id stringlengths 36 36 | task stringclasses 3
values | question stringlengths 104 613 | src_smiles stringlengths 8 519 | ref_smiles stringlengths 8 515 | add_group stringclasses 9
values | remove_group stringclasses 10
values |
|---|---|---|---|---|---|---|
fa7945df-7193-4c9e-8129-cdce9bd5f247 | add | Please add a hydroxyl to the molecule COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1. | COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1O | hydroxyl | null |
054f148b-480a-410c-aee6-7cfac013d7ab | add | Modify the molecule O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1 | O=C(COc1cc2oc(=O)cc(-c3ccc(-c4ccccc4)cc3)c2cc1Cl)Nc1nccs1 | benzene | null |
d17799bb-69c3-430c-86ac-c3643543e4e4 | add | Modify the molecule CCCc1cc(CCl)cc(N(CC)Cc2ccccn2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1cc(CCl)cc(N(CC)Cc2ccccn2)n1 | CCCc1cc(CCl)cc(N(CC)Cc2ncccc2O)n1 | hydroxyl | null |
9fa792e4-c19c-42b0-bc43-7301e1eddd60 | add | Please add a hydroxyl to the molecule Cc1cncc(CNC(=O)CCN2CCCS2(=O)=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cncc(CNC(=O)CCN2CCCS2(=O)=O)c1. | Cc1cncc(C(O)NC(=O)CCN2CCCS2(=O)=O)c1 | hydroxyl | null |
cf9cb97c-6d1c-4753-9889-4eb13d300e64 | add | Please add a amine to the molecule [NH3+]C1CN(C(=O)NC2CCC[NH2+]C2)CC1c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C1CN(C(=O)NC2CCC[NH2+]C2)CC1c1ccccc1. | NC1CCC(NC(=O)N2CC([NH3+])C(c3ccccc3)C2)C[NH2+]1 | amine | null |
dcc01e2e-1688-4172-8f14-010f306100b7 | add | Please add a amine to the molecule Nc1ccccc1OCCC(=O)N1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | Nc1ccccc1OCCC(=O)N1CCCC1. | Nc1cccc(OCCC(=O)N2CCCC2)c1N | amine | null |
3315b7b2-e53b-4615-92ba-a0ab66b861d4 | add | Please add a benzene ring to the molecule O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1. | O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1c1ccccc1 | benzene | null |
c352e9f6-bb2f-49b9-a8ff-bde47fccc2ba | add | Modify the molecule N#CC1CCCCC1N(CCO)Cc1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CC1CCCCC1N(CCO)Cc1ccccc1 | N#CC1C(c2ccccc2)CCCC1N(CCO)Cc1ccccc1 | benzene | null |
4aa6e823-1b94-4a50-a247-bb434d76c857 | add | Modify the molecule COc1ccc(NC(=O)OC(C)(C)C)c(N)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(NC(=O)OC(C)(C)C)c(N)c1 | COc1c(O)ccc(NC(=O)OC(C)(C)C)c(N)c1 | hydroxyl | null |
393467b8-70ca-41cb-8a0f-cc89b122ca08 | add | Modify the molecule C=CC=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CC=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1 | C=CC(=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1)CC=O | aldehyde | null |
096118dc-cd31-42ea-9d9c-c6f5d94bca94 | add | Please add a benzene ring to the molecule O=S(=O)(Nc1cccc(F)c1F)c1ccc(Br)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=S(=O)(Nc1cccc(F)c1F)c1ccc(Br)c(Cl)c1. | O=S(=O)(Nc1cccc(F)c1F)c1cc(Cl)c(Br)c(-c2ccccc2)c1 | benzene | null |
7490310d-36c7-45e6-b322-9545d4792ae9 | add | Please add a hydroxyl to the molecule C=C(C)C[NH+]1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | C=C(C)C[NH+]1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1. | C=C(C)C[NH+]1CCN(C(=O)C(CO)N2C(=O)c3ccccc3C2=O)CC1 | hydroxyl | null |
