prompt stringlengths 117 244 | input_smiles stringlengths 16 105 | output_smiles stringlengths 4 125 | task_id int64 101 206 | action_type stringclasses 3
values |
|---|---|---|---|---|
Can you make molecule c1(OC)ccccc1C=CC[NH+]1CCN(CCO)CC1 less soluble in water? The output molecule should be similar to the input molecule. | c1(OC)ccccc1C=CC[NH+]1CCN(CCO)CC1 | c1(OC)ccccc1C=CC[C@H]1CN([NH+]2CCN(CCO)CC2)[C@H](C)CC1 | 102 | insert |
Can you make molecule c1(NC(C(=C)C)=O)ccc(C=CC(c2ccc(OC)cc2)=O)cc1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(NC(C(=C)C)=O)ccc(C=CC(c2ccc(OC)cc2)=O)cc1 | c1(NC(C(=C)C)=O)ccc(C=c2[nH]c(=CC(c3ccc(OC)cc3)=O)c(C#N)c2N)cc1 | 108 | insert |
Can you make molecule Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc23)c1-c1ccc(Cl)cc1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc23)c1-c1ccc(Cl)cc1 | Cc1nn2c(nnc3c(=O)n(-c4cc(C)c5c(n4)nc(CCCN4CCOCC4)cc5)ccc23)c1-c1ccc(Cl)cc1 | 202 | insert |
Can you make molecule O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F | O=C(C/C(=N\Nc1nc(-c2cc(N)c(O)cc2)cs1)c1ccccc1)C(F)(F)F | 107 | replace |
Can you make molecule n1(CC(=O)NCC(c2ccncc2)(C)C)c(SC(F)F)nc2ccccc12 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | n1(CC(=O)NCC(c2ccncc2)(C)C)c(SC(F)F)nc2ccccc12 | n1(CC(=O)NCC(c2ccncc2)(C)C)c(C(=O)NOSC(F)F)nc2ccccc12 | 201 | insert |
Can you make molecule O=C(CCC(=O)c1ccccc1)Nc1ccn(-c2ncccc2Cl)n1 more like a drug? The output molecule should be similar to the input molecule. | O=C(CCC(=O)c1ccccc1)Nc1ccn(-c2ncccc2Cl)n1 | O=C(CCC(=O)c1ccccc1)NC1CCN(c2ncccc2Cl)CC1 | 103 | replace |
Can you make molecule c1(C(=O)NC)ccc(C=CC(N2CC[C@@H](C)C[C@H]2C)=O)cc1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(=O)NC)ccc(C=CC(N2CC[C@@H](C)C[C@H]2C)=O)cc1 | c1(S(CCNC)(=O)=O)ccc(C=CC(N2CC[C@@H](C)C[C@H]2C)=O)cc1 | 107 | replace |
Can you make molecule C(c1ccccc1)=C(C[NH2+]C[C@@H]1[C@@H](c2cn(CC)nc2)OCC1)C less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | C(c1ccccc1)=C(C[NH2+]C[C@@H]1[C@@H](c2cn(CC)nc2)OCC1)C | C(c1ccccc1)=C(C[NH2+]C[C@@H]1[C@@H](c2cc(NNC(=O)CC)c(Cl)cc2)OCC1)C | 204 | replace |
Can you make molecule c1(C(=O)Nc2ccc(OC)c(OC)c2)n[nH]c2cccc(Cl)c12 less soluble in water? The output molecule should be similar to the input molecule. | c1(C(=O)Nc2ccc(OC)c(OC)c2)n[nH]c2cccc(Cl)c12 | c1(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)c(F)cc2Cl)n[nH]c2cccc(Cl)c12 | 102 | insert |
Can you make molecule [C@@H]1(CNC(c2cc3ccccc3n2Cc2ccccc2)=O)CCC[NH+]2CCCC[C@H]12 less like a drug? The output molecule should be similar to the input molecule. | [C@@H]1(CNC(c2cc3ccccc3n2Cc2ccccc2)=O)CCC[NH+]2CCCC[C@H]12 | [C@@H]1(CNC(c2cc3c(N)c(Cc4ccccc4)sc3nc2C)=O)CCC[NH+]2CCCC[C@H]12 | 104 | replace |
Can you make molecule c1(CC)ccc(-c2csc(NC([C@H]3CCC(=O)NC3)=O)n2)cc1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(CC)ccc(-c2csc(NC([C@H]3CCC(=O)NC3)=O)n2)cc1 | c1(CC)ccc(-c2csc(NC(=S)NNC(=S)NNC([C@H]3CCC(=O)NC3)=O)n2)cc1 | 108 | insert |
Can you make molecule c1(CCCOCC)cnc(C[NH2+]C)o1 more like a drug? The output molecule should be similar to the input molecule. | c1(CCCOCC)cnc(C[NH2+]C)o1 | c1(CCCOCC)cnc(Cc2oc([NH2+]C)cc2C)o1 | 103 | insert |
