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 |
|---|---|---|---|---|---|---|
bbb6990a-1b47-4720-94cb-82404d8f454a | add | Please add a carboxyl to the molecule Cn1ccnc1CN1CCCc2cc(C(=O)[O-])ccc21.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1ccnc1CN1CCCc2cc(C(=O)[O-])ccc21. | Cn1ccnc1CN1CCCc2c1ccc(C(=O)[O-])c2C(=O)O | carboxyl | null |
26518ddf-fce0-4be3-9d86-f6c6061a5a1f | add | Modify the molecule O=C1[NH+]=C(CCc2cccc(F)c2)NC1=Cc1ccc(Br)cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1[NH+]=C(CCc2cccc(F)c2)NC1=Cc1ccc(Br)cc1 | O=CCc1cc(Br)ccc1C=C1NC(CCc2cccc(F)c2)=[NH+]C1=O | aldehyde | null |
a5c008fa-bcab-4aa9-8c55-7857294208af | add | Modify the molecule O=C(c1cccc2ccccc12)N1CC[NH+](Cc2ccccc2Br)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(c1cccc2ccccc12)N1CC[NH+](Cc2ccccc2Br)CC1 | O=C(c1cccc2ccc(-c3ccccc3)cc12)N1CC[NH+](Cc2ccccc2Br)CC1 | benzene | null |
86f1ce53-dff5-480d-9082-2d303f0db32a | add | Please add a hydroxyl to the molecule COc1ccccc1CC(=O)c1cc(Br)ccc1Br.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccccc1CC(=O)c1cc(Br)ccc1Br. | COc1ccc(O)cc1CC(=O)c1cc(Br)ccc1Br | hydroxyl | null |
f59949a4-9d47-4664-bfb6-c267c1b766e4 | add | Modify the molecule CC(C)c1cnc(N(C)C)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)c1cnc(N(C)C)c(Cl)c1 | CN(C)c1ncc(C(C)(C)c2ccccc2)cc1Cl | benzene | null |
4e07c706-5f63-4b81-babc-8ffc9fb3cf02 | add | Modify the molecule O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCCO2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCCO2)cc1 | O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCC(c3ccccc3)O2)cc1 | benzene | null |
3ba532f2-d991-4a22-ae72-8a5504319c6b | add | Modify the molecule CC1CCC(C(C)(C)Cc2ccc(F)c(Cl)c2)C(=O)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCC(C(C)(C)Cc2ccc(F)c(Cl)c2)C(=O)C1 | CC1CCC(C(C)(C)Cc2cc(O)c(F)c(Cl)c2)C(=O)C1 | hydroxyl | null |
4b2e644e-8722-4a52-a6c4-ca977ad74bec | add | Please add a benzene ring to the molecule CCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1. | CCCCN(C(=O)c1cc(Cl)c(Cl)cc1-c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1 | benzene | null |
8a12ce5f-4ee6-4883-ae6e-5650f862f7aa | add | Modify the molecule CC(CCC(=O)[O-])[NH2+]Cc1cscn1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(CCC(=O)[O-])[NH2+]Cc1cscn1 | CC([NH2+]Cc1cscn1)C(CC(=O)[O-])c1ccccc1 | benzene | null |
4cda2005-0e42-4fbc-a202-db06c0feeacc | add | Modify the molecule Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)cn1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)cn1 | Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)c(-c2ccccc2)n1 | benzene | null |
160eb2a4-b2a1-4033-9a27-fbbd0f6530ad | add | Modify the molecule O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)c(O)c2)CC1 | hydroxyl | null |
d9a4688a-f06b-4c9d-bdaf-adcec9c46239 | add | Please add a benzene ring to the molecule Nc1cnn(CC(=O)NCCC2CCCCO2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Nc1cnn(CC(=O)NCCC2CCCCO2)c1. | Nc1cnn(CC(=O)NCCC2(c3ccccc3)CCCCO2)c1 | benzene | null |
3973bedf-f6af-4cb2-9a9c-9feb4ffedb2f | add | Please add a hydroxyl to the molecule CCC(C)(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2. | CCC(C)(C)C(=O)OCCC1C2CC3(O)C(=O)OC1C3O2 | hydroxyl | null |
3c979fd3-4d4f-4ef1-90ad-e7455793b739 | add | Modify the molecule O=c1nc(C[NH+]2CCOC3(CCCC3)C2)[nH]c2c1oc1ccccc12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=c1nc(C[NH+]2CCOC3(CCCC3)C2)[nH]c2c1oc1ccccc12 | O=c1nc(C[NH+]2CC3(CCCC3)OCC2O)[nH]c2c1oc1ccccc12 | hydroxyl | null |
d4b8267c-efda-4164-9fa6-33ad9b5b6e09 | add | Please add a benzene ring to the molecule C[NH+]1CCCC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCCC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12. | C[NH+]1CC(c2ccccc2)CC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12 | benzene | null |
32e5b8a1-2f41-4aff-ac69-8aacb1ee59ed | add | Please add a carboxyl to the molecule NS(=O)(=O)c1cccc(Cl)c1CCCCO.