f358c7dd-afab-4af2-be47-f513670eb931 | add | Please add a hydroxyl to the molecule O=C(NC1CCCc2ccccc21)c1ccc2nc[nH]c2c1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NC1CCCc2ccccc21)c1ccc2nc[nH]c2c1. | O=C(NC1CCCc2ccccc21)c1cc2[nH]cnc2cc1O | hydroxyl | null |
66ff9806-1ecf-4236-8a36-274915e5df5d | add | Modify the molecule CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1 | CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1C(=O)O | carboxyl | null |
5fbfb638-8dff-4a8b-b5e0-1b044593bf1a | add | Please add a aldehyde to the molecule CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1. | CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc(C)c(OC)c(CC=O)c1 | aldehyde | null |
49e1e4a6-cb93-45ad-9f11-d14eae788db0 | add | Please add a benzene ring to the molecule CS(=O)C(=Cc1ccccc1)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)C(=Cc1ccccc1)S(C)(=O)=O. | CS(=O)C(=Cc1ccccc1-c1ccccc1)S(C)(=O)=O | benzene | null |
a548bcc4-dd9f-49a2-bffd-46213e24731a | add | Please add a hydroxyl to the molecule O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1. | O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1O | hydroxyl | null |
e5c0fa20-d9da-4ee9-951c-be9f4d4ba4f2 | add | Modify the molecule Cc1cc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n(C)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n(C)n1 | Cc1nn(C)c(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c1-c1ccccc1 | benzene | null |
ddbd8b74-d3e4-462b-ac3e-bf55d414fa4d | add | Modify the molecule CCCCCC(C)[NH2+]Cc1cc(CC)no1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCC(C)[NH2+]Cc1cc(CC)no1 | CCCCCC(C)[NH2+]Cc1cc(CCO)no1 | hydroxyl | null |
f74691dd-b1de-46b9-b7fd-9a100e3d2842 | add | Modify the molecule CCN(CC)C1(C#N)CC[NH+](C)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(CC)C1(C#N)CC[NH+](C)CC1 | CCN(CCO)C1(C#N)CC[NH+](C)CC1 | hydroxyl | null |
b9560f55-ea45-4cb3-b17c-d4bc37512289 | add | Please add a hydroxyl to the molecule Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5ccccc5n6C)c4)c3c2=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5ccccc5n6C)c4)c3c2=O)cc1. | Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5c(O)cccc5n6C)c4)c3c2=O)cc1 | hydroxyl | null |
e221da83-5206-4631-8d49-866de0f7aa87 | add | Please add a amine to the molecule CCC(C)C(C)([NH3+])CC1CC2CCC1C2.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)C(C)([NH3+])CC1CC2CCC1C2. | CCC(C)C(C)([NH3+])CC1(N)CC2CCC1C2 | amine | null |
0c653e25-7874-401c-85b5-243f7cbc2e6f | add | Please add a hydroxyl to the molecule CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3ccccc3)CN(C=O)OCc3ccccc3)o2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3ccccc3)CN(C=O)OCc3ccccc3)o2)c1. | CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3cccc(O)c3)CN(C=O)OCc3ccccc3)o2)c1 | hydroxyl | null |
336ef415-6e21-4daf-927d-bf5f28bb3637 | add | Please add a hydroxyl to the molecule Clc1ccnc2c1ccc1ncncc12.
