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 |
|---|---|---|---|---|---|---|
f8875fa0-4ff4-4418-bc2e-b3a24d58a039 | sub | Modify the molecule C[NH+]=C(NCCOc1cccnc1)NCCc1cccc(F)c1 by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]=C(NCCOc1cccnc1)NCCc1cccc(F)c1 | C[NH+]=C(NCCOc1cccnc1)NCCc1cccc(NO)c1 | nitro | halo |
7522a7cd-4951-49a6-a6e2-95da260ce6cf | sub | Please substitute a halo in the molecule CCOC(=O)c1c(NC(=O)c2c(Br)c(C)nn2CC)c(-c2ccc3c(c2)OCO3)cn1C with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1c(NC(=O)c2c(Br)c(C)nn2CC)c(-c2ccc3c(c2)OCO3)cn1C | CCOC(=O)c1c(NC(=O)c2c(C(=O)[OH])c(C)nn2CC)c(-c2ccc3c(c2)OCO3)cn1C | carboxyl | halo |
3580c932-e5e6-41f4-846a-58bf99fc0935 | sub | Modify the molecule CCc1cnc(C(C)Nc2ncc(Br)c(OC)n2)s1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1cnc(C(C)Nc2ncc(Br)c(OC)n2)s1 | CC(=O)c1cnc(NC(C)c2ncc(CC)s2)nc1OC | aldehyde | halo |
9053d8fc-b310-4b52-b170-3ccfa8d9abd6 | sub | Modify the molecule CC([NH3+])Cc1ccc(OCc2c(F)cccc2Cl)cc1 by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC([NH3+])Cc1ccc(OCc2c(F)cccc2Cl)cc1 | CC([NH3+])Cc1ccc(OCc2c(O)cccc2Cl)cc1 | hydroxyl | halo |
6d4da01b-99fd-4ab8-9a3a-27356d913cbf | sub | Modify the molecule CC(CO)C(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 by substituting a hydroxyl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(CO)C(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 | CC(CC(=O)O)C(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 | carboxyl | hydroxyl |
4e3aab98-d9dc-4346-a85c-8dcc44b9b615 | sub | Please substitute a halo in the molecule CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1cc(C)ccc1OC with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1cc(C)ccc1OC | CC[NH+](CC(=O)Nc1c(Cl)cccc1C#N)C(C)C(=O)Nc1cc(C)ccc1OC | nitrile | halo |
6d61f35e-3cc8-4c9b-b5c4-71da9c1a5c0b | sub | Please substitute a halo in the molecule CCOC(=O)C(=CNc1ccc(F)cc1F)C(=O)OCC with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C(=CNc1ccc(F)cc1F)C(=O)OCC | CCOC(=O)C(=CNc1ccc(O)cc1F)C(=O)OCC | hydroxyl | halo |
b942bec0-43c8-47c7-a4ec-75b8d1ec7af7 | sub | Modify the molecule NC(=[NH+]OC(=O)c1ccc(Br)cc1)c1ccncc1 by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(=[NH+]OC(=O)c1ccc(Br)cc1)c1ccncc1 | N#Cc1ccc(C(=O)O[NH+]=C(N)c2ccncc2)cc1 | nitrile | halo |
c33b4aad-4fe1-42f7-badd-0658fdf8e08b | sub | Modify the molecule Fc1c(CCl)cc(Br)c2sccc12 by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Fc1c(CCl)cc(Br)c2sccc12 | Oc1c(CCl)cc(Br)c2sccc12 | hydroxyl | halo |
b8fd0ce6-ff79-4d49-bdbd-71787bbb0034 | sub | Please substitute a halo in the molecule O=c1cc([N+](=O)[O-])c(CBr)c[nH]1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=c1cc([N+](=O)[O-])c(CBr)c[nH]1 | O=c1cc([N+](=O)[O-])c(CO)c[nH]1 | hydroxyl | halo |
d45853f9-8528-46cf-a397-49780e870c15 | sub | Please substitute a hydroxyl in the molecule CC(C)CC(=O)N1CC(NC(=O)OC(C)(C)C)CC(C(C)O)C1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CC(=O)N1CC(NC(=O)OC(C)(C)C)CC(C(C)O)C1 | CC(=O)C(C)C1CC(NC(=O)OC(C)(C)C)CN(C(=O)CC(C)C)C1 | aldehyde | hydroxyl |
2496e458-d0ab-4e04-8c2e-2c35856353b4 | sub | Please substitute a halo in the molecule Clc1ccc(CBr)c2nc[nH]c12 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Clc1ccc(CBr)c2nc[nH]c12 | Oc1ccc(CBr)c2nc[nH]c12 | hydroxyl | halo |
