)c1=O,CI,0
c1ccc(C2OCCO2)c(OCCOc2cc(OCCOc3ccccc3C3OCCO3)c(OCCOc3ccccc3C3OCCO3)cc2OCCOc2ccccc2C2OCCO2)c1,CI,0
O=C(OCc1ccccc1C1CSCSC1)c1cc(C(=O)OCc2ccccc2C2CSCSC2)c(C(=O)OCc2ccccc2C2CSCSC2)cc1C(=O)OCc1ccccc1C1CSCSC1,CI,0
O=Cc1ccccc1COC(=O)c1cc(C(=O)OCc2ccccc2C=O)c(C(=O)OCc2ccccc2C=O)cc1C(=O)OCc1ccccc1C=O,CI,0
CCCc1c(C(=O)OCC)[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)o2)c1C(=O)OCC,CI,0
CCCc1c(C(=O)OCC)[nH]c(C(=O)CCC(=O)c2[nH]c(C(=O)OCC)c(CCC)c2C(=O)OCC)c1C(=O)OCC,CI,0
O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1c2ccc(n2)c(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c2ccc([nH]2)c(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c2ccc(n2)c(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c2ccc1[nH]2,CI,0
Cn1c(=O)c2c(nc(C[N+]3([O-])CCOCC3)n2C)n(C)c1=O,CI,0
Oc1cc(CN2CCOCCOCCOCCOCC2)c(O)cc1CN1CCOCCOCCOCCOCC1,CI,0
O=c1nc2n(c3nsnc13)CCO2,CI,0
O=C(NN1C(=O)C(Cl)C1c1c(O)ccc2ccccc12)c1ccccc1O,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2c(O)ccc3ccccc23)n1,CI,0
Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccco2)n1,CI,0
COc1cc2c(cc1OC)C(C1(O)CCCCC1)NCC2,CI,0
COc1c2c(cc3c(CCc4ccccc4)cc(=O)oc13)CCC(C)(C)O2,CI,0
CCCCCCCSc1nc2c(C(=O)OCC)ncn2c2ccccc12,CI,0
CC(C)(C)[Si](OC1CC(n2cnc3c(N)ncnc32)OC1CO)(c1ccccc1)c1ccccc1,CI,0
Cc1cn(C2CC(OC3CCCCO3)C(CO)O2)c(=O)[nH]c1=O,CI,0
Nc1ncnc2c1ncn2C1CC(OCc2ccccc2[N+](=O)[O-])C(CO)O1,CI,0
Nc1ncnc2c1ncn2C1CC(OC2CCCCO2)C(CO)O1,CI,0
COc1ccc(-c2nnc3c4ccccc4sn23)cc1,CI,0
Nc1cc(-c2ccccc2)nn1-c1nsc2ccccc12,CI,0
Cc1cc(C)n(-c2nsc3ccccc23)n1,CI,0
CCn1cnnc1-c1nsc2ccccc12,CI,0
COc1ccc(Nc2nnc(-c3nsc4ccccc34)s2)cc1,CI,0
c1ccc(Nc2nnc(-c3nsc4ccccc34)o2)cc1,CI,0
CCNC(=S)NNC(=O)c1nsc2ccccc12,CI,0
O=C(CC(C(=O)c1ccsc1)c1cccs1)c1cccs1,CI,0
CN1C2CCC1C(=Cc1cccc3c1OCO3)C(=O)C2=Cc1cccc2c1OCO2,CI,0
CCOC(=O)C12CCC(=O)C=C1C(C)C(=O)CC2,CI,0
CC1=CC(=O)OC2(C1)CC1CCC2CN1C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CI,0
CN(C(=O)c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O,CI,0
CC1CC23C4CCCN2CC2OC2C13C1CC4OC1=O,CI,0
CCC1C[N+]23CCc4c([nH]c5ccccc45)C2CC1CC3.Cc1ccc(S(=O)(=O)[OH2+])cc1,CI,0
O=C(O)C12CC3CC(C1)C2C=C3P(=O)(O)O,CI,0
CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12C,CI,0
O=S(Cc1ccccn1)c1nc2ccccc2nc1-c1ccccc1,CI,0
c1ccc(-c2nc3ccccc3nc2SCc2cccnc2)cc1,CI,0
O=S(Cc1cnc2ccccc2c1)c1nc2ccccc2nc1-c1cccs1,CI,0