Please wrap the final SMILES in <smiles>...</smiles>. | NS(=O)(=O)c1cccc(Cl)c1CCCCO. | NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1CCCCO | carboxyl | null |
273bc69e-7b8c-4d28-8d82-b70c831475c8 | add | Please add a benzene ring to the molecule Nc1cccc(CC2(F)CCS(=O)(=O)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | Nc1cccc(CC2(F)CCS(=O)(=O)CC2)c1. | Nc1cccc(C(c2ccccc2)C2(F)CCS(=O)(=O)CC2)c1 | benzene | null |
797ea6ed-3d00-4be3-b1f8-61a2efdcbd8d | add | Modify the molecule CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)sc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)sc21 | CNC(=O)Cn1c(=O)nc(-c2cccc(O)c2)c2cc(Cl)sc21 | hydroxyl | null |
b0a336d1-ee40-4f3c-a6d8-68575e35bc5e | add | Modify the molecule CCCC1CC(O)(c2ccc3nc(C)ccc3c2)CCO1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC1CC(O)(c2ccc3nc(C)ccc3c2)CCO1 | CCCC1CC(O)(c2ccc3nc(C)ccc3c2)C(O)CO1 | hydroxyl | null |
b1e7e752-2fd3-4ae0-a5c6-90ff934bb4a0 | add | Please add a benzene ring to the molecule CC(C)COS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)COS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12. | CC(C)C(OS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12)c1ccccc1 | benzene | null |
7c98f2f7-bfd7-482d-8a64-d82b0134ffe7 | add | Modify the molecule CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C5=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C5=O | CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCC(C)c1ccccc1)C5=O | benzene | null |
62b258f6-0d6a-4bec-b6cc-23f63ec230a9 | add | Please add a aldehyde to the molecule N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1. | N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1CC=O | aldehyde | null |
f1f8411d-4247-44ab-ba30-eb01740500b8 | add | Modify the molecule O=Cc1ccc(O)c(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | O=Cc1ccc(O)c(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 | NC(=Cc1cc(C=O)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | amine | null |
87155ea9-ec0b-4c4e-8400-de9742342347 | add | Please add a benzene ring to the molecule COCCOCCNc1cc(Cl)ccc1N.
Please wrap the final SMILES in <smiles>...</smiles>. | COCCOCCNc1cc(Cl)ccc1N. | Nc1ccc(Cl)cc1NCCOCCOCc1ccccc1 | benzene | null |
0e693464-5be0-45d1-8275-0fdf67ab1b6e | add | Modify the molecule CNc1nc(C)cc(OCCOc2ccccc2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CNc1nc(C)cc(OCCOc2ccccc2)n1 | CNc1nc(C)cc(OCC(O)Oc2ccccc2)n1 | hydroxyl | null |
6f6e83d6-ccf2-41e6-acbc-116747e96e94 | add | Modify the molecule CCC(CC#N)NC(=O)C1CCOC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CC#N)NC(=O)C1CCOC1 | CCC(CC#N)NC(=O)C1COC(c2ccccc2)C1 | benzene | null |
01ce4336-f2ff-4f73-8720-74fb2ed97c2e | add | Modify the molecule CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)[nH]1 | CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)C(c4ccccc4)C2)[nH]1 | benzene | null |
7099942c-65b3-4df6-b9d7-36394e09b854 | add | Modify the molecule C[NH+]=C(NCCc1ccc(OC)cc1O)NCC(c1ccco1)[NH+]1CCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]=C(NCCc1ccc(OC)cc1O)NCC(c1ccco1)[NH+]1CCCC1 | C[NH+]=C(NCC(c1ccco1)[NH+]1CCCC1)NC(O)Cc1ccc(OC)cc1O | hydroxyl | null |
4180589a-c1c6-4590-bb1c-1cb66e9856b3 | add | Modify the molecule [NH3+]C1CCCN(CCC2CCOC2)C1=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C1CCCN(CCC2CCOC2)C1=O | [NH3+]C1CC(O)CN(CCC2CCOC2)C1=O | hydroxyl | null |
d79528de-fb9d-4e53-a23d-3d0e629cc348 | add | Modify the molecule OCC1([NH2+]C2CNC2)CCOCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | OCC1([NH2+]C2CNC2)CCOCC1 | NC1COCCC1(CO)[NH2+]C1CNC1 | amine | null |