db3cc6a6-72a1-45e4-bcf3-431908fcccb6 | sub | Please substitute a halo in the molecule CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2Cl)CC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2Cl)CC1 | CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1NO)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2Cl)CC1 | nitro | halo |
86a6fc3b-68a3-4554-9ac4-bcddd9e05419 | sub | Please substitute a halo in the molecule CC(C)(C)c1csc(C2CN(c3ncnc4ccc(Br)cc34)CCO2)n1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)c1csc(C2CN(c3ncnc4ccc(Br)cc34)CCO2)n1 | CC(C)(C)c1csc(C2CN(c3ncnc4ccc(C#N)cc34)CCO2)n1 | nitrile | halo |
31150bbb-e4ae-43c3-ba86-55f6433cb2c8 | sub | Please substitute a halo in the molecule COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCC1 | COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1S(=O)(=O)N1CCCCC1 | nitro | halo |
328cce04-6351-4b44-9252-ddb0c1bba466 | sub | Please substitute a halo in the molecule COC(=O)Cc1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)Cc1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 | COC(=O)Cc1csc(NC(=O)c2cc(Cl)cc(NO)c2)n1 | nitro | halo |
fea4bbc2-7305-4426-a349-255a05de7831 | sub | Modify the molecule CCC(CC)N(C)c1ncc(F)cc1CCl by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CC)N(C)c1ncc(F)cc1CCl | CC(=O)c1cnc(N(C)C(CC)CC)c(CCl)c1 | aldehyde | halo |
3e818a81-7f64-42f9-afeb-6f417614380b | sub | Please substitute a halo in the molecule CCOC1CC([NH2+]C(C)c2cccc(Cl)c2)C12CCC2 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC1CC([NH2+]C(C)c2cccc(Cl)c2)C12CCC2 | CCOC1CC([NH2+]C(C)c2cccc(S)c2)C12CCC2 | thiol | halo |
cbd52a09-f0b9-497d-8605-dfb092012c4d | sub | Please substitute a halo in the molecule COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C)c(F)c1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C)c(F)c1 | COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C)c(O)c1 | hydroxyl | halo |
ee7fbcc4-8c86-4554-b720-100245fb457f | sub | Please substitute a halo in the molecule CCCN(c1ccc(CC[NH3+])c(C(F)(F)F)c1)C1CC1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCN(c1ccc(CC[NH3+])c(C(F)(F)F)c1)C1CC1 | CCCN(c1ccc(CC[NH3+])c(C(F)(F)C(=O)O)c1)C1CC1 | carboxyl | halo |
b0368257-5015-4492-8378-b25a561f0283 | sub | Please substitute a hydroxyl in the molecule CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6c[n+](C(C)OC(=O)NC7OC8COC(C)(C)OC8C7OC(=O)CN(C)C(=O)OC(C)(C)C)cn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6c[n+](C(C)OC(=O)NC7OC8COC(C)(C)OC8C7OC(=O)CN(C)C(=O)OC(C)(C)C)cn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O | CCC(C(C)S)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6c[n+](C(C)OC(=O)NC7OC8COC(C)(C)OC8C7OC(=O)CN(C)C(=O)OC(C)(C)C)cn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O | thiol | hydroxyl |
be816b55-def0-4471-a4c0-20e0b20d70ee | sub | Please substitute a halo in the molecule CCCOc1cccnc1NCC1CCC(Cl)CC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCOc1cccnc1NCC1CCC(Cl)CC1 | CCCOc1cccnc1NCC1CCC(NO)CC1 | nitro | halo |
aedf6a84-4215-42c3-9d4f-dc281ce7195f | sub | Please substitute a halo in the molecule C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4)c(CC(CC)C(C)=O)c3)n2)cc1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4)c(CC(CC)C(C)=O)c3)n2)cc1 | C=CS(=O)(=O)c1ccc(Nc2nc(C#N)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4)c(CC(CC)C(C)=O)c3)n2)cc1 | nitrile | halo |