O=S(Cc1ccccc1)c1nc2ccccc2nc1-c1cccs1,CI,0
c1cncc(CSc2nc3ccccc3nc2-c2cccs2)c1,CI,0
COC(=O)c1ccc(OCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1,CI,0
Cc1ccc2oc(=O)c(-c3ccccc3)nc2c1,CI,0
O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3,CI,0
CON=C(C(=O)Nc1c[n+](CC(=O)[O-])cs1)c1csc(=N)[nH]1,CI,0
COC(=O)c1c2cccccc-2c(Cc2c3cccccc-3c(C(=O)OC)c2O)c1O,CI,0
ON=C(Nc1ccc(-c2ccc(NC(=NO)C(=NO)c3ccccc3)cc2)cc1)C(=NO)c1ccccc1,CI,0
CC(C)(C)C1=CC(=C2C(=O)C(=O)c3ccccc3C2=O)C=C(C(C)(C)C)C1=O,CI,0
O=[N+]([O-])[OH+][Au-3]12[P-](c3ccccc3)(c3ccccc3)[Au-3]1([OH+][N+](=O)[O-])[P-]2(c1ccccc1)c1ccccc1,CI,0
C1=C2CCC(Sc3ccccc3)C2C2(CCCCC1)OCCO2,CI,0
CC1=CC2C(C=C1)S(=O)(=O)N1CC21c1ccccc1,CI,0
CC(=O)N(C(C)=O)C1=C2c3ccccc3N(S(=O)(=O)c3ccccc3)C2n2c(=O)n(-c3ccccc3)c(=O)n2C1,CI,0
O=C1CC(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc1ccccc1,CI,0
COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)N(C)S(=O)(=O)NC3=N)cc1,CI,0
NC1=c2[nH]c(-c3cccs3)nc2=NS(=O)(O)=N1,CI,0
NC1=c2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2=NS(=O)(O)=N1,CI,0
Br.C(COc1cccnc1)=NNC1=NCCN1,CI,0
O=C(O)c1ccc(C2=Cc3cc(Cl)ccc3OC2)cc1,CI,0
CN(CCO)c1nc(=O)c2c(n1C1OC(CO)C(O)C(O)C1O)CCCC2,CI,0
CN(CCO)c1nc(O)c2c(n1)CCNC2,CI,0
CN(CCO)c1nc(O)c2c(n1)CCC2,CI,0
COC(=O)N1CCc2c(O)nc(N(C)CCO)nc2C1,CI,0
c1cnc2c(c1)-n1cccc1C1(CCSC1)NN2,CI,0
Br.c1cnc2c(c1)-n1cccc1C1(CCSCC1)NN2,CI,0
CC(C)N1CCC2(CC1)NNc1ncccc1-n1cccc12.Cl,CI,0
CCCc1nc(SCCCCCCCCSc2nc(CCC)c(-c3ccc(F)cc3)[nH]2)[nH]c1-c1ccc(F)cc1.CS(=O)(=O)O,CI,0
Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(C(CCC3CCCC3)=NN)cc12,CI,0
C=C(C)C1Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1,CI,0
COC(=O)C1C2C=CC(C2)N1C(C)c1ccccc1,CI,0
O=C(O)CN1CCSc2ccccc2CN(CC(=O)O)CCSc2ccccc2C1,CI,0
COc1ccc(N2C(=O)C(N3C(=O)C=CC3=O)C2C=O)cc1,CI,0
CCOC(=O)C(OCC1CC=CCC1)Sc1ccccc1,CI,0
O=C1Cc2nc(CO)c(CO)c(CO)c2CO1,CI,0
CC1(C)C2CCC3(C2)CS(=O)(=O)N2OC231,CI,0
COc1ccc2c(c1)c1cc(OC)ccc1n2CCCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCn4c5ccc(OC)cc5c5cc(OC)ccc54)cc3)c3ccccc23)cc1,CI,0
CC1=NN(c2ccccc2)C(=O)C1([Au-][PH](c1ccccc1)(c1ccccc1)c1ccccc1)[Au-][PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0
c1ccc(Cn2cc[n+]3c2[Au-][n+]2ccn(Cc4ccccc4)c2[Au-][n+]2ccn(Cc4ccccc4)c2[Au-]3)cc1,CI,0
CCC1(CC)C(=O)[NH+]([Au-][PH](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[NH+]([Au-][PH](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O,CI,0
