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[{"from": "human", "value": "Given SMILES, write its compound. -> COC(=O)c1ccccc1C(=O)OC\n"}, {"from": "gpt", "value": " Dimethyl phthalate\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> trans-1,4-Dimethylcyclohexane\n"}, {"from": "gpt", "value": " InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility expressed as a logarithm in mol/L in room temperature. -> C1CCCCC1\n"}, {"from": "gpt", "value": " -3.1\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C. -> [C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]\n"}, {"from": "gpt", "value": " -1.3\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> CC(C)Nc1nc(Cl)nc(NC(C)C)n1\n"}, {"from": "gpt", "value": " Propazine\n"}] |
[{"from": "human", "value": "Given InChI, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> InChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3\n"}, {"from": "gpt", "value": " -2.09\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 3-Methylcholanthrene\n"}, {"from": "gpt", "value": " c1cc(C)cc2c1c3cc4cccc5CCc(c45)c3cc2\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][C][C][#C][C][C]\n"}, {"from": "gpt", "value": " 3-Hexyne\n"}] |
[{"from": "human", "value": "Given InChI, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H\n"}, {"from": "gpt", "value": " 0.02\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C? -> [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]\n"}, {"from": "gpt", "value": " -8.334\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3\n"}, {"from": "gpt", "value": " 1-Hexanol\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> 1-Octanol\n"}, {"from": "gpt", "value": " [C][C][C][C][C][C][C][C][O]\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given SMILES in room temperature? -> Cc1ccc2cc3ccccc3cc2c1\n"}, {"from": "gpt", "value": " -6.96\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given SMILES in room temperature? -> O=C1NC(=O)NC(=O)C1(CC)CC=C(C)C\n"}, {"from": "gpt", "value": " -2.253\n"}] |
[{"from": "human", "value": "Given SELFIES, write its aqueous solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> [C][C][C][Branch1][C][C][C][C][O]\n"}, {"from": "gpt", "value": " -0.72\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> ampyrone\n"}, {"from": "gpt", "value": " InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23\n"}, {"from": "gpt", "value": " Glafenine\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3\n"}, {"from": "gpt", "value": " Triadimefon\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> c1ccnnc1\n"}, {"from": "gpt", "value": " Pyridazine\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> 1-Iodonapthalene\n"}, {"from": "gpt", "value": " InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2\n"}, {"from": "gpt", "value": " Cycloheptene\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> OCC(O)C(O)C(O)C(O)CO\n"}, {"from": "gpt", "value": " Sorbitol\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility in room temperature. -> InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)\n"}, {"from": "gpt", "value": " 0.00031695674630434934 mol/L\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> Ethyl octanoate\n"}, {"from": "gpt", "value": " CCCCCCCC(=O)OCC\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SMILES in room temperature. -> CCCC(=C)C\n"}, {"from": "gpt", "value": " -3.03\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3\n"}, {"from": "gpt", "value": " Flumethasone\n"}] |
[{"from": "human", "value": "What is water solubility of given compound in room temperature? -> Propyl acetate\n"}, {"from": "gpt", "value": " 0.19054607179632474 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its aqueous solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> Propylbenzene \n"}, {"from": "gpt", "value": " -3.37\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 4-Methyl-2-pentanol\n"}, {"from": "gpt", "value": " CC(C)CC(C)O\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given compound in 25 \u00b0C. -> Difenoxuron\n"}, {"from": "gpt", "value": " -4.16\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][C][Branch1][C][C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N]\n"}, {"from": "gpt", "value": " Isoproturon\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> Benfuracarb\n"}, {"from": "gpt", "value": " CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc21)C(C)C\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given InChI in 25 \u00b0C. -> InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3\n"}, {"from": "gpt", "value": " -1.52\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> c1ccccc1SC\n"}, {"from": "gpt", "value": " thioanisole\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in