Can you make molecule c1(C(=O)Nc2c(C)cc(N(C)C)cc2)c[nH]c2nccc(Cl)c12 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(=O)Nc2c(C)cc(N(C)C)cc2)c[nH]c2nccc(Cl)c12 | c1(C(=O)Nc2c(C)cc(-c3cnc4ccc(N(C)C)nn4c3=O)cc2)c[nH]c2nccc(Cl)c12 | 107 | insert |
Can you make molecule [C@H]1(C(N(C(C)C)C)=O)CSCN1C(=O)/C=C/SCc1ccco1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@H]1(C(N(C(C)C)C)=O)CSCN1C(=O)/C=C/SCc1ccco1 | [C@H]1(C(N(C(C)C)C)=O)CSCN1C(=O)/C=C/S[C@H]1N[C@@H](Cc2ccco2)NO1 | 108 | insert |
Can you make molecule Cc1nc(Nc2ccc(OCC3CCOCC3)cc2)c2cc[nH]c2n1 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1nc(Nc2ccc(OCC3CCOCC3)cc2)c2cc[nH]c2n1 | Cc1nc(Nc2ccc(OCNC3=NN[C@H](C4CCOCC4)S3)cc2)c2cc[nH]c2n1 | 203 | insert |
Can you make molecule N1(C(=O)CC2CCCCC2)CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | N1(C(=O)CC2CCCCC2)CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 | N1(C(=O)CC2CCCCC2)CCN(c2nc(N/C(Nc3ccc(Cl)cc3)=N/c3ccccc3)no2)CC1 | 204 | insert |
Can you make molecule Cc1cnc2nc(Cc3ccsc3)[nH]c2c1 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | Cc1cnc2nc(Cc3ccsc3)[nH]c2c1 | Cc1cnc2nc(Cc3cn4ncsc4n3)[nH]c2c1 | 201 | replace |
Can you make molecule Cc1nn(C)c(=O)c(C(=O)NCC(c2ccccc2)(C)C)c1C with more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1nn(C)c(=O)c(C(=O)NCC(c2ccccc2)(C)C)c1C | Cc1nn(C)c(=O)c(CC(NNC(=O)NCC(c2ccccc2)(C)C)=O)c1C | 108 | replace |
Can you make molecule C1([NH2+][C@@H](c2cccnc2)C)CCN(C(c2ccccc2F)=O)CC1 with more hydrogen bond donors? The output molecule should be similar to the input molecule. | C1([NH2+][C@@H](c2cccnc2)C)CCN(C(c2ccccc2F)=O)CC1 | C1([NH2+][C@@H](c2cccnc2)C)CCN(C(=O)N/C(=[NH+]/CCc2ccccc2F)N)CC1 | 108 | insert |
Can you make molecule c1([C@H](C)[NH2+]Cc2c(O)ccc(OC)c2)ccc([S@@](C)=O)cc1 more soluble in water and higher permeability? The output molecule should be similar to the input molecule. | c1([C@H](C)[NH2+]Cc2c(O)ccc(OC)c2)ccc([S@@](C)=O)cc1 | c1([C@H](C)[NH2+]C[NH+]2Cc3c(OC)cccc3C2)ccc([S@@](C)=O)cc1 | 205 | replace |
Can you make molecule c1(C[NH2+]CC(=O)N[C@H](CCC)C)cscc1C with more hydrogen bond donors? The output molecule should be similar to the input molecule. | c1(C[NH2+]CC(=O)N[C@H](CCC)C)cscc1C | c1([C@H]2N[C@@H](C[NH2+]CC(=O)N[C@H](CCC)C)NO2)cscc1C | 108 | insert |
Can you make molecule c1(OC)ccc(OCC(N2CC(OCc3ccc(Cl)cc3)C2)=O)cc1 less soluble in water? The output molecule should be similar to the input molecule. | c1(OC)ccc(OCC(N2CC(OCc3ccc(Cl)cc3)C2)=O)cc1 | c1(OC)ccc(OC(CC)(CC)C(=O)CCN2CC(OCc3ccc(Cl)cc3)C2)cc1 | 102 | replace |
Can you make molecule [NH+]1(C(C)C)CCCN(C(=O)NCc2ccccc2C[NH+](C)C)CC1 less soluble in water? The output molecule should be similar to the input molecule. | [NH+]1(C(C)C)CCCN(C(=O)NCc2ccccc2C[NH+](C)C)CC1 | [NH+]1(C(C)C)CCCN(C(=O)NCCC[C@@](c2ccccc2C[NH+](C)C)(C)C#N)CC1 | 102 | insert |
Can you make molecule Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)Nc2ccc(F)cc2F)C1=O more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)Nc2ccc(F)cc2F)C1=O | Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)NONC(c2ccc(F)cc2F)=O)C1=O | 201 | insert |