Please wrap the final SMILES in <smiles>...</smiles>. | Clc1ccnc2c1ccc1ncncc12. | Oc1cc2ncncc2c2nccc(Cl)c12 | hydroxyl | null |
39632754-b90f-4215-bb2c-10a9477c8b8a | add | Please add a hydroxyl to the molecule O=C1CCC(=O)[N+]1(O)Cc1cccc(C[N+]2(O)C(=O)CCC2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1CCC(=O)[N+]1(O)Cc1cccc(C[N+]2(O)C(=O)CCC2=O)c1. | O=C1CCC(=O)[N+]1(O)Cc1cc(O)cc(C[N+]2(O)C(=O)CCC2=O)c1 | hydroxyl | null |
1215a558-07bc-43f0-ab98-ba60f9595684 | add | Modify the molecule CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1 | CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1-c1ccccc1 | benzene | null |
be5290b1-34f8-44a3-8bd0-6551274f6cfa | add | Modify the molecule CCNC(C#N)c1ccccc1COC by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(C#N)c1ccccc1COC | CCNC(C#N)c1ccc(S)cc1COC | thiol | null |
77cb67f8-43b0-4801-92c8-bd53dbbf439b | add | Please add a benzene ring to the molecule COCCn1ncc(Cl)c1C(=O)C1CCCCC1C[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>. | COCCn1ncc(Cl)c1C(=O)C1CCCCC1C[NH3+]. | [NH3+]CC1CCCCC1C(=O)c1c(Cl)cnn1CCOCc1ccccc1 | benzene | null |
f818da98-ce8b-4852-901c-dd276d7f62e7 | add | Modify the molecule CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1csc(CC)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1csc(CC)n1 | CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1nc(CC)sc1O | hydroxyl | null |
cb2245d1-9424-4790-992c-650a534ac323 | add | Please add a nitrile to the molecule CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)C. | CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)CC#N | nitrile | null |
53ee0fb1-7c55-4472-84d2-abfb6e3d10ce | add | Modify the molecule [NH3+]C(CCO)CSCc1ccco1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C(CCO)CSCc1ccco1 | [NH3+]C(CSCc1ccco1)CC(O)O | hydroxyl | null |
a6682d0d-641e-4747-b8a1-b13855b5cf04 | add | Please add a hydroxyl to the molecule CC(C)Oc1ncccc1CNC(=O)C(C)n1cccn1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)Oc1ncccc1CNC(=O)C(C)n1cccn1. | CC(C)Oc1nccc(O)c1CNC(=O)C(C)n1cccn1 | hydroxyl | null |
c10c7c75-9516-4641-a4e2-c5b77eb4ca9e | add | Modify the molecule Cc1cc(=O)nc(NCCOC(C)C)[nH]1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(=O)nc(NCCOC(C)C)[nH]1 | CC(C)OCCNc1nc(=O)cc(CO)[nH]1 | hydroxyl | null |
708a2881-fb2f-45e4-9199-48c7dd35defd | add | Please add a hydroxyl to the molecule CCCC=CC=CCC=CCC=CCC=CCCCCC(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC=CC=CCC=CCC=CCC=CCCCCC(=O)OC. | CCCC=CC=CCC=CCC=CCC=CCC(O)CCC(=O)OC | hydroxyl | null |
47721e39-ba12-40ca-bc5f-296235f95341 | add | Please add a carboxyl to the molecule CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1. | CSc1cc(C(=O)O)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 | carboxyl | null |
6dd69910-fc6d-498a-946b-93a41c0fa077 | add | Please add a hydroxyl to the molecule CC(C)(C)NC(=O)OC1C=CCC([NH3+])CCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)NC(=O)OC1C=CCC([NH3+])CCC1. | CC(C)(C)NC(=O)OC1C=CC(O)C([NH3+])CCC1 | hydroxyl | null |
92c5be41-e2d6-4121-bc5c-1bafcfc294dd | add | Modify the molecule CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1 | CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)C(N)C2)nc1 | amine | null |
ee4503ca-6230-4b31-a879-1866cb60fee3 | add | Please add a hydroxyl to the molecule O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCCC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCCC2)C1. | O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCC(O)C2)C1 | hydroxyl | null |
