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[{"from": "human", "value": "Given SELFIES, write its compound. -> [F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]\n"}, {"from": "gpt", "value": " m-Fluorobromobenzene\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> 1-Nonanol\n"}, {"from": "gpt", "value": " CCCCCCCCCO\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given compound in 25 \u00b0C? -> 3,3-Dimethyl-2-butanol\n"}, {"from": "gpt", "value": " -0.62\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> Bromophos\n"}, {"from": "gpt", "value": " InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3\n"}] |
[{"from": "human", "value": "Given compound, write its aqueous solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> Hydrocortisone \n"}, {"from": "gpt", "value": " -3.09\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H\n"}, {"from": "gpt", "value": " 3-Chlorophenol\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 1-Hexadecanol\n"}, {"from": "gpt", "value": " CCCCCCCCCCCCCCCCO\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> Chlorothalonil\n"}, {"from": "gpt", "value": " [C][Branch1][Ring1][C][#N][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][Ring1][=N]\n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> Nimetazepam\n"}, {"from": "gpt", "value": " [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][N][=Branch1][C][=O][=O]\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> chlordimeform\n"}, {"from": "gpt", "value": " InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][O][Branch1][C][C][C][=C]\n"}, {"from": "gpt", "value": " linalool\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given SMILES in 25 \u00b0C? -> O=C1CCCCC1\n"}, {"from": "gpt", "value": " -0.6\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> 2,3,4,6-Tetrachlorophenol\n"}, {"from": "gpt", "value": " Oc1c(Cl)cc(Cl)c(Cl)c1Cl\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given InChI in 25 \u00b0C. -> InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3\n"}, {"from": "gpt", "value": " 0.1\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3\n"}, {"from": "gpt", "value": " Pentylbenzene\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility expressed as a logarithm in mol/L in room temperature. -> InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3\n"}, {"from": "gpt", "value": " -4.88\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> 1,2,4,5-Tetrachlorobenzene\n"}, {"from": "gpt", "value": " [Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> CC(=O)Nc1ccc(O)cc1\n"}, {"from": "gpt", "value": " p-Hydroxyacetanilide\n"}] |
[{"from": "human", "value": "What is water solubility of given compound in 25 \u00b0C? -> Bromophos\n"}, {"from": "gpt", "value": " 8.128305161640995e-07 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3\n"}, {"from": "gpt", "value": " Flumetralin\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> Dimethyl phthalate\n"}, {"from": "gpt", "value": " InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> CCC#N\n"}, {"from": "gpt", "value": " Propionitrile\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given compound in 25 \u00b0C. -> Heptachlor\n"}, {"from": "gpt", "value": " -6.317\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][C][=C][C][=C][Branch2][Ring1][=C][O][P][=Branch1][C][=O][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch2]\n"}, {"from": "gpt", "value": " Tricresyl phosphate\n"}] |
[{"from": "human", "value": "Given compound, write its aqueous solubility expressed as a logarithm in mol/L in room temperature. -> Carbaryl\n"}, {"from": "gpt", "value": " -3.2239999999999998\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given compound in room temperature? -> Azintamide\n"}, {"from": "gpt", "value": " -1.716\n"}] |
[{"from": "human", "value": "Given SELFIES, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " -3.03\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> 1,3,5-Tribromobenzene\n"}, {"from": "gpt", "value": " InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H\n"}] |
[{"from": "human", "value": "Given SELFIES, write its aqueous solubility in room temperature. -> [C][C][C][C][C][C][C][C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " 5.623413251903491e-05 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 2,3-Dimethylbutane\n"}, {"from": "gpt", "value": " CC(C)C(C)C\n"}] |
[{"from": "human", "value": "Given compound, write its water solubility expressed as a logarithm in mol/L in room temperature. -> Naled\n"}, {"from": "gpt", "value": " -2.28\n"}] |
[{"from": "human", "value": "Given SELFIES, write its water solubility in 25 \u00b0C. -> [C][C][C][=Branch1][C][=C][C]\n"}, {"from": "gpt", "value": " 0.0018620871366628676 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given SMILES. -> Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl\n"}, {"from": "gpt", "value": " 2,2,4,6,6'-PCB\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C. -> [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][Ring1][=C]\n"}, {"from": "gpt", "value": " -7.87\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> cis-1,2-Dimethylcyclohexane\n"}, {"from": "gpt", "value": " C/C1CCCCC1\\C\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [Cl][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]\n"}, {"from": "gpt", "value": " m-Chloroiodobenzene\n"}] |