c1ccc([PH]([Au-][n+]2cc[n-]c2)(c2ccccc2)c2ccccc2)cc1,CI,0
OC1COc2c3ccccc3nn2C1,CI,0
O=C1Sc2cc3c(cc2C(=O)N2CCCC12)OCO3,CI,0
O=C1C=C(N2CCCC2)C=C(N2CCCC2)C1,CI,0
O=C(c1ccccc1)C1N=NN(Cc2ccccc2[N+](=O)[O-])C1C(=O)c1ccccc1,CI,0
O=C(c1ccccc1)c1nnn(Cc2cccc(Cl)c2)c1C(=O)c1ccccc1,CI,0
COC1OC(OC)C2C(c3c(C)cc(C)cc3C)=NOC12,CI,0
O=C(c1ccccc1)c1nnn(Cc2ccccc2Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1,CI,0
CCC(=O)NCC1(c2c[nH]c3ccccc23)SCCS1,CI,0
O=C1NCC2=C1CCC1c3ccccc3CCN21,CI,0
CN=C1CC2c3cc(OC)c(OC)cc3CCN2C2=C1C(=O)CC(C)(C)C2.Cl,CI,0
Cc1ccc(-c2cc(=S)n(-c3ccccc3)c3[nH]c(=S)n(-c4ccccc4)c(=N)c23)cc1,CI,0
O=C1c2ccccc2N(O)C1(c1ccccc1)C1CCCC=C1N1CCOCC1,CI,0
O=C1c2ccccc2N2OC3(N4CCCC4)CCCCC3C12c1ccccc1,CI,0
O=C1c2ccccc2N2OC3(N4CCCC4)CCCC3C12c1ccccc1,CI,0
O=C1c2ccccc2N2OC3(N4CCOCC4)CCCC3C12c1ccccc1,CI,0
COCC12CC(CC1=O)C1C2ON2c3ccccc3C(=O)C12c1ccccc1,CI,0
O=C1C2CCC(C2)C12CC1(c3ccccc3)C(=O)c3ccccc3N1O2,CI,0
O=C1c2ccccc2N2OC3C4CCC(C4)C3C12c1ccccc1,CI,0
O=C1c2ccccc2N2Oc3ccccc3C12c1ccccc1,CI,0
On1c(-c2ccccc2)c(-c2ccccc2N2CCCC2)c2ccccc21,CI,0
CSc1ccc(NC(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C(=O)O)cc1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1c(O)ccc2ccccc12,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccco1,CI,0
CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=CC=Cc1ccccc1,CI,0
COc1ccc(CN2CCCC=CCC(Cl)(Cl)C2=O)cc1,CI,0
CN1OC(CO)CC12C1CC3CC(C1)CC2C3,CI,0
COc1cc2c(cc1OC)C1C(COC(=O)Nc3ccccc3)CN1CC2,CI,0
C=C1CC2C(=O)N(c3ccccc3)C(=O)C2CC1n1[nH]c(=O)n(Cc2ccccc2)c1=O,CI,0
CC(C)OP(=O)(OC(C)C)C(=Nc1ccc(NC(=NNc2ccc([N+](=O)[O-])cc2)P(=O)(OC(C)C)OC(C)C)cc1)NNc1ccc([N+](=O)[O-])cc1,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)Nc1ccncc1,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1,CI,0
CC(C)OP(=O)(OC(C)C)C(=NNC(=O)c1ccccc1)NNc1ccc([N+](=O)[O-])cc1,CI,0
CCC1NC(N=Nc2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O,CI,0
COP(=O)(OC)C(=O)N1N(c2ccc([N+](=O)[O-])cc2)C(=O)C(C)NC1(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC)OC,CI,0
CC(C)OP(=O)(OC(C)C)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=N)s1,CI,0
CC(C)OP(=O)(OC(C)C)c1nc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)n1,CI,0
CC(C1CCC2C3CCC4CC5(CCC4(C)C3CCC21C)c1ccccc1C(=O)N5C)N(C)C,CI,0
CC(C1=CC=C2C3CCC4CC(N(C)C)CCC4(C)C3CCC21C)N(C)C=O,CI,0