3c486bd4-599e-40b2-8fb2-c82b7f22c82a | add | Please add a amine to the molecule C[NH+]=C(NCc1ncc(C)s1)NC1CC1c1ccccc1F.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]=C(NCc1ncc(C)s1)NC1CC1c1ccccc1F. | C[NH+]=C(NCc1ncc(C)s1)NC1C(N)C1c1ccccc1F | amine | null |
f4d2128e-4c88-41cb-b88c-3b4c12169689 | add | Please add a hydroxyl to the molecule CC1CC(C)CN(C(=O)N2CCCC(NC(=O)c3ccc(F)c(F)c3)C2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CC(C)CN(C(=O)N2CCCC(NC(=O)c3ccc(F)c(F)c3)C2)C1. | CC1CC(C)CN(C(=O)N2CCCC(O)(NC(=O)c3ccc(F)c(F)c3)C2)C1 | hydroxyl | null |
45880238-ca09-4362-a4ab-df1a0464c021 | add | Modify the molecule COC(=O)C(CC(C)C)(C(=O)OC)C1CCCCC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C(CC(C)C)(C(=O)OC)C1CCCCC1 | COC(=O)C(CC(C)C)(C(=O)OC)C1CCCC(CC=O)C1 | aldehyde | null |
5eaf0b25-62fc-41ad-a26f-eaaaaaac9835 | add | Modify the molecule CCOC(=O)Cc1ccc(C#N)cc1C(=O)C(C)Br by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)Cc1ccc(C#N)cc1C(=O)C(C)Br | CCOC(=O)Cc1ccc(C#N)c(C(=O)O)c1C(=O)C(C)Br | carboxyl | null |
98372371-7059-4351-bb00-a70e7f65b160 | add | Please add a carboxyl to the molecule COC(=O)c1cc(OC(F)F)c(F)cc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)c1cc(OC(F)F)c(F)cc1C#N. | COC(=O)c1c(C#N)cc(F)c(OC(F)F)c1C(=O)O | carboxyl | null |
763eba5a-fc65-4ef3-bf65-8679b45febe0 | add | Please add a benzene ring to the molecule CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CCO1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CCO1. | CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CC(c2ccccc2)O1 | benzene | null |
7d66b025-da53-4bf1-9a5c-fe22496cf548 | add | Please add a benzene ring to the molecule C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1. | C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2-c2ccccc2)CC1 | benzene | null |
d2210cb7-2126-4d5a-b28b-d950da7eea14 | add | Modify the molecule Cc1nccn1Cc1nnc(C2CCCN(C(=O)c3cc[nH]c3)C2)n1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1nccn1Cc1nnc(C2CCCN(C(=O)c3cc[nH]c3)C2)n1C | Cc1nccn1Cc1nnc(C2(O)CCCN(C(=O)c3cc[nH]c3)C2)n1C | hydroxyl | null |
49508904-2750-439e-b958-0cf0ba7a3ac2 | add | Please add a hydroxyl to the molecule CC(=O)C1(Br)CCCCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)C1(Br)CCCCC1=O. | CC(=O)C1(Br)CC(O)CCC1=O | hydroxyl | null |
18235887-46a6-4645-9aba-b09d677251c9 | add | Modify the molecule Cc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1 | O=CCCc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1 | aldehyde | null |
c604e122-4344-4049-bed9-f66eda5480c7 | add | Please add a benzene ring to the molecule Cc1cc(=O)cc(C)n1-c1cc(Br)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(=O)cc(C)n1-c1cc(Br)ccn1. | Cc1cc(=O)cc(Cc2ccccc2)n1-c1cc(Br)ccn1 | benzene | null |
43dffcf5-80a0-4e2b-b195-c4700dc97d2c | add | Please add a hydroxyl to the molecule C#CCCC([NH3+])C(OC)C1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | C#CCCC([NH3+])C(OC)C1CCCCC1. | C#CCCC([NH3+])C(O)C1CCCCC1 | hydroxyl | null |
421d5ec0-388e-4a37-9b9c-4ba1e404645f | add | Modify the molecule CCC1(C)CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1(C)CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 | CCC1(C)CCN(S(=O)(=O)c2c(C)ccc(Br)c2CC=O)CC1 | aldehyde | null |