3c66b67c-691a-4605-979e-d1b149059f9b | sub | Please substitute a halo in the molecule Cc1cc(C)c(NC(=O)c2cc(F)cnc2N)c(C)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)c(NC(=O)c2cc(F)cnc2N)c(C)c1 | O=Cc1cc(C)c(NC(=O)c2ccc(N)nc2N)c(C)c1 | aldehyde | halo |
9c232473-9325-4dc3-a097-0f513df4ea24 | sub | Please substitute a hydroxyl in the molecule CCCCC(C)[NH2+]Cc1ccccc1CO with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC(C)[NH2+]Cc1ccccc1CO | CCCCC(C)[NH2+]Cc1ccccc1CNO | nitro | hydroxyl |
9931c923-0813-4fe3-81c6-248348ece99d | sub | Please substitute a halo in the molecule COC(=O)c1cnc(-c2ccc(F)c(F)c2)nc1N with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)c1cnc(-c2ccc(F)c(F)c2)nc1N | COC(=O)c1cnc(-c2ccc(C(=O)[OH])c(F)c2)nc1N | carboxyl | halo |
ed5cfb0d-5300-4a4b-b07f-8aca07628c67 | sub | Please substitute a hydroxyl in the molecule Cc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(O)COC(C)C)CCO2)cc1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(O)COC(C)C)CCO2)cc1 | Cc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(C#N)COC(C)C)CCO2)cc1 | nitrile | hydroxyl |
29b48c80-697f-4133-9961-bb5b19f6bea5 | sub | Please substitute a halo in the molecule O=C([S-])N(CC(Br)CBr)CC(Br)CBr with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([S-])N(CC(Br)CBr)CC(Br)CBr | O=C([S-])N(CC(O)CBr)CC(Br)CBr | hydroxyl | halo |
c2414d0a-535d-421c-95f4-51ca2ecd4ccf | sub | Please substitute a halo in the molecule CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1 | CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 | nitro | halo |
393fe073-a91c-4e97-ab51-7c9b58637377 | sub | Please substitute a nitrile in the molecule CC(=O)c1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)c1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1 | CC(=O)c1c(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)sc2c1CCCC2 | aldehyde | nitrile |
d37c76af-2881-4754-9560-1b0d606153d0 | sub | Modify the molecule O=C(Cc1ccc(F)cc1)Nc1cc(-c2cnc3[nH]cccc2-3)ncn1 by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Cc1ccc(F)cc1)Nc1cc(-c2cnc3[nH]cccc2-3)ncn1 | O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2cnc3[nH]cccc2-3)ncn1 | nitro | halo |
10c002f5-a0c7-4ba1-acf5-4e23f24e99b5 | sub | Modify the molecule Fc1ccc(CC2C[NH2+]CCO2)c(F)c1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Fc1ccc(CC2C[NH2+]CCO2)c(F)c1 | CC(=O)c1ccc(CC2C[NH2+]CCO2)c(F)c1 | aldehyde | halo |
d2cd2143-754f-4b4e-ac7a-11d384929665 | sub | Please substitute a hydroxyl in the molecule C#CCN(CC)C(=O)CCC(C)O with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | C#CCN(CC)C(=O)CCC(C)O | C#CCN(CC)C(=O)CCC(C)C#N | nitrile | hydroxyl |
1a6cd72a-2241-4d33-b084-f5a03b94e716 | sub | Modify the molecule [C-]#[N+]c1ccc(Cl)cc1CC(=O)NC(C)(C)C by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | [C-]#[N+]c1ccc(Cl)cc1CC(=O)NC(C)(C)C | [C-]#[N+]c1ccc(C#N)cc1CC(=O)NC(C)(C)C | nitrile | halo |
b3344e1d-e49f-431d-b436-0f8aafe94eff | sub | Modify the molecule CC1(C)C=C(CCO)C(=O)CC1 by substituting a hydroxyl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C)C=C(CCO)C(=O)CC1 | CC1(C)C=C(CCC(=O)O)C(=O)CC1 | carboxyl | hydroxyl |
d58c0340-b171-4cac-b49a-47331c997679 | sub | Please substitute a nitrile in the molecule COc1ccc(C[NH+]2C3CC2CN(c2ccc(-c4cc(OF)cn5ncc(C#N)c45)cn2)C3)cn1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(C[NH+]2C3CC2CN(c2ccc(-c4cc(OF)cn5ncc(C#N)c45)cn2)C3)cn1 | CC(=O)c1cnn2cc(OF)cc(-c3ccc(N4CC5CC(C4)[NH+]5Cc4ccc(OC)nc4)nc3)c12 | aldehyde | nitrile |