CC(C1CCC2C3CCC4C(=O)C(NC(=O)c5ccccc5)=CCC4(C)C3CCC21C)N(C)C,CI,0
CC1(C)CN=CC(C)(OCc2ccccc2)C(=O)NC(C)(C)CN=CC(C)(OCc2ccccc2)C(=O)N1,CI,0
COC1(C)C=NCC(C)(C)NC(=O)C(C)(OC)C=NCC(C)(C)NC1=O,CI,0
C=CCN1C(=C(C#N)c2nc3ccccc3[nH]2)Sc2c(O)ncnc21,CI,0
Cc1ccc(N2C(=O)C(=C3Sc4c(O)nc(C)nc4N3c3ccccc3)SC2=S)cc1,CI,0
C=CCN1C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)Sc2c(O)ncnc21,CI,0
C=CCN1C(N)=C(C(N)=O)SC1=C1SC(=S)N(c2ccc(C)cc2)C1=O,CI,0
CC1=C(C2=C(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O,CI,0
COc1ccc2ccccc2c1CN1CCOCCOCCN(Cc2c(OC)ccc3ccccc23)CCOCCOCC1,CI,0
O=S(=O)(c1ccccc1)n1cnc(CCc2ccccc2)n1,CI,0
Cl.Cn1ncnc1CCc1ccccc1,CI,0
Cl.Cn1cnc(CCc2ccccc2)n1,CI,0
COc1ccc(-n2nc3c(=N)[nH]nc-3nc2-c2ccccc2)cc1,CI,0
N#Cc1nn(-c2ccc(Cl)cc2)c(=N)c2c(N)n3nc(-c4ccccc4)cc3nc12,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O,CI,0
COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(COC(=O)CCCCCCCCCCNC(=O)c2ccc([N+](=O)[O-])c3[nH]c4cc(Br)ccc4c(=O)c23)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O,CI,0
CCC(COC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21,CI,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O,CI,0
COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(OC(=O)CCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O,CI,0
CI.O=C(CCC1CCCCN1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O,CI,0
O=C1CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,CI,0
CC1Cn2c(=O)[nH]c3cccc(c32)NC1=O,CI,0
CC1(C)OC2OC3COP(=O)(N(CCCl)CCCl)OC3C2O1,CI,0
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCN(O)CCCSC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,CI,0
COc1ccc(C23c4ccc(OC)cc4CC2(c2ccc([N+](=O)[O-])cc2)Cc2cc(OC)ccc23)cc1,CI,0
CCCCCCCCCCC(OC(C)=O)C1CCC(C2CCC(C(O)CC#CC=CCCCCCCCC3(Sc4ccccc4)CC(C)OC3=O)O2)O1,CI,0
C1OC1C1CCC(C2CCC(C3CO3)O2)O1,CI,0
Cc1cc(C)c(S(=O)(O)=[OH+])c(C)c1.N[S+]1Cc2nc3ccccc3n2C1c1c(F)cccc1F,CM,1
O=C(OCC=C1C=C(OC(=O)c2ccccc2)C(=NN(C(=O)c2ccccc2)c2ccccc2)O1)c1ccccc1,CI,0
C[N+](C)(Cc1ccc(NC(=O)CCCC(=O)ON2C(=O)CCC2=O)cc1)c1ccccc1.[Br-],CI,0
CCOC(=O)C1C(C(=O)OCC)C2c3ncccc3-c3ccccc3N2C1C(=O)OCC,CI,0
CN1CCOC(C(NC(=O)c2ccccc2)c2ccccc2)C1=O,CI,0
O=c1n(C2CCCCC2)c(=C(Cl)Cl)c(=C(Cl)Cl)n1C1CCCCC1,CI,0
CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSCC1C(=O)NC(C)(C)C,CA,1
CC(C)=CCCC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1,CI,0