b3ad8a26-270c-4a81-a3e3-8bfb60042b1f | add | Modify the molecule CC(=O)N1CC[NH+](Cc2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)N1CC[NH+](Cc2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1 | CC(=O)N1CC[NH+](C(O)c2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1 | hydroxyl | null |
ab2dc671-e303-4870-b668-1038d2daabd6 | add | Please add a benzene ring to the molecule CC(=O)NCC(CCl)OC(=O)OCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)NCC(CCl)OC(=O)OCc1ccccc1. | O=C(Cc1ccccc1)NCC(CCl)OC(=O)OCc2ccccc2 | benzene | null |
35a77508-0bb5-4bce-9360-a04fcabde132 | add | Please add a benzene ring to the molecule OC(CC1CCOc2ccccc21)C(O)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | OC(CC1CCOc2ccccc21)C(O)C1CC1. | OC(CC1CCOc2cc(-c3ccccc3)ccc21)C(O)C1CC1 | benzene | null |
f1f8823b-71e3-4606-b6a8-604b905c9b56 | add | Please add a benzene ring to the molecule Cc1ccc(C)n1NC1CCCC1O.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C)n1NC1CCCC1O. | Cc1cc(-c2ccccc2)c(C)n1NC1CCCC1O | benzene | null |
8dd25b2d-5ee6-42df-968a-439dc58ea044 | add | Modify the molecule CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])CC1 | CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])C(O)C1 | hydroxyl | null |
2dd25410-94cb-4205-bab6-ded20a6ade3f | add | Please add a benzene ring to the molecule CCCCCCCCCCC(O)C[NH2+]CCCCC([NH3+])C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCCCCC(O)C[NH2+]CCCCC([NH3+])C(=O)[O-]. | [NH3+]C(CCCC[NH2+]CC(O)CCCCCCCCCCc1ccccc1)C(=O)[O-] | benzene | null |
7fe0c6c2-6eb7-4990-9324-41f667b19c41 | add | Modify the molecule CCCc1cc(C(C)=O)ccc1OCc1ccc(C(=O)[O-])cc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1cc(C(C)=O)ccc1OCc1ccc(C(=O)[O-])cc1OC | COc1cc(C(=O)[O-])ccc1COc1ccc(C(C)=O)cc1CCCc1ccccc1 | benzene | null |
355cb3af-19d1-41e3-8570-7a1de1bba2ed | add | Please add a benzene ring to the molecule O=C(CCC(=O)N1CC[NH2+]CC1)NCc1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CCC(=O)N1CC[NH2+]CC1)NCc1ccco1. | O=C(NCc1ccco1)C(CC(=O)N1CC[NH2+]CC1)c1ccccc1 | benzene | null |
429fd4eb-517e-461f-bc4c-3b0efaffae1e | add | Please add a carboxyl to the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2c[nH]c3ccccc23)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2c[nH]c3ccccc23)cc1OC. | CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)(C)C(=O)O)cc3)C2c2c[nH]c3ccccc23)cc1OC | carboxyl | null |
76f2a37b-7705-450a-8cdb-2baf8808d51c | add | Please add a benzene ring to the molecule CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1)NCCCCC(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1)NCCCCC(=O)OC. | CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1c1ccccc1)NCCCCC(=O)OC | benzene | null |
c4047406-cfce-454d-95ce-3fa7ce1825b9 | add | Please add a benzene ring to the molecule CCOC(C)(CC)c1[nH+]c(O)cn1C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(C)(CC)c1[nH+]c(O)cn1C. | CCOC(C)(c1[nH+]c(O)cn1C)C(C)c1ccccc1 | benzene | null |
1dcdc23b-c574-4493-a40c-480a504094db | add | Modify the molecule N#CCNC(=O)c1ccc(N)cn1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CCNC(=O)c1ccc(N)cn1 | N#CC(CC=O)NC(=O)c1ccc(N)cn1 | aldehyde | null |
67c9f6a2-cd75-40e8-b70f-ff474f1314c2 | add | Modify the molecule N#CC(NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CC(NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | N#CC(NCc1c(-c2c(F)cccc2F)ccnc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | hydroxyl | null |