d3f27e82-e3b6-40a8-b9da-b8afd4f46d46 | add | Modify the molecule Cc1csc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1csc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 | Cc1nc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)sc1CC=O | aldehyde | null |
f04dc3ee-98b6-49d2-8927-356f8ec67aa2 | add | Please add a amine to the molecule CC(C)(C)[NH2+]Cc1ccsc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)[NH2+]Cc1ccsc1Cl. | CC(C)(CN)[NH2+]Cc1ccsc1Cl | amine | null |
b27daea9-f451-43e9-bbe8-f15bff5b684f | add | Modify the molecule CCCC[NH+](CCCC)Cc1cccnc1NN by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC[NH+](CCCC)Cc1cccnc1NN | CCCC[NH+](Cc1cccnc1NN)CC(N)CC | amine | null |
3baabbdf-73d6-407f-89e6-0947e23632df | add | Modify the molecule Cc1nc(=O)c(S(C)(=O)=O)c(C)[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1nc(=O)c(S(C)(=O)=O)c(C)[nH]1 | Cc1[nH]c(Cc2ccccc2)nc(=O)c1S(C)(=O)=O | benzene | null |
b4e363b5-f0fa-49b7-b684-2243c1128836 | add | Please add a hydroxyl to the molecule Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12. | Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5(O)C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12 | hydroxyl | null |
0573fa22-ad1a-4f49-8161-35eb719edb81 | add | Modify the molecule CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)CC1 | CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)C(c2ccccc2)C1 | benzene | null |
590c144e-519f-4ffa-b487-189576e6b6c6 | add | Modify the molecule CC(O)C(C)[NH+]1CCC(C)(C)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)C(C)[NH+]1CCC(C)(C)C1 | CC(O)C(CO)[NH+]1CCC(C)(C)C1 | hydroxyl | null |
791a8a78-2f66-4ebf-b32d-37a408dace32 | add | Please add a benzene ring to the molecule COc1ccc(C(=O)N2CCC(C)C2CO)cc1O.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=O)N2CCC(C)C2CO)cc1O. | COc1ccc(C(=O)N2CC(c3ccccc3)C(C)C2CO)cc1O | benzene | null |
9943668a-9906-43b8-8f4f-d3e6ec79d291 | add | Modify the molecule CC(=O)c1ccc(N(C)CC2CCC2)cc1N by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)c1ccc(N(C)CC2CCC2)cc1N | CC(=O)c1ccc(N(C)C(O)C2CCC2)cc1N | hydroxyl | null |
e78c0820-6611-4ff3-bb8f-76551e135b09 | add | Modify the molecule COC(=O)C(Nc1cccnc1C(N)=S)c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C(Nc1cccnc1C(N)=S)c1ccccc1 | COC(=O)C(Nc1cccnc1C(N)=S)c1cccc(O)c1 | hydroxyl | null |
04176db3-1b4c-4026-bc4f-d71932fa92c3 | add | Modify the molecule CCC1CC1Nc1nc2c(cc1C#N)CCCC2 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CC1Nc1nc2c(cc1C#N)CCCC2 | CCC1CC1Nc1nc2c(cc1C#N)CC(C#N)CC2 | nitrile | null |
fcd571d3-9c02-4694-b373-8337f458e66d | add | Modify the molecule NC(=O)c1ccccc1NCC(=O)N1CCCCC1CCC(=O)[O-] by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(=O)c1ccccc1NCC(=O)N1CCCCC1CCC(=O)[O-] | NC(=O)c1ccccc1NCC(=O)N1C(CCC(=O)[O-])CCCC1C(=O)O | carboxyl | null |
76fca29c-5dd2-497b-b1c0-f0d95868c434 | add | Modify the molecule CC(C)c1nc(CCNC(=O)COc2ccccc2)cs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)c1nc(CCNC(=O)COc2ccccc2)cs1 | CC(C)c1nc(CC(NC(=O)COc2ccccc2)c2ccccc2)cs1 | benzene | null |
281c822e-e34d-4104-b5cd-22127290a52c | add | Modify the molecule C[N+](C(=O)Cc1ccccc1)(C1CCN(c2cc[nH+]cc2)CC1)C1CCc2ccc(OC(=O)[O-])cc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[N+](C(=O)Cc1ccccc1)(C1CCN(c2cc[nH+]cc2)CC1)C1CCc2ccc(OC(=O)[O-])cc21 | C[N+](C(=O)Cc1ccccc1)(C1CCc2ccc(OC(=O)[O-])cc21)C1CCN(c2cc[nH+]cc2)CC1O | hydroxyl | null |