[{"from": "human", "value": "Write water solubility of given compound in 25 \u00b0C. -> Benzo[ghi]perylene\n"}, {"from": "gpt", "value": " 9.594006315159356e-10 mol/L\n"}] |
[{"from": "human", "value": "Given InChI, write its compound. -> InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3\n"}, {"from": "gpt", "value": " 3-Methyl-1-Butene\n"}] |
[{"from": "human", "value": "Given compound, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> Cyclohexanone\n"}, {"from": "gpt", "value": " -0.6\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> 3-Methyl-2-pentanol\n"}, {"from": "gpt", "value": " CCC(C)CCO\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility in 25 \u00b0C. -> OC1C(O)C(O)C(O)C(O)C1O\n"}, {"from": "gpt", "value": " 2.2387211385683394 mol/L\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility in room temperature. -> InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3\n"}, {"from": "gpt", "value": " 0.01778279410038923 mol/L\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given InChI in 25 \u00b0C? -> InChI=1S/C22H24N2O4/c1-2-3-6-15-19(25)28-16-24-20(26)22(23-21(24)27,17-11-7-4-8-12-17)18-13-9-5-10-14-18/h4-5,7-14H,2-3,6,15-16H2,1H3,(H,23,27)\n"}, {"from": "gpt", "value": " -5.886\n"}] |
[{"from": "human", "value": "What will be SMILES of given compound? -> Riboflavin\n"}, {"from": "gpt", "value": " Cc3cc2nc1c(=O)[nH]c(=O)nc1n(CC(O)C(O)C(O)CO)c2cc3C\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 2-Undecanol\n"}, {"from": "gpt", "value": " CCCCCCCCCC(C)O\n"}] |
[{"from": "human", "value": "What is water solubility of given InChI in room temperature? -> InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)\n"}, {"from": "gpt", "value": " 0.0003908408957924021 mol/L\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given compound in room temperature? -> vamidothion\n"}, {"from": "gpt", "value": " 13.931568029453036 mol/L\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given compound in 25 \u00b0C? -> Iodofenphos\n"}, {"from": "gpt", "value": " 2.39883291901949e-07 mol/L\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in room temperature. -> [C][C][C][C][=Branch1][C][=O][C]\n"}, {"from": "gpt", "value": " -0.19\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 17a-Methyltestosterone\n"}, {"from": "gpt", "value": " CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given InChI in 25 \u00b0C? -> InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-\n"}, {"from": "gpt", "value": " 0.0028840315031266055 mol/L\n"}] |
[{"from": "human", "value": "What is water solubility expressed as a logarithm in mol/L of given SELFIES in room temperature? -> [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " -2.33\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given InChI in 25 \u00b0C? -> InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3\n"}, {"from": "gpt", "value": " 0.28183829312644537 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given SELFIES? -> [C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C]\n"}, {"from": "gpt", "value": " Dihexyl phthalate\n"}] |
[{"from": "human", "value": "Given SELFIES, write its aqueous solubility in 25 \u00b0C. -> [Cl][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl]\n"}, {"from": "gpt", "value": " 1.202264434617413e-08 mol/L\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given SMILES in room temperature? -> ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O\n"}, {"from": "gpt", "value": " 9.332543007969906e-06 mol/L\n"}] |
[{"from": "human", "value": "What is solubility expressed as a logarithm in mol/L of given SELFIES in room temperature? -> [C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][Ring1][#C][C][O][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][Branch1][C][C][C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2][F]\n"}, {"from": "gpt", "value": " Unable to answer the question due to lack of conditions\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> CCCCCCC=C\n"}, {"from": "gpt", "value": " 1-Octene \n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> Quinoline\n"}, {"from": "gpt", "value": " [C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]\n"}] |
[{"from": "human", "value": "What is water solubility of given SMILES in 25 \u00b0C? -> O=C1N(COC(=O)CCCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3\n"}, {"from": "gpt", "value": " 2.9991625189876533e-07 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3\n"}, {"from": "gpt", "value": " 2,6-Dimethylnaphthalene \n"}] |
[{"from": "human", "value": "Write a possible SELFIES of given compound. -> Butan-2-ol\n"}, {"from": "gpt", "value": " [C][C][C][Branch1][C][C][O]\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given SMILES in 25 \u00b0C. -> c1ccc2c(c1)ccc3c4ccccc4ccc23\n"}, {"from": "gpt", "value": " 8.770008211436339e-09 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> Hydroxyprogesterone-17a\n"}, {"from": "gpt", "value": " [C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C]\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> Anthracene\n"}, {"from": "gpt", "value": " c1ccc2cc3ccccc3cc2c1\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)\n"}, {"from": "gpt", "value": " Acetanilide\n"}] |
[{"from": "human", "value": "What is compound of given SMILES? -> O=c2[nH]c1CCCc1c(=O)n2C3CCCCC3\n"}, {"from": "gpt", "value": " Lenacil\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> 2,4-Dimethylphenol\n"}, {"from": "gpt", "value": " Cc1ccc(O)c(C)c1\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility in room temperature. -> Cc1cccc(C)c1\n"}, {"from": "gpt", "value": " 0.0015135612484362087 mol/L\n"}] |