0c6d1bc4-9c55-4776-b4fc-ae068f8eb3b8 | add | Please add a benzene ring to the molecule CCNC(NCCCNC(=O)c1cccc(O)c1)=[NH+]Cc1ccc(C)cc1OCC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(NCCCNC(=O)c1cccc(O)c1)=[NH+]Cc1ccc(C)cc1OCC. | CCOc1cc(C)ccc1C[NH+]=C(NCCCNC(=O)c1cccc(O)c1)NCCc1ccccc1 | benzene | null |
dab7d864-9437-4578-bb34-0a3e1dece6ec | add | Please add a carboxyl to the molecule Cn1c(=O)nc2n(CCc3ccccc3)c3ccccc3nc-2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1c(=O)nc2n(CCc3ccccc3)c3ccccc3nc-2c1=O. | Cn1c(=O)nc2n(CC(C(=O)O)c3ccccc3)c3ccccc3nc-2c1=O | carboxyl | null |
d721f0ac-da81-425f-8eb7-4468dbdee50e | add | Please add a hydroxyl to the molecule CN(CC1CC(O)C1)c1ccc(C(N)=S)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(CC1CC(O)C1)c1ccc(C(N)=S)c(Cl)c1. | CN(CC1(O)CC(O)C1)c1ccc(C(N)=S)c(Cl)c1 | hydroxyl | null |
3e3e2d1d-5737-4256-ad1a-1f8fde8f5e9b | add | Please add a amine to the molecule C[Si](C)(C)c1ccc(CC(=O)OCCc2cnccn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[Si](C)(C)c1ccc(CC(=O)OCCc2cnccn2)cc1. | C[Si](C)(C)c1ccc(CC(=O)OCCc2cnc(N)cn2)cc1 | amine | null |
345b970c-30fa-4e72-9956-37ac907ae6df | add | Modify the molecule CC1CCCC1[NH2+]CCCO by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCCC1[NH2+]CCCO | CC1(O)CCCC1[NH2+]CCCO | hydroxyl | null |
02517dff-9823-4f2f-b25e-9d5a13ad7d2f | add | Modify the molecule Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)NC5CCCCC5C)ccc4C)CC3)cc2C)c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)NC5CCCCC5C)ccc4C)CC3)cc2C)c1 | Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)NC5CCCCC5C)ccc4C)C(CC=O)C3)cc2C)c1 | aldehyde | null |
5e0c9d7a-2762-411e-a7c8-eb9f6a787dbd | add | Please add a benzene ring to the molecule C[NH+]1CCN(C(=O)c2cccc(-c3cccc(CC(NC(=O)C4CCC(CNC(=O)OC(C)(C)C)CC4)C(=O)Nc4ccc(-c5n[nH]c(Cl)n5)cc4)c3)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCN(C(=O)c2cccc(-c3cccc(CC(NC(=O)C4CCC(CNC(=O)OC(C)(C)C)CC4)C(=O)Nc4ccc(-c5n[nH]c(Cl)n5)cc4)c3)c2)CC1. | C[NH+]1CCN(C(=O)c2cccc(-c3cccc(CC(NC(=O)C4CCC(CNC(=O)OC(C)(C)C)CC4)C(=O)Nc4ccc(-c5n[nH]c(Cl)n5-cc4-c4ccccc4)cc4)c3)c2)CC1 | benzene | null |
fca4373c-5ade-4815-aa07-6f946899ba8f | add | Modify the molecule CC1COC2C(Oc3nc4c(F)c(-c5ccc(-c6ccccc6)cc5)c(F)cc4[nH]3)COC12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1COC2C(Oc3nc4c(F)c(-c5ccc(-c6ccccc6)cc5)c(F)cc4[nH]3)COC12 | CC1COC2C(Oc3nc4c(F)c(-c5ccc(-c6ccccc6)cc5)c(F)c(O)c4[nH]3)COC12 | hydroxyl | null |
7b1aceba-ee81-493c-ba58-f258d4feaed6 | add | Modify the molecule CCn1c(C(=O)[O-])c[nH+]c1-c1cccc(-c2cccc(C)c2OCc2ccc3c(c2)CC[NH+](C2CCOCC2)C3)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCn1c(C(=O)[O-])c[nH+]c1-c1cccc(-c2cccc(C)c2OCc2ccc3c(c2)CC[NH+](C2CCOCC2)C3)n1 | CCn1c(C(=O)[O-])c[nH+]c1-c1cccc(-c2ccc(O)c(C)c2OCc2ccc3c(c2)CC[NH+](C2CCOCC2)C3)n1 | hydroxyl | null |
c97a0013-24c1-47e5-af71-6a33feb6cafe | add | Modify the molecule CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)Cc2ccccc2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)Cc2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2c(OC)cccc2C(=O)O)Cc2ccccc2)cc1 | carboxyl | null |
585f3610-7c20-4248-b3d8-edabfc3adff5 | add | Please add a carboxyl to the molecule C[NH+]=C(NCC[NH+]1CCN(C(=O)C2CCCC2)CC1)NCc1ccsc1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]=C(NCC[NH+]1CCN(C(=O)C2CCCC2)CC1)NCc1ccsc1. | C[NH+]=C(NCC[NH+]1CCN(C(=O)C2CCCC2)CC1C(=O)O)NCc1ccsc1 | carboxyl | null |