d82832e3-c46c-40b1-839d-cd6ab674932a | add | Please add a hydroxyl to the molecule CCC1CC1N1CC(C)(CC)[NH2+]CC1C.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CC1N1CC(C)(CC)[NH2+]CC1C. | CCC1CC1N1C(C)C[NH2+]C(C)(CC)C1O | hydroxyl | null |
3ecfa6fd-52c7-44a6-8595-8ad031885900 | add | Modify the molecule COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1OC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1OC | COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c(O)c1OC | hydroxyl | null |
d1f296c1-9be6-475a-b9ae-936472dde6dc | add | Modify the molecule COC(=O)C1([NH2+]C(C)C)CCC(Sc2cc(C)nn2C)C1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)C1([NH2+]C(C)C)CCC(Sc2cc(C)nn2C)C1 | COC(=O)C1([NH2+]C(C)CC#N)CCC(Sc2cc(C)nn2C)C1 | nitrile | null |
5305e1b6-f3ee-4792-9386-3ae23f548878 | add | Please add a amine to the molecule CC(C)c1cc(NC(=O)C2CC3CCC2C3)n[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)c1cc(NC(=O)C2CC3CCC2C3)n[nH]1. | CC(C)c1cc(NC(=O)C2C3CCC(C3)C2N)n[nH]1 | amine | null |
ef02bc88-6c0b-41bb-b309-3e49acd8fab3 | add | Modify the molecule CC(C)Oc1ccccc1C1C[NH2+]CCC1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)Oc1ccccc1C1C[NH2+]CCC1C | CC(C)Oc1ccccc1C1(c2ccccc2)C[NH2+]CCC1C | benzene | null |
7ee0c6b6-4606-4bfc-a646-ffa34c3592aa | add | Please add a benzene ring to the molecule CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1. | CCOc1cc(C=Nn2c(CC(C)c3ccccc3)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OC(C)=O | benzene | null |
539e0c30-acdb-4510-ae73-cac2a85b92a6 | add | Please add a benzene ring to the molecule CC(C)NC(=O)C1CC1C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)NC(=O)C1CC1C1CC1. | CC(C)(NC(=O)C1CC1C1CC1)c1ccccc1 | benzene | null |
801b33c9-7789-4ac0-85ff-d7999f8d9847 | add | Please add a hydroxyl to the molecule CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1. | CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3O)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 | hydroxyl | null |
4a360207-fb23-46c6-8988-6c9bc18e0cc9 | add | Modify the molecule Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)cc1 | Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)c(O)c1 | hydroxyl | null |
5e2b84f6-7d34-4d37-bd62-e9801cb32f32 | add | Modify the molecule CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)CCCC)nc1-c1c(OC)cccc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)CCCC)nc1-c1c(OC)cccc1OC | CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)C(CCC)c2ccccc2)nc1-c1c(OC)cccc1OC | benzene | null |
5236ff1c-8413-444e-907b-017911abacdd | add | Modify the molecule C=CCOC(=O)Nc1ccc(CCC(=O)[O-])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CCOC(=O)Nc1ccc(CCC(=O)[O-])cc1 | C=C(COC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 | benzene | null |
b059d143-1bd2-47ec-b08e-56e0b7bf30a0 | add | Please add a carboxyl to the molecule COc1cccc(C(O)C(=O)NC(C)c2ccccc2C)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cccc(C(O)C(=O)NC(C)c2ccccc2C)c1. | COc1cccc(C(O)C(=O)NC(CC(=O)O)c2ccccc2C)c1 | carboxyl | null |
fa742a94-49ae-4030-b559-1b9102264080 | add | Modify the molecule COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OC | COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OCO | hydroxyl | null |
d81526cf-041e-4c74-bdb3-8dc7604c102c | add | Modify the molecule CC(CNc1ccc(Cl)cc1I)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(CNc1ccc(Cl)cc1I)C(=O)[O-] | O=C([O-])C(CNc1ccc(Cl)cc1I)Cc1ccccc1 | benzene | null |
f5091357-2b30-40b3-bee2-b387cb17f599 | add | Modify the molecule C[NH2+]C1CC[NH+](C2CCc3ccccc3C2)C(C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]C1CC[NH+](C2CCc3ccccc3C2)C(C)C1 | CC1CC([NH2+]Cc2ccccc2)CC[NH+]1C1CCc2ccccc2C1 | benzene | null |