[{"from": "human", "value": "What is compound of given InChI? -> InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3\n"}, {"from": "gpt", "value": " Ethyl acetate\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " p-terphenyl\n"}] |
[{"from": "human", "value": "Given SMILES, write its compound. -> CCC=O\n"}, {"from": "gpt", "value": " Propionaldehyde\n"}] |
[{"from": "human", "value": "Given compound, write its potential SELFIES. -> 1-Chloronapthalene\n"}, {"from": "gpt", "value": " [Cl][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> m-Chloroiodobenzene\n"}, {"from": "gpt", "value": " InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> 4-Bromophenol\n"}, {"from": "gpt", "value": " [O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> 1-Nitronapthalene\n"}, {"from": "gpt", "value": " O=N(=O)c1cccc2ccccc12\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> Propylcyclopentane\n"}, {"from": "gpt", "value": " [C][C][C][C][C][C][C][C][Ring1][Branch1]\n"}] |
[{"from": "human", "value": "Given SELFIES, write its compound. -> [Br][C][Branch1][C][Br][Br]\n"}, {"from": "gpt", "value": " Tribromomethane\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> 3,4-Dichloronitrobenzene\n"}, {"from": "gpt", "value": " InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H\n"}] |
[{"from": "human", "value": "Write a possible SMILES of given compound. -> Disulfiram\n"}, {"from": "gpt", "value": " CCN(CC)C(=S)SSC(=S)N(CC)CC\n"}] |
[{"from": "human", "value": "What will be SELFIES of given compound? -> 2-Ethyl-2-hexanal\n"}, {"from": "gpt", "value": " [C][C][C][C][=C][Branch1][Ring1][C][C][C][=O]\n"}] |
[{"from": "human", "value": "Given InChI, write its aqueous solubility in 25 \u00b0C. -> InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)\n"}, {"from": "gpt", "value": " 0.0052360043658575 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given SELFIES. -> [C][C][Branch1][C][C][C][C][O]\n"}, {"from": "gpt", "value": " 3-Methylbutan-1-ol\n"}] |
[{"from": "human", "value": "Given SELFIES, write its aqueous solubility in 25 \u00b0C. -> [C][C][C][C][C][C][Branch1][P][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][O][Ring1][#Branch1][C][C][Ring1][S][C][C][C][Ring2][Ring1][Ring1][O]\n"}, {"from": "gpt", "value": " 9.549925860214369e-05 mol/L\n"}] |
[{"from": "human", "value": "Given InChI, write its water solubility expressed as a logarithm in mol/L in 25 \u00b0C. -> InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H\n"}, {"from": "gpt", "value": " -1.16\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SMILES in room temperature. -> Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2\n"}, {"from": "gpt", "value": " -7.25\n"}] |
[{"from": "human", "value": "What is aqueous solubility of given SELFIES in room temperature? -> [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]\n"}, {"from": "gpt", "value": " 0.004168693834703355 mol/L\n"}] |
[{"from": "human", "value": "Write compound of given InChI. -> InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3\n"}, {"from": "gpt", "value": " 2,2-Dimethylbutane\n"}] |
[{"from": "human", "value": "Given SMILES, write its aqueous solubility in room temperature. -> OCCCC=C\n"}, {"from": "gpt", "value": " 0.7079457843841379 mol/L\n"}] |
[{"from": "human", "value": "Given compound, write its potential SMILES. -> Etofenprox\n"}, {"from": "gpt", "value": " CCOc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3\n"}] |
[{"from": "human", "value": "What is InChI of given compound? -> Diiodomethane\n"}, {"from": "gpt", "value": " InChI=1S/CH2I2/c2-1-3/h1H2\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given compound in room temperature. -> Thymol\n"}, {"from": "gpt", "value": " 0.006025595860743574 mol/L\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given SELFIES in 25 \u00b0C. -> [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][Branch1][Ring1][C][=O][C][=N][C][Branch1][C][Cl][=C][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2]\n"}, {"from": "gpt", "value": " 2.6546055619755363e-05 mol/L\n"}] |
[{"from": "human", "value": "Write aqueous solubility of given SELFIES in 25 \u00b0C. -> [C][C][C][Br]\n"}, {"from": "gpt", "value": " 0.018620871366628676 mol/L\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SMILES in room temperature. -> Cc1cccc2c1Cc3ccccc32\n"}, {"from": "gpt", "value": " -5.22\n"}] |
[{"from": "human", "value": "Write water solubility expressed as a logarithm in mol/L of given SELFIES in room temperature. -> [C][C][Branch1][C][Cl][C][Cl]\n"}, {"from": "gpt", "value": " -1.6\n"}] |
[{"from": "human", "value": "Given compound, write its InChI. -> 1-Phenylethanol\n"}, {"from": "gpt", "value": " InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3\n"}] |
[{"from": "human", "value": "Write InChI of given compound. -> Indan\n"}, {"from": "gpt", "value": " InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2\n"}] |
[{"from": "human", "value": "What is aqueous solubility expressed as a logarithm in mol/L of given SMILES in 25 \u00b0C? -> CC(C)c1ccccc1\n"}, {"from": "gpt", "value": " -3.27\n"}] |
[{"from": "human", "value": "Write aqueous solubility expressed as a logarithm in mol/L of given SELFIES in 25 \u00b0C. -> [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]\n"}, {"from": "gpt", "value": " -3.0\n"}] |