7aa85203-f3ef-4ca2-bb85-7c806e968b83 | add | Modify the molecule COCC[NH+](Cc1ccccc1)CC1(C)CC[NH2+]C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COCC[NH+](Cc1ccccc1)CC1(C)CC[NH2+]C1 | CC1(C[NH+](CCOCc2ccccc2)Cc2ccccc2)CC[NH2+]C1 | benzene | null |
8c6f5fcd-865f-42f0-9e0e-9f4b5cae2374 | add | Modify the molecule CCC1NC(=O)CN(Cc2cscc2C)C1=O by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1NC(=O)CN(Cc2cscc2C)C1=O | CCC1NC(=O)CN(Cc2csc(C(=O)O)c2C)C1=O | carboxyl | null |
e9b5f601-0ff9-4261-88c6-7a104591d341 | add | Modify the molecule COc1ccc(C(O)C2CCC[NH2+]2)cc1NC(C)=O by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(O)C2CCC[NH2+]2)cc1NC(C)=O | CC(=O)Nc1cc(C(O)C2CCC[NH2+]2)ccc1OCC(=O)O | carboxyl | null |
bd578add-3365-487b-a6ed-71105c40dc2c | add | Please add a benzene ring to the molecule CC[NH2+]C(C)C(C)(C)CN1CCS(=O)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH2+]C(C)C(C)(C)CN1CCS(=O)CC1. | CC([NH2+]CCc1ccccc1)C(C)C(C)(C)CN1CCS(=O)CC1 | benzene | null |
6f4c54ac-049e-4090-ab9f-6fb054262178 | add | Modify the molecule Cc1ccc(C(=O)N2CCOCC2c2[nH]ncc2S(C)(=O)=O)s1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)N2CCOCC2c2[nH]ncc2S(C)(=O)=O)s1 | Cc1ccc(C(=O)N2CC(C(=O)O)OCC2c2[nH]ncc2S(C)(=O)=O)s1 | carboxyl | null |
9adcc156-8e01-4fd8-852c-794d70f49042 | add | Modify the molecule CCCCCCSC(C)CCCl by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCSC(C)CCCl | CCCCCCSC(C)(CCCl)c1ccccc1 | benzene | null |
57e36710-47c6-4f85-9cf5-6f256408e140 | add | Modify the molecule CC[NH2+]CC(COC)OCC1CCOC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH2+]CC(COC)OCC1CCOC1 | CC[NH2+]CC(OCC1CCOC1)C(OC)c1ccccc1 | benzene | null |
7e76dbeb-8d9a-4c1a-a345-a54560b8dc48 | add | Please add a hydroxyl to the molecule CC1CCCCN1C(=O)C[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCCCN1C(=O)C[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1. | Cn1cccc(C(=O)N2CC[NH+](CC(=O)N3CCCCC3(C)O)CC2)c1=O | hydroxyl | null |
1d8df281-02bf-4805-9012-6e985e50d56b | add | Please add a benzene ring to the molecule O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)nc(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)nc(Cl)c1. | O=C(NCc1ccc(OCc2cncc(-c3ccccc3)c2)cc1)c1cc(Cl)nc(Cl)c1 | benzene | null |
01bd4762-a9c0-4e67-86ff-13fe37021513 | add | Please add a thiol to the molecule CS(=O)(=O)Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1. | CS(=O)(=O)Cc1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1S | thiol | null |
39be956d-e3fb-4cb6-b9f1-5600d44a9505 | add | Modify the molecule CN(CC(=O)NCC(O)C(N)=O)C(=O)c1ccco1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(CC(=O)NCC(O)C(N)=O)C(=O)c1ccco1 | CN(C(=O)c1ccco1)C(S)C(=O)NCC(O)C(N)=O | thiol | null |
ffa8755d-5a93-46a7-bd98-d6b173fa6a70 | add | Modify the molecule CC(C)(C)C(CCC(N)=O)(NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)C(=O)[O-] by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)C(CCC(N)=O)(NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)C(=O)[O-] | CC(C)(C)C(NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)(C(=O)[O-])C(N)CC(N)=O | amine | null |
ed70fb7e-b99a-445d-a9a4-231c69e1fa8c | add | Modify the molecule COC(=O)C1=CCC(P)CC=C1[N+](=O)[O-] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C1=CCC(P)CC=C1[N+](=O)[O-] | COC(=O)C1=C(O)CC(P)CC=C1[N+](=O)[O-] | hydroxyl | null |