c9b449f5-1fde-49b2-973e-fa6818dc2d32 | add | Please add a benzene ring to the molecule Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1. | Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)c(-c3ccccc3)c2)cn1 | benzene | null |
dd1a5a13-6c5f-4078-910e-f70df91b1cc8 | add | Modify the molecule Brc1ccc(C2N3CCCN23)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>. | Brc1ccc(C2N3CCCN23)cc1 | Nc1cc(Br)ccc1C1N2CCCN12 | amine | null |
3656f61d-5499-4bd8-ab97-7e9a9717cc56 | add | Please add a carboxyl to the molecule CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCC. | CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCCC(=O)O | carboxyl | null |
c2bdde61-7744-4bf0-8651-f9644bbe3b25 | add | Modify the molecule CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)C1 | CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)(c2ccccc2)C1 | benzene | null |
bce18688-12a5-4241-830a-1ee3b53ee6bd | add | Modify the molecule CSCCCC[NH2+]Cc1cccc(OCC#N)c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CSCCCC[NH2+]Cc1cccc(OCC#N)c1 | CSCCC(CC=O)C[NH2+]Cc1cccc(OCC#N)c1 | aldehyde | null |
a38541c8-a33f-4554-8309-98682b452a6f | add | Modify the molecule CC(=O)OC(CCNC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)OC(CCNC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F | CC(=O)OC(CCNC(=O)OC(C)(C)CO)C(=O)Oc1c(F)c(F)c(F)c(F)c1F | hydroxyl | null |
4a52d345-5722-41ce-8d32-10c96cc03b62 | add | Modify the molecule OC(C[NH2+]Cc1ccccc1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | OC(C[NH2+]Cc1ccccc1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 | OC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C([NH2+]Cc1ccccc1)c1ccccc1 | benzene | null |
eb22fb94-dfc0-4032-af53-0646810d2aa1 | add | Please add a carboxyl to the molecule CCCCNC(=O)CCCC(C)(C)c1ccc2cc3ccccc3cc2c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCNC(=O)CCCC(C)(C)c1ccc2cc3ccccc3cc2c1. | CCCCNC(=O)CCC(C(=O)O)C(C)(C)c1ccc2cc3ccccc3cc2c1 | carboxyl | null |
75f6b01a-d469-44a3-8b1d-f59138ece235 | add | Modify the molecule CC(=O)c1ccc(Cc2ccc3ccccc3n2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)c1ccc(Cc2ccc3ccccc3n2)cc1 | CC(=O)c1ccc(Cc2ccc3c(-c4ccccc4)cccc3n2)cc1 | benzene | null |
0b004d00-3ca1-4949-8f02-6316b43a1355 | add | Modify the molecule O=C([O-])c1cn(CC(=O)N2CCCC2CO)nn1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])c1cn(CC(=O)N2CCCC2CO)nn1 | O=C([O-])c1cn(CC(=O)N2C(CO)CCC2C(=O)O)nn1 | carboxyl | null |
00f675e5-fea7-445a-8670-ebc6b78c5700 | add | Please add a benzene ring to the molecule CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2)c1. | CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2-c2ccccc2)c1 | benzene | null |
3e0b709e-fccf-403f-b01a-cd9f7f9a0ab8 | add | Modify the molecule CCCC1CC(C[NH3+])(N(CC)Cc2ccncc2)CCO1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC1CC(C[NH3+])(N(CC)Cc2ccncc2)CCO1 | CCCC1CC(C[NH3+])(N(CC)Cc2ccnc(O)c2)CCO1 | hydroxyl | null |
569506eb-7069-4dbb-8738-c064507d494b | add | Modify the molecule C#CC(Br)CBr by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C#CC(Br)CBr | C#CC(Br)C(O)Br | hydroxyl | null |
04a49acc-5a19-4591-9932-090ea8b1315d | add | Please add a benzene ring to the molecule Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)ccc1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)ccc1=O. | Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)c(-c2ccccc2)cc1=O | benzene | null |