a7d4292b-0aec-4629-8efe-92778d66c913 | sub | Please substitute a halo in the molecule CC(NC(=O)N1CC[NH+]2CCOCC2C1)c1nc(-c2cccc(F)c2)no1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(NC(=O)N1CC[NH+]2CCOCC2C1)c1nc(-c2cccc(F)c2)no1 | CC(NC(=O)N1CC[NH+]2CCOCC2C1)c1nc(-c2cccc(C#N)c2)no1 | nitrile | halo |
33859be9-4472-47eb-956a-ed30e610b6d9 | sub | Modify the molecule N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 by substituting a nitrile with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 | CC(=O)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 | aldehyde | nitrile |
d0808540-af3c-4f48-a2a1-1bb8a22ab699 | sub | Please substitute a halo in the molecule CCOc1c(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1c(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC | CCOc1c(C=C2SC(=S)N(c3ccccc3)C2=O)cc(CHO)cc1OC | aldehyde | halo |
773ff13e-4bdb-49d4-841c-6acc7266785d | sub | Modify the molecule CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1 by substituting a halo with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1 | CCCN(Cc1ccccc1)C(=O)Nc1ccc(S)c(F)c1 | thiol | halo |
4cc763e2-67a1-4fe0-8c73-3a52f2bc9189 | sub | Modify the molecule CC(C)(C)CC([NH3+])C(=O)NC1(C#N)CC[NH+](C2CCCCC2c2ccccc2)CC1 by substituting a nitrile with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)CC([NH3+])C(=O)NC1(C#N)CC[NH+](C2CCCCC2c2ccccc2)CC1 | CC(=O)C1(NC(=O)C([NH3+])CC(C)(C)C)CC[NH+](C2CCCCC2c2ccccc2)CC1 | aldehyde | nitrile |
1677a0d6-c0fe-4506-8db5-0e223cc756f4 | sub | Modify the molecule Oc1cc2ccc(C#CCn3ccnc3)cc2c(O)c1Cc1ccccc1 by substituting a hydroxyl with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | Oc1cc2ccc(C#CCn3ccnc3)cc2c(O)c1Cc1ccccc1 | Oc1c(Cc2ccccc2)c(I)cc2ccc(C#CCn3ccnc3)cc12 | halo | hydroxyl |
dce42036-2628-41df-9fe8-85f10f3730ec | sub | Please substitute a halo in the molecule Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Cl)nn2)no1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Cl)nn2)no1 | Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C#N)nn2)no1 | nitrile | halo |
abd4cc43-4129-4fa5-b945-b7199e765795 | sub | Please substitute a halo in the molecule NC(NCCNC(=O)c1ccc(Cl)c(Cl)c1)=[NH+]CC1CCC1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(NCCNC(=O)c1ccc(Cl)c(Cl)c1)=[NH+]CC1CCC1 | NC(NCCNC(=O)c1ccc(O)c(Cl)c1)=[NH+]CC1CCC1 | hydroxyl | halo |
fa39af57-c0c8-423d-8529-813fa9ecc596 | sub | Modify the molecule COc1cc(Br)c(CNc2cnc(Cl)c(C)c2)cc1OC by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1cc(Br)c(CNc2cnc(Cl)c(C)c2)cc1OC | COc1cc(C#N)c(CNc2cnc(Cl)c(C)c2)cc1OC | nitrile | halo |
53911e06-e4af-44ba-8c06-e7fb179a0537 | sub | Modify the molecule Clc1cc(I)cc2c(Br)ccnc12 by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Clc1cc(I)cc2c(Br)ccnc12 | N#Cc1cc(I)cc2c(Br)ccnc12 | nitrile | halo |
7c0882f9-3d94-4c9d-9268-76aba1529fdc | sub | Modify the molecule CCC1C(O)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)C(C)(C)C)C3(C)CCC2C2(C)CCC(O)CC12 by substituting a hydroxyl with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1C(O)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)C(C)(C)C)C3(C)CCC2C2(C)CCC(O)CC12 | CCC1C(C#N)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)C(C)(C)C)C3(C)CCC2C2(C)CCC(O)CC12 | nitrile | hydroxyl |
9d542aed-39c6-4328-a4c7-aefd0034ce92 | sub | Please substitute a halo in the molecule CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)CC1CC1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)CC1CC1 | CC1(C(=O)Nc2ccc(C(=O)[OH])c(Cl)c2)CCN1C(=O)CC1CC1 | carboxyl | halo |