Can you make molecule c1(CC)nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br less like a drug? The output molecule should be similar to the input molecule. | c1(CC)nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br | c1(CCS)nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br | 104 | replace |
Can you make molecule c1(N(C)Cc2ccccc2)nc2nonc2nc1N1CCCO1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | c1(N(C)Cc2ccccc2)nc2nonc2nc1N1CCCO1 | c1(CC/[NH+]=C(\N)NN(C)Cc2ccccc2)nc2nonc2nc1N1CCCO1 | 206 | insert |
Can you make molecule Cc1ccc(OCC(NC(=S)NC[C@H]2CCCO2)=O)cc1 less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | Cc1ccc(OCC(NC(=S)NC[C@H]2CCCO2)=O)cc1 | Cc1ccc(OC(=O)NNc2cccc(NC(=S)NC[C@H]3CCCO3)c2)cc1 | 204 | replace |
Can you make molecule c1(OC)ccc(OC)c(NC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 lower permeability? The output molecule should be similar to the input molecule. | c1(OC)ccc(OC)c(NC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 | c1(OC)ccc(OC)c(NC(=O)Nc2cc(N3CCNCC3)ncn2)c1.c1ccccc1O | 106 | replace |
Can you make molecule [C@@H]1(c2onc([C@@H](CC)C)n2)CCCN(C(C2CCCC2)=O)C1 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@@H]1(c2onc([C@@H](CC)C)n2)CCCN(C(C2CCCC2)=O)C1 | [C@@H]1(c2onc([C@H]3NN=C(N[C@@H](CC)C)S3)n2)CCCN(C(C2CCCC2)=O)C1 | 203 | insert |
Can you make molecule c1(C(=O)NC)ccc(NC(c2csc(-c3ccccc3)n2)=O)cc1 higher permeability? The output molecule should be similar to the input molecule. | c1(C(=O)NC)ccc(NC(c2csc(-c3ccccc3)n2)=O)cc1 | c1(C(=O)NC)ccc(NC(c2sc(-c3ccccc3)cc2Br)=O)cc1 | 105 | replace |
Can you make molecule n1(C[C@@H](C)NS(C)(=O)=O)ccnc1 more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | n1(C[C@@H](C)NS(C)(=O)=O)ccnc1 | n1(C[C@@H](C)Nc2cc(S(C)(=O)=O)nc(NN)n2)ccnc1 | 203 | insert |
Can you make molecule C(=O)(C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(C)=O)OCC more soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | C(=O)(C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(C)=O)OCC | C(=O)(C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(C)=O)[C@H]1NN=C(NOCC)S1 | 203 | insert |
Can you make molecule N1(S(C)(=O)=O)C[C@H](C(N)=O)Oc2ccccc21 lower permeability? The output molecule should be similar to the input molecule. | N1(S(C)(=O)=O)C[C@H](C(N)=O)Oc2ccccc21 | N1(CCS(=O)(=O)[O-])C[C@H](C(N)=O)Oc2ccccc21 | 106 | replace |
Can you make molecule [NH+]1([C@@H](C)C(=O)[O-])CCN(C(c2ccc(C[NH3+])o2)=O)CC1 more like a drug? The output molecule should be similar to the input molecule. | [NH+]1([C@@H](C)C(=O)[O-])CCN(C(c2ccc(C[NH3+])o2)=O)CC1 | [NH+]1([C@@H](C)C(=O)[O-])CCN(c2cc(C)c(-c3ccc(C[NH3+])o3)s2)CC1 | 103 | replace |
Can you make molecule [C@H]1([NH2+][C@@H](COC)C(C)C)CCCN(c2ccccc2F)C1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | [C@H]1([NH2+][C@@H](COC)C(C)C)CCCN(c2ccccc2F)C1 | [C@H]1([NH2+][C@@H](CC(=O)NN)C(C)C)CCCN(c2ccccc2F)C1 | 206 | replace |
Can you make molecule Cn1cc(NC(C2(c3ccccc3)CC2)=O)cc1C(N)=O less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | Cn1cc(NC(C2(c3ccccc3)CC2)=O)cc1C(N)=O | Cn1cc(NC(C2(c3ccccc3)CC2)=O)cc1-c1cc(C)n(C(N)=O)n1 | 202 | insert |