daeadb99-b953-47a6-b4bb-6f70d2dd6821 | add | Please add a hydroxyl to the molecule CCCC([NH3+])C#Cc1cccc(OCC)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC([NH3+])C#Cc1cccc(OCC)c1. | CCCC([NH3+])C#Cc1ccc(O)c(OCC)c1 | hydroxyl | null |
67c0ac42-cc72-4585-a9b7-3ee2a8291d0a | add | Please add a hydroxyl to the molecule CCCOc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCOc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1. | CC(O)COc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1 | hydroxyl | null |
e789b289-79c7-4f20-bb8d-0c97c73b5f78 | add | Modify the molecule CC1CCCC(CNC(=O)NC(C(=O)[O-])C(C)O)C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CCCC(CNC(=O)NC(C(=O)[O-])C(C)O)C1 | CC1CCCC(CNC(=O)NC(C(=O)[O-])C(O)CCC=O)C1 | aldehyde | null |
61c51098-1ebf-4ecc-9469-c1fdb594c1cf | add | Please add a benzene ring to the molecule CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCC(=O)N1.
Please wrap the final SMILES in <smiles>...</smiles>. | CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCC(=O)N1. | CN(Cc1ccccc1C#CC[NH3+])C(=O)C1(c2ccccc2)CCC(=O)N1 | benzene | null |
877cf500-bf0e-4576-868b-95ee0b9cd553 | add | Please add a hydroxyl to the molecule COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCOC3=O)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCOC3=O)cc2)cc1. | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC(O)OC3=O)cc2)cc1 | hydroxyl | null |
a2495e0b-8b74-4ca7-b798-9c0f85cf7be7 | add | Please add a amine to the molecule O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2. | NC1C2CC3CC1CC(C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1)(C3)C2 | amine | null |
af435425-ee2a-47a1-9dff-b0e25c7e9636 | add | Please add a benzene ring to the molecule CC1CSCC1NC(=O)CC[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CSCC1NC(=O)CC[NH3+]. | CC1CSC(c2ccccc2)C1NC(=O)CC[NH3+] | benzene | null |
d6ed646f-2c5d-4338-884e-ad1301b27695 | add | Modify the molecule Cc1ncc(-c2cccc(-c3ncc(C(C=NCC(=O)N4CCCC4)=C[NH3+])cn3)c2)s1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ncc(-c2cccc(-c3ncc(C(C=NCC(=O)N4CCCC4)=C[NH3+])cn3)c2)s1 | Cc1ncc(-c2cccc(-c3ncc(C(=C[NH3+])C(CC=O)=NCC(=O)N4CCCC4)cn3)c2)s1 | aldehyde | null |
b18dab7f-66e6-43cc-95c7-94fc04644efa | add | Please add a carboxyl to the molecule Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4ccco4)CC3c3cccs3)nnc12.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4ccco4)CC3c3cccs3)nnc12. | Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4cc(C(=O)O)co4)CC3c3cccs3)nnc12 | carboxyl | null |
12152113-62e9-486c-81e7-822561463278 | add | Please add a hydroxyl to the molecule Cn1ncc(CNc2ccc(F)cc2C#N)c1N.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1ncc(CNc2ccc(F)cc2C#N)c1N. | Cn1ncc(CNc2c(O)cc(F)cc2C#N)c1N | hydroxyl | null |
144b2096-4c8c-4b9e-b305-8d4815b97329 | add | Modify the molecule CC(C)C(CC[NH3+])c1ccc2c(c1)COCC2 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)C(CC[NH3+])c1ccc2c(c1)COCC2 | CC(C)C(CC[NH3+])c1cc2c(cc1C#N)CCOC2 | nitrile | null |
6187e7d9-d977-4467-9e55-bd22fd5b474b | add | Modify the molecule COCC(C)(O)C1CC1(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COCC(C)(O)C1CC1(C)C | COCC(C)(O)C1CC1(C)Cc1ccccc1 | benzene | null |
2d599e30-7fac-4ad5-a5ad-505c9b793ef0 | add | Modify the molecule O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCc2cccnc21 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCc2cccnc21 | O=C(Nc1ccc(N2C(=O)CCC2C(=O)O)c(F)c1)C1CCc2cccnc21 | carboxyl | null |