CC[n+]1c(C=Cc2cc(C(=O)OC)n3c2sc2ccccc23)sc2ccccc21.[I-],CI,0
O=C(c1ccccc1)c1cc(Cl)ccc1NCn1nnc2ccccc21,CI,0
CC(=O)c1cccc(NCn2nnc3ccccc32)c1,CI,0
c1ccc2c(c1)nnn2CNc1ccc(N2CCCCC2)cc1,CI,0
c1ccc2c(c1)nnn2CNc1ccc(N2CCOCC2)cc1,CI,0
CC1(C)OCN(c2ccc(N3CCOCC3)cc2)Cn2c1nc1ccccc12,CI,0
O=S(=O)([O-])c1cc([N+]2=Nc3cc(S(=O)(=O)[O-])c4cccc5c4c3N[Cu-2]2[OH+]S5(=O)=O)ccc1C=Cc1ccc([N+]2=Nc3cc(S(=O)(=O)[O-])c4cccc5c4c3N[Cu-2]2[OH+]S5(=O)=O)cc1S(=O)(=O)[O-].[Na+],CM,1
O=S(=O)([O-])c1ccc2c3c(ccc2c1)[OH+][Cu-][N+](c1ccc(C=Cc2ccc([N+]4=Nc5c(ccc6cc(S(=O)(=O)[O-])ccc56)[OH+][Cu-]4)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)=N3.[Na+],CM,1
O=C([O-])c1n[nH]c2c1N=[N+](c1ccc(C=Cc3ccc([N+]4=Nc5c(C(=O)[O-])n[nH]c5[OH+][Cu-]4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)[Cu-][OH+]2.[Na+],CI,0
O=C(O)c1n[nH]c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)n[nH]c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0
O=c1c2c(nc3n1CCC3)sc1c(O)c(Br)ccc12,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2=Cc2ccco2)cc1,CI,0
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2C=Cc2ccccc2)cc1,CM,1
[N-]=[N+]=NC1(c2ccccc2)C(=O)C(Cl)=C(c2ccccc2)N(c2ccccc2)C1=O,CI,0
N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1CC(=O)NC12CC3CC(CC(C3)C1)C2,CI,0
Cn1c(NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21,CI,0
Cc1nc2nn(C)cc2c(=O)n1N=Cc1ccccc1,CI,0
Cc1c2ccccc2c(=O)n2c(-c3ccccn3)cccc12,CI,0
CC(=O)OCC1=C(CCC#N)N2C(=O)C(NC(=O)Cc3cccs3)C2S(=O)C1,CI,0
CCC12N=C(N(C)C)CC1(O)ON=C2C,CI,0
[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COCCOCCOCCOCCOC2,CI,0
c1cnc2c(c1)-n1cccc1C1(CCOCC1)NN2,CI,0
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,CI,0
CCc1c(Cc2[nH]c(Cc3[nH]c(C=O)c(C)c3CC)c(CC)c2CC)[nH]c(C=O)c1C,CI,0
COC(=O)C(c1ccc(OC)cc1)N1C(=O)C(NC(=O)c2ccccc2)C1C(C)O,CI,0
Cc1c(N)c(C#N)c2n(C)c3ncccc3n2c1=O,CI,0
CC(=O)OCC1OC(N2C(=O)C(Oc3ccccc3)C2C=Cc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CC(=O)OCC1OC(N2C(=O)C(Oc3ccccc3)C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
CCOC(=O)C(Cc1c[nH]c2cc([N+](=O)[O-])ccc12)NS(=O)(=O)c1ccc2ccccc2c1,CI,0
Cc1ccc(C(=O)N2CCCCC2)cc1N=NN(C)C,CI,0
Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1N=NN(C)C,CI,0
Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1N=NN(C)C,CI,0
Cc1ccc(C(=O)NC2CCCCC2)cc1N=NN(C)C,CI,0
CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)CCCc1ccccc1-2,CI,0
CC1C=C(CCCCCCCCCCCCC(O)C2CCC(C3CCC(C(O)CCCCCCCCCCCCC4=CC(C)OC4=O)O3)O2)C(=O)O1,CI,0
Cc1nc(N2N=C(c3ccc(Cl)cc3)CCC2=O)sc1[N+](=O)[O-],CI,0
CCOC(=O)C(C#N)=CC=C1C=CNC2=NCCN12,CI,0
CC1CCC2C(C3OC(=O)CC4CCC(C)C43)C(=O)OC(C3=CCCC3)C12,CI,0
O=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)s1,CI,0
O=P1(OCC(F)(F)C(F)F)Oc2ccccc2O1,CI,0
Cc1cn2c(=O)c3ccccc3nc2s1,CI,0
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1NC(=S)NC(=O)c1ccccc1,CI,0
Cc1nc2cc(Nc3ccccc3C(=O)O)ccc2s1,CI,0
CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC1C(O)OC(CO)C(O)C1O,CI,0
c1ccc2[nH]c(CNc3ccc(C4C[Se]N=N4)cc3)nc2c1,CI,0
O=C1CSC(c2ccccc2)C1C(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1,CI,0
O=[N+]([O-])c1ccc(N2N=C(c3ccc(NCc4nc5ccccc5[nH]4)cc3)CC2c2ccco2)cc1,CI,0
O=[N+]([O-])c1ccc(C2CC(c3ccc(NCc4nc5ccccc5[nH]4)cc3)=NO2)cc1,CI,0
N#Cc1c(-c2ccco2)cc(-c2ccc(NCc3nc4ccccc4[nH]3)cc2)nc1N,CI,0
N#Cc1c(-c2ccc(NCc3nc4ccccc4[nH]3)cc2)cc(-c2ccco2)nc1O,CI,0
N=C1Nc2ccccc2Sc2ccccc21,CI,0
CC(=O)C1=C(C)NC2C=CC=CN12,CI,0
Nc1c2ccccc2nc2nccnc12,CI,0
c1ccc(-c2[nH]c(-c3ccccc3)c(-c3cnccn3)c2-c2cnccn2)cc1,CI,0
N=C1NC2=c3ccccc3=C(c3cnccn3)C2(c2cnccn2)c2ccccc21,CI,0
CCOC(=O)C1=C(O)C(=O)c2ccoc2C1=O,CI,0
CCOC(=O)C1=C(O)C(=O)c2ccsc2C1=O,CI,0
CC1CCC(=O)NCCCCC(=O)N1,CI,0
FC(F)(F)P1C2C=CC(CC2)C1(F)F,CI,0
CC(=O)OC1CCCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,CI,0
CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)c2ccccc2)C1=O,CI,0
O=C1N=CN=C2C=CC(Cl)=C(I)C12,CI,0
C1CCC(N=C2N(C3CCCCC3)C(=NC3CCCCC3)N2C2CCCCC2)CC1,CI,0
CCOC(=O)N1C=NC23C(c4ccccc4)C(c4ccccc4)C12C(=O)N(C)C(=O)N3C,CI,0
CC(CCC1SC1(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,CI,0
CC(=CCCC=C(C)CCC=C(C)CCC1SC1(C)C)CCC=C(C)CCC1OC1(C)C,CI,0
Cc1c(C=NN(C)C)oc2c1cc(O)c1ncccc12,CI,0
C=CCN1COc2c(cc3c4c(cccc24)C(=O)O3)C1,CI,0
N=c1[nH]c2c(O)nc(N)nc2n1Cc1ccccc1,CI,0
CSc1nc(O)c2nc(C)c(=O)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2n1,CI,0
CC(=O)OCC1OC(n2c(=O)[nH]c(=O)c3[nH]nnc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0
Cc1nc2c(=O)[nH]c(=O)n(C)c2nc1O.c1ccncc1,CI,0
N=c1ccn(C2CC(CO)C(CO)C2)c(=O)[nH]1,CI,0
COC(=O)C(=CCC(N=C(c1ccccc1)c1ccccc1)C(=O)OC)N=C(c1ccccc1)c1ccccc1,CI,0
CC1OC(OP(=O)(OCc2ccccc2)OCc2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1I,CI,0
CCCC(C(=O)OC)C1N=C(NC#N)N(Cc2ccccc2)C1=O,CI,0