942fb998-84fe-4f48-978a-d0f22022f63d | add | Please add a benzene ring to the molecule CCC(CC)(C[NH3+])C(=O)NCC(c1ccco1)[NH+](C)C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CC)(C[NH3+])C(=O)NCC(c1ccco1)[NH+](C)C. | CCC(CC)(C[NH3+])C(=O)NCC(c1ccco1)[NH+](C)Cc1ccccc1 | benzene | null |
3faad370-277e-40f8-a739-f6925da77fe4 | add | Modify the molecule CCC(C)NC(=O)CCNc1nnnn1C by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)NC(=O)CCNc1nnnn1C | CC(CC=O)C(C)NC(=O)CCNc1nnnn1C | aldehyde | null |
4ac7c1f4-83e8-4502-bd84-aa7d6010f40d | add | Please add a benzene ring to the molecule COCCC(C)NS(=O)(=O)CCO.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCC(C)NS(=O)(=O)CCO. | COC(CC(C)NS(=O)(=O)CCO)c1ccccc1 | benzene | null |
0550d210-a4f6-4582-b331-e74228557968 | add | Modify the molecule CN(c1ccccc1-c1ccc2c(c1)Nc1cc(C(=O)NCCCN3CCCC3=O)ccc1NC2=O)S(C)(=O)=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(c1ccccc1-c1ccc2c(c1)Nc1cc(C(=O)NCCCN3CCCC3=O)ccc1NC2=O)S(C)(=O)=O | CN(c1ccccc1-c1ccc2c(c1)Nc1cc(C(=O)NCCC(c3ccccc3)N3CCCC3=O)ccc1NC2=O)S(C)(=O)=O | benzene | null |
64705bf4-d504-4f8c-aaa8-9079c86aaa3d | add | Modify the molecule CCNC(=O)Nc1cccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(=O)Nc1cccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 | CCNC(=O)Nc1cccc(NC(=O)CCC(Oc2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1 | benzene | null |
beaeeefc-1be9-476b-959b-9f5d80300cc0 | add | Modify the molecule COCCN1CCOc2cc3c(c(C)c21)C(C)C[NH2+]CC3 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCN1CCOc2cc3c(c(C)c21)C(C)C[NH2+]CC3 | COCC(C(=O)O)N1CCOc2cc3c(c(C)c21)C(C)C[NH2+]CC3 | carboxyl | null |
0a13c722-13dd-4ab4-9825-d7e4c652d890 | add | Modify the molecule COC(=O)C1CCCCN1C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnc(OC)cc4n3)cc2)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C1CCCCN1C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnc(OC)cc4n3)cc2)c(Cl)c1 | COC(=O)C1CCC(c2ccccc2)CN1C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnc(OC)cc4n3)cc2)c(Cl)c1 | benzene | null |
2440bcd8-838d-4c6b-bb56-7a0311bf4b36 | add | Please add a carboxyl to the molecule c1c[nH]c(-c2ccc3sccc3c2)n1.
Please wrap the final SMILES in <smiles>...</smiles>. | c1c[nH]c(-c2ccc3sccc3c2)n1. | O=C(O)c1cc(-c2ncc[nH]2)cc2ccsc12 | carboxyl | null |
85020466-803f-4737-9c53-467689db0104 | add | Please add a benzene ring to the molecule COc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1. | COc1cncc(-c2cc(NC3(c4ccccc4)CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1 | benzene | null |
0b50fd4a-5594-4706-9ee2-0f77fa9584e3 | add | Please add a hydroxyl to the molecule O=C(NC1CC2CCC1[NH2+]2)c1cc2ccccc2cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NC1CC2CCC1[NH2+]2)c1cc2ccccc2cn1. | O=C(NC1CC2CCC1[NH2+]2)c1cc2cccc(O)c2cn1 | hydroxyl | null |
89b45a04-929a-4377-b67c-46210c36874c | add | Modify the molecule CS(=O)(=O)OCC1CCN(c2cc[nH+]cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)OCC1CCN(c2cc[nH+]cc2)CC1 | CS(=O)(=O)OC(O)C1CCN(c2cc[nH+]cc2)CC1 | hydroxyl | null |
40a73c6d-4236-42ff-b2ab-c3caeae1fb3b | add | Modify the molecule O=C(NC1CC(C(=O)[O-])C1)c1cncc(-c2ccc3c(c2)CCO3)c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NC1CC(C(=O)[O-])C1)c1cncc(-c2ccc3c(c2)CCO3)c1 | O=CCC1(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC(C(=O)[O-])C1 | aldehyde | null |
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