80d5469a-cf6c-44d7-8979-c50090a58fad | add | Modify the molecule CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)CC)C(C)SC)C(C)SC)C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)CC)C(C)SC)C(C)SC)C(C)C | CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)C(C)c1ccccc1)C(C)SC)C(C)SC)C(C)C | benzene | null |
a2cbb1b1-5c92-4862-bc94-36735df3de41 | add | Please add a benzene ring to the molecule [NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1. | [NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1-c1ccccc1)c1ccccc1 | benzene | null |
4f527830-51d1-4faf-936a-5f21c576ed84 | add | Please add a hydroxyl to the molecule [O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>. | [O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12. | [O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3O)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12 | hydroxyl | null |
d7850cbe-68a1-433b-aa4c-adbe7855395e | add | Please add a hydroxyl to the molecule COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1. | COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c(O)[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1 | hydroxyl | null |
85c28c2b-75db-4c7c-b620-82cf7d5a417e | add | Modify the molecule COc1ccccc1C[NH+](C)CC1(C[NH3+])CCCC(C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccccc1C[NH+](C)CC1(C[NH3+])CCCC(C)C1 | COc1ccccc1C(c1ccccc1)[NH+](C)CC1(C[NH3+])CCCC(C)C1 | benzene | null |
1822de63-ee30-435c-9a3f-c19463733f96 | add | Modify the molecule C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1 | C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1c1ccccc1 | benzene | null |
b5352d34-7926-4bfb-a991-9e6a254c186f | add | Please add a hydroxyl to the molecule O=C1C=C(c2ccccc2)OC1C(=O)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1C=C(c2ccccc2)OC1C(=O)c1ccccc1. | O=C1C=C(c2ccccc2)OC1C(=O)c1cccc(O)c1 | hydroxyl | null |
7c055d25-db98-49d3-9e79-d204e27f9960 | add | Modify the molecule CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C | CC(C)C(C)C(O)C(O)C(C)C1CC(O)C2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C | hydroxyl | null |
f4867874-3ae3-4820-8f1a-32f59ce4fc04 | add | Modify the molecule CCCc1ncc(C(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1ncc(C(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])n1 | CCCc1ncc(C(=O)c2ccc(C)c(C)c2O)c(C(=O)[O-])n1 | hydroxyl | null |
6c15f6a9-98e0-4f85-9457-f569c812b155 | add | Please add a hydroxyl to the molecule O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1nccs1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1nccs1. | O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1ncc(O)s1 | hydroxyl | null |
dc53a7ad-1c44-4200-90b4-ee465518470c | add | Modify the molecule CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1ccccc1 | CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1cccc(-c2ccccc2)c1 | benzene | null |
06d8952b-092d-4f4e-a8c5-16feb04f2b91 | add | Modify the molecule Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cs1 | Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)c(-c4ccccc4)c3)CC2)cs1 | benzene | null |
a6826bc9-0784-4244-b8bb-7ed06f736b46 | add | Please add a benzene ring to the molecule CC1=NCC2(C[NH+]3CCC2C3)O1.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1=NCC2(C[NH+]3CCC2C3)O1. | CC1=NCC2(C[NH+]3CC(c4ccccc4)C2C3)O1 | benzene | null |
6cd042b5-3ee7-4e05-81d5-d57a0dbd85c9 | add | Please add a benzene ring to the molecule CCCc1noc(N)c1-c1cccc(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1noc(N)c1-c1cccc(C(F)(F)F)c1. | CCCc1noc(N)c1-c1cc(C(F)(F)F)ccc1-c1ccccc1 | benzene | null |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.