035f68a0-a460-40f8-a7cc-b7109973764c | sub | Please substitute a halo in the molecule C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1Cl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1Cl | C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)s2)cc1Cl | carboxyl | halo |
485f8a6a-b213-4aec-aaf5-39c9ea859c79 | sub | Please substitute a halo in the molecule CC(C)CC(C[NH3+])C(=O)Nc1cc(Cl)nc(Cl)n1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CC(C[NH3+])C(=O)Nc1cc(Cl)nc(Cl)n1 | CC(C)CC(C[NH3+])C(=O)Nc1cc([N+](=O)[O-])nc(Cl)n1 | nitro | halo |
c99e3b66-9b3e-4cc8-89a0-430d90ac0c91 | sub | Please substitute a nitrile in the molecule Cc1cccc(C)c1C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)N(CC#N)C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C)c1C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)N(CC#N)C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C | CC(=O)CN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)c1c(C)cccc1C | aldehyde | nitrile |
f31e0a1f-c1fa-4da8-9e53-a189c82941bd | sub | Please substitute a halo in the molecule CCC(C)C(C)NC(=O)c1cc(N)ncc1Cl with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)C(C)NC(=O)c1cc(N)ncc1Cl | CCC(C)C(C)NC(=O)c1cc(N)ncc1S | thiol | halo |
e4106a2b-85eb-42d1-acec-9f92984f0cbc | sub | Please substitute a hydroxyl in the molecule COc1ccc(-c2cc(O)c3c(C)cc(=O)cc-3o2)cc1OC with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(-c2cc(O)c3c(C)cc(=O)cc-3o2)cc1OC | COc1ccc(-c2cc(Br)c3c(C)cc(=O)cc-3o2)cc1OC | halo | hydroxyl |
f1938970-70bd-4670-9580-5726092a2a23 | sub | Please substitute a halo in the molecule [NH3+]C1CCn2c(nc3c(Cl)cccc32)C1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]C1CCn2c(nc3c(Cl)cccc32)C1 | [NH3+]C1CCn2c(nc3c(C(=O)[OH])cccc32)C1 | carboxyl | halo |
014f6a09-1f13-47ca-b156-fdeed4f8791c | sub | Please substitute a halo in the molecule N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F | N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(C=O)cc1 | aldehyde | halo |
0694f3e2-2593-4d74-b659-d3e2621f54b2 | sub | Please substitute a halo in the molecule CC(C)(C)OC(=O)NCCCNc1nc(Cl)ncc1Cl with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)OC(=O)NCCCNc1nc(Cl)ncc1Cl | CC(C)(C)OC(=O)NCCCNc1nc(NO2)ncc1Cl | nitro | halo |
cf50e011-60f2-4c94-bcc4-e05c810738ee | sub | Please substitute a nitrile in the molecule CC(C)(C#N)CCCSc1cc(F)ccc1F with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C#N)CCCSc1cc(F)ccc1F | CC(C)(I)CCCSc1cc(F)ccc1F | halo | nitrile |
d7c00cf4-0c05-4a94-9516-a31116102473 | sub | Please substitute a halo in the molecule CCS(=O)(=O)Cc1ccc(Br)cc1C with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCS(=O)(=O)Cc1ccc(Br)cc1C | CCS(=O)(=O)Cc1ccc(NO)cc1C | nitro | halo |
c0511ab4-2f50-4820-a3d2-fb594b627a5d | sub | Modify the molecule N#CC(=CNc1ncn[nH]1)C(=O)NCCCl by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | N#CC(=CNc1ncn[nH]1)C(=O)NCCCl | N#CC(=CNc1ncn[nH]1)C(=O)NCCC(=O)[OH] | carboxyl | halo |
47f1dc07-cc3b-4917-bc62-03bd7a83d4db | sub | Modify the molecule Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5c(F)cccc5F)ccc4C)CC3)ccc2Cl)cc1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5c(F)cccc5F)ccc4C)CC3)ccc2Cl)cc1 | Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5c(F)cccc5C(=O)