room temperature. -> [C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][S][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C]\n"}, {"from": "gpt", "value": " -2.5180000000000002\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given SMILES in room temperature? -> CCCCCCO\n"}, {"from": "gpt", "value": " 0.057543993733715694 mol/L\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given SMILES in room temperature? -> NC(=O)c1ccccc1\n"}, {"from": "gpt", "value": " 0.1096478196143185 mol/L\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> 1,2,4-Trichlorobenzene\n"}, {"from": "gpt", "value": " [Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3\n"}, {"from": "gpt", "value": " 1-Nitropropane\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> 1-Octene \n"}, {"from": "gpt", "value": " InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][S][C][=N][N][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][N][C][Branch1][C][C][Branch1][C][C][C]\n"}, {"from": "gpt", "value": " Metribuzin\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> Hexamethylbenzene\n"}, {"from": "gpt", "value": " Cc1c(C)c(C)c(C)c(C)c1C\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility in 25 \u00b0C. -> InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)\n"}, {"from": "gpt", "value": " 0.0005970352865838372 mol/L\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> Ethofumesate\n"}, {"from": "gpt", "value": " [C][C][O][C][O][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][Ring1][=C][Branch1][C][C][C]\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3\n"}, {"from": "gpt", "value": " Risocaine\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> 1,2-Dichlorobenzene\n"}, {"from": "gpt", "value": " [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> 1,3-Dibromobenzene\n"}, {"from": "gpt", "value": " InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3\n"}, {"from": "gpt", "value": " Ethylcyclohexane\n"}] |
[{"from": "human", "value": "Given compound, write its water solubility in 25 \u00b0C. -> Ethyl butyrate\n"}, {"from": "gpt", "value": " 0.05248074602497726 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> CCCCCCCl\n"}, {"from": "gpt", "value": " 1-Chlorohexane\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C. -> [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C]\n"}, {"from": "gpt", "value": " -2.35\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3\n"}, {"from": "gpt", "value": " Propylisopropylether\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][C][C][C][C][C]\n"}, {"from": "gpt", "value": " Hexane \n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C? -> [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=Branch1][C][=O][=O]\n"}, {"from": "gpt", "value": " -4.7\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> Linuron\n"}, {"from": "gpt", "value": " CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3\n"}, {"from": "gpt", "value": " 1-Chloroheptane\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> Estrone\n"}, {"from": "gpt", "value": " [C][C][C][C][C][C][Branch1][S][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][O][Ring1][#Branch1][C][Ring1][#C][C][C][C][Ring2][Ring1][C][=O]\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C]\n"}, {"from": "gpt", "value": " Ethyl decanoate\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> Dimethyl phthalate\n"}, {"from": "gpt", "value": " [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given compound in 25 \u00b0C. -> Furane\n"}, {"from": "gpt", "value": " -0.82\n"}] |
[{"from": "human", "value": "Given SELFIES, write its water solubility in 25 \u00b0C. -> [Cl][C][C][C][C][Branch1][Branch1][C][Ring1][Branch1][Cl][C][Branch1][C][Cl][C][=Branch2][Ring1][C][=C][Branch1][C][Cl][C][Ring1][#Branch2][Branch1][C][Cl][C][Ring1][Branch2][Branch1][C][Cl][Cl][Cl]\n"}, {"from": "gpt", "value": " 1.380384264602884e-07 mol/L\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SMILES in 25 \u00b0C. -> Nc1nc(=O)[nH]cc1F\n"}, {"from": "gpt", "value": " -0.972\n"}] |
[{"from": "human", "value": "Given SMILES, write its water solubility in room temperature. -> CCN(CC)C(=O)C(=CCOP(=O)(OC)OC)Cl\n"}, {"from": "gpt", "value": " 3.3342641276323497 mol/L\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)\n"}, {"from": "gpt", "value": " p-Chloroacetanilide\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given InChI in 25 \u00b0C. -> InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3\n"}, {"from": "gpt", "value": " 0.005248074602497728 mol/L\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> 3,5-Dimethylpyridine\n"}, {"from": "gpt", "value": " InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]\n"}, {"from": "gpt", "value": " 4-Chlorotoluene\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given compound in room temperature? -> Cyclohexene\n"}, {"from": "gpt", "value": " -2.59\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given InChI in room temperature? -> InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2\n"}, {"from": "gpt", "value": " 0.0003467368504525317 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> Oc1ccccn1\n"}, {"from": "gpt", "value": " 2-Hydroxypyridine\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]\n"}, {"from": "gpt", "value": " 3,5-Dichlorophenol\n"}] |