CC1(C)C(=O)C(C)(C)C1=S,CI,0
O=C1C(Cl)C2c3cc4ccccc4nc3Oc3ccccc3N12,CI,0
CCOC(=O)C1CSCC(C(=O)OC)N1,CI,0
CCOC(=O)c1cc2c(OCc3ccccc3)c(OC)cc3c2c(n1)N(c1ccc(OC)cc1)C(C)C3,CI,0
C=Cc1c(-c2ccccc2)cnc2[nH]c3ccccc3c12,CI,0
O=C1C(=Cc2cccs2)C(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc1ccccc1,CI,0
O=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc1ccccc1,CI,0
N=C1NS(=O)(=O)NC(=N)C1=Cc1ccc([N+](=O)[O-])o1,CI,0
O=C(C1C(c2ccccc2)N1C(c1ccccc1)c1ccccc1)C1C(c2ccccc2)N1C(c1ccccc1)c1ccccc1,CI,0
CC(=C1CCCC2(N=NCC2c2ccccc2)C1=O)c1ccccc1,CI,0
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1,CI,0
COc1c(O)c2c3c(cc(C)cc3c1C(C)C)OC2,CI,0
N#CC(=Cc1c[nH]c2ccccc12)C(=O)c1ccc(O)c(O)c1,CI,0
N#CC(=Cc1ccc2[nH]ccc2c1)C(=O)c1ccc(O)c(O)c1,CI,0
CC(NC(=O)C(C#N)=Cc1ccc2[nH]ccc2c1)c1ccccc1,CI,0
CCc1c(-c2coc(CCC(C)=Cc3ccccc3)n2)oc(OC)c(C)c1=O,CI,0
O=C1CCCCC1=C1C(=O)Nc2cc(F)ccc21,CI,0
O=C1CCCCC1C1(O)C(=O)Nc2cc(F)ccc21,CI,0
O=C(CC1C(=O)c2ccccc2C1=C1C(=O)c2ccccc2C1=O)c1ccccc1,CI,0
[N-]=[N+]=NCC(O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21,CI,0
O=[N+]([O-])c1nccn1CC1OC(n2ccnc2[N+](=O)[O-])C(O)C(O)C1O,CI,0
COC1=CC(=O)c2c(cc3c(c2O)-c2c(OC)cc4cc5c(c(O)c4c2OC(=O)CC(C)(O)C3)C(=O)CC(C)(O)C5)C1=O,CI,0
COc1ccc(CCCN2c3ccccc3Sc3ccccc32)cc1,CI,0
CC(OC1CC(=O)CC2C(=O)C=CC(=O)C12)c1ccccc1,CI,0
COP1(OC)=[S+][Fe-4]23([S+]=P(OC)(OC)[SH+]2)([S+]=P(OC)(OC)[SH+]3)[SH+]1,CI,0
C1=c2ccccc2=C2C(=C(c3ccccc3)C(c3ccccc3)=NN2c2ccccc2)S1,CI,0
CC(C)N(C(C)C)P(OCCC#N)OC1CC(n2cnc3c(O)ncnc32)OC1COC(=O)NCCCCCCNC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1,CI,0
O=C(CSC(=S)N1CCOCC1)Nc1nc2c(s1)CCCC2,CI,0
O=C(CSC(=S)N1CCCCC1)Nc1nc2c(s1)CCCC2,CI,0
CCN(CC)C(=S)SCC(=O)Nc1nc2c(s1)CCCC2,CI,0
c1ccc2[nH]c(-c3nc4ccccc4s3)nc2c1,CI,0
c1ccc2[nH]c(-c3nc4ccccc4o3)nc2c1,CI,0
c1ccc2[nH]c(C3=NCCS3)nc2c1,CI,0
c1ccc2[nH]c(C3=NCCN3)nc2c1,CI,0
Cc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C,CI,0
CCn1c(SC(C)C(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc2c1=O,CI,0
c1ccc(Nc2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)s2)cc1,CI,0
CCNc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)s1,CI,0
CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1n[nH]c(=S)n1-c1ccccc1,CI,0
CCn1c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n[nH]c1=S,CI,0
C1CSCCCSCCCSCCCSCCCSC1,CI,0
C1CSCCCSCCCSCCCSCCCSCCCSCCCSCCCSC1,CI,0