Can you make molecule c1(C(N2CCN(CCc3ccccc3Cl)CC2)=O)ccc(O)cc1 with more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(N2CCN(CCc3ccccc3Cl)CC2)=O)ccc(O)cc1 | c1(O/N=C/C(N2CCN(CCc3ccccc3Cl)CC2)=O)ccc(O)cc1 | 107 | replace |
Can you make molecule c1(C[NH2+]C)ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 higher permeability? The output molecule should be similar to the input molecule. | c1(C[NH2+]C)ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 | c1(CC2CC[NH+](C)CC2)ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 | 105 | replace |
Can you make molecule c1(NC(C=CC(=O)OC)=O)cc(C)cc(C)c1 less like a drug? The output molecule should be similar to the input molecule. | c1(NC(C=CC(=O)OC)=O)cc(C)cc(C)c1 | c1(NC(C=[SH]/C=C(/N=CC(=O)OC)[O-])=O)cc(C)cc(C)c1 | 104 | insert |
Can you make molecule c1(NC([C@@H](CC)C)=O)cccc(CNC(=O)C[NH+]2CCCCCC2)c1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(NC([C@@H](CC)C)=O)cccc(CNC(=O)C[NH+]2CCCCCC2)c1 | c1(NC([C@@H](CC)C)=O)cccc(Cc2cnc3ccc(NC(=O)C[NH+]4CCCCCC4)nn3c2=O)c1 | 202 | insert |
Can you make molecule N1(C(c2scc(C#N)c2)=O)CC[C@H]2CCCC[C@H]12 more like a drug? The output molecule should be similar to the input molecule. | N1(C(c2scc(C#N)c2)=O)CC[C@H]2CCCC[C@H]12 | N1(C(c2c3ncnc(N)c3cs2)=O)CC[C@H]2CCCC[C@H]12 | 103 | replace |
Can you make molecule S(=O)(=O)(c1ccc(Cl)cc1)N(CC(=O)NCC(c1ccncc1)(C)C)C lower permeability? The output molecule should be similar to the input molecule. | S(=O)(=O)(c1ccc(Cl)cc1)N(CC(=O)NCC(c1ccncc1)(C)C)C | S(=O)(=O)(c1ccc(Cl)cc1)N(CC(=O)NCC(C)(C)c1nnc(-c2ccncc2)c(=O)n1N)C | 106 | insert |
Can you make molecule c1(OCC)ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OCC)ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F | c1(OCC)ccc(F)c(C(=O)OC[C@H]2CCc3ncnn3C2)c1F | 201 | replace |
Can you make molecule N1(Cc2cn(C)nc2)CCN([C@H](c2cccc(Cl)c2)CO)CC1 more soluble in water? The output molecule should be similar to the input molecule. | N1(Cc2cn(C)nc2)CCN([C@H](c2cccc(Cl)c2)CO)CC1 | N1(Cc2cn(C)nc2)CCN([C@@H](CO)[C@]2(O)CCCN(c3cccc(Cl)c3)C2)CC1 | 101 | insert |
Can you make molecule c1(NC(C(=O)N[C@H](c2cc(C)oc2C)C)=O)cc(NC(=O)C2CC2)ccc1C lower permeability? The output molecule should be similar to the input molecule. | c1(NC(C(=O)N[C@H](c2cc(C)oc2C)C)=O)cc(NC(=O)C2CC2)ccc1C | c1(Nn2c(C)nc(C(C(=O)N[C@H](c3cc(C)oc3C)C)=O)c2)cc(NC(=O)C2CC2)ccc1C | 106 | insert |
Can you make molecule Cc1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1C higher permeability? The output molecule should be similar to the input molecule. | Cc1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1C | Cc1cccc(C(=O)NNCC2CCC2)c1C | 105 | delete |
Can you make molecule c1(CC)noc(CC)c1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 lower permeability? The output molecule should be similar to the input molecule. | c1(CC)noc(CC)c1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 | c1(CC)noc(CC)c1CNC(=O)NONC(c1cnn(C[C@@H]2CCCO2)c1)=O | 106 | insert |
Can you make molecule c1(NC(C2CCN(c3cc(-n4c(C)ncc4)ncn3)CC2)=O)ccc(F)c(F)c1 less soluble in water? The output molecule should be similar to the input molecule. | c1(NC(C2CCN(c3cc(-n4c(C)ncc4)ncn3)CC2)=O)ccc(F)c(F)c1 | c1(NC(C2CCN(c3cc(C(=O)/N=c4/sccn4-n4c(C)ncc4)ncn3)CC2)=O)ccc(F)c(F)c1 | 102 | insert |