[{"from": "human", "value": "Given compound, write its aqueous solubility in 25 \u00b0C. -> dibutyl sebacate\n"}, {"from": "gpt", "value": " 0.00012705741052085407 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][C][C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][#C][Branch1][C][F][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][#Branch2][Ring1][Branch2]\n"}, {"from": "gpt", "value": " Fluoromethalone\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> Linuron\n"}, {"from": "gpt", "value": " InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> 4-hydroxypyridine\n"}, {"from": "gpt", "value": " [O][C][=C][C][=N][C][=C][Ring1][=Branch1]\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> 2-Chlorotoluene\n"}, {"from": "gpt", "value": " Cc1ccccc1Cl\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> chlordimeform\n"}, {"from": "gpt", "value": " [C][N][Branch1][C][C][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C]\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> 3-Methylpentane\n"}, {"from": "gpt", "value": " CCC(C)CC\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> Diethyl ether \n"}, {"from": "gpt", "value": " InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given compound in 25 \u00b0C. -> Propane\n"}, {"from": "gpt", "value": " -1.94\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl\n"}, {"from": "gpt", "value": " Dienochlor\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/CH4/h1H4\n"}, {"from": "gpt", "value": " Methane\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H\n"}, {"from": "gpt", "value": " Furfural\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3\n"}, {"from": "gpt", "value": " 2-Pentanol\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)\n"}, {"from": "gpt", "value": " Siduron\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " 6-Methylchrysene\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [O][C][C][C][C][C][C][C][C][Ring1][Branch2]\n"}, {"from": "gpt", "value": " Cyclooctanol\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> 1-Nitronapthalene\n"}, {"from": "gpt", "value": " InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H\n"}] |
[{"from": "human", "value": "Given SELFIES, write its aqueous solubility in 25 \u00b0C. -> [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]\n"}, {"from": "gpt", "value": " 0.00042657951880159257 mol/L\n"}] |
[{"from": "human", "value": "Given SMILES, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> COc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2\n"}, {"from": "gpt", "value": " -4.16\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given InChI in room temperature. -> InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)\n"}, {"from": "gpt", "value": " 6.165950018614822e-05 mol/L\n"}] |
[{"from": "human", "value": "What is water solubility of given InChI in 25 \u00b0C? -> InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)\n"}, {"from": "gpt", "value": " 9.549925860214369e-07 mol/L\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given compound in 25 \u00b0C. -> Monuron\n"}, {"from": "gpt", "value": " 0.0012882495516931337 mol/L\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> Cypermethrin\n"}, {"from": "gpt", "value": " InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SMILES in room temperature. -> COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C\n"}, {"from": "gpt", "value": " -5.19\n"}] |
[{"from": "human", "value": "Given SMILES, write its compound. -> CCCCN(CC)C(=O)SCCC\n"}, {"from": "gpt", "value": " Pebulate\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C? -> [C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O]\n"}, {"from": "gpt", "value": " -1.661\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> Ethane\n"}, {"from": "gpt", "value": " CC\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> p,p'-Biphenyldiamine \n"}, {"from": "gpt", "value": " [N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]\n"}] |
[{"from": "human", "value": "Write water solubility of given InChI in room temperature. -> InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3\n"}, {"from": "gpt", "value": " 2.570395782768865e-07 mol/L\n"}] |