Can you make molecule Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C less like a drug? The output molecule should be similar to the input molecule. | Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C | Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccc(C)c(I)c3)C(C)C)CC2)c1C | 104 | replace |
Can you make molecule [C@H]1(NCC)CCCC[C@@H]1[NH+](C)Cc1cccc(C)n1 less soluble in water and more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@H]1(NCC)CCCC[C@@H]1[NH+](C)Cc1cccc(C)n1 | [C@H]1(c2cc(NCC)ccc2NN)CCCC[C@@H]1[NH+](C)Cc1cccc(C)n1 | 204 | insert |
Can you make molecule N#Cc1ccc(OCC(=O)NCc2cccc(CO)c2)cc1 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | N#Cc1ccc(OCC(=O)NCc2cccc(CO)c2)cc1 | N#Cc1ccc(OCC(=O)NCc2cc(CO)cc(O)c2O)cc1 | 201 | replace |
Can you make molecule Cc1c(C(=O)C=Cc2cnn(C)c2)nnn1-c1ccccc1 less soluble in water? The output molecule should be similar to the input molecule. | Cc1c(C(=O)C=Cc2cnn(C)c2)nnn1-c1ccccc1 | Cc1c(C(=O)C=Cc2cnn(C)c2)nnn1-c1cccc(C)c1C | 102 | replace |
Can you make molecule c1(N(C(c2cc3ccccc3o2)=O)C[C@H]2CCCO2)nc2c(F)cccc2s1 lower permeability? The output molecule should be similar to the input molecule. | c1(N(C(c2cc3ccccc3o2)=O)C[C@H]2CCCO2)nc2c(F)cccc2s1 | c1(N(CC(=O)C(c2cc3ccccc3o2)=O)C[C@H]2CCCO2)nc2c(F)cccc2s1 | 106 | replace |
Can you make molecule c1(OC)ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(F)c1 more soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(OC)ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(F)c1 | c1(OC)ccc(C(=O)OCC(=O)Nc2nnc([C@@H](C)C(C)C)c(=O)n2N)c(F)c1 | 201 | insert |
Can you make molecule [C@H]1(OC(C)=O)CC[C@H]2[C@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C with more hydrogen bond donors? The output molecule should be similar to the input molecule. | [C@H]1(OC(C)=O)CC[C@H]2[C@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C | [C@H]1(c2ccc(NNC(C(C)=O)=O)nn2)CC[C@H]2[C@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C | 108 | replace |
Can you make molecule c1(C(=O)OC)cccc(C(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)=O)c1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | c1(C(=O)OC)cccc(C(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)=O)c1 | c1(C(=O)OC)cccc(-c2nc(C)n(C(N3C[C@@H](c4ccc(F)cc4)C[C@H]3C)=O)c2)c1 | 202 | insert |
Can you make molecule c1([C@@H](C)NC(CCc2ccc(C)o2)=O)ccc(N2CCOCC2)cc1 more soluble in water and lower permeability? The output molecule should be similar to the input molecule. | c1([C@@H](C)NC(CCc2ccc(C)o2)=O)ccc(N2CCOCC2)cc1 | c1([C@@H](C)NN2C(=O)CCN(c3ccc(C)o3)C2=O)ccc(N2CCOCC2)cc1 | 206 | replace |
Can you make molecule N1(C(Cc2ccc(C)s2)=O)CCC[C@H](C(=O)NCC(F)(F)F)C1 less soluble in water and more hydrogen bond acceptors? The output molecule should be similar to the input molecule. | N1(C(Cc2ccc(C)s2)=O)CCC[C@H](C(=O)NCC(F)(F)F)C1 | N1(C(Cc2ccc(C)s2)=O)CCC[C@H](c2cnc3ccc(C(=O)NCC(F)(F)F)nn3c2=O)C1 | 202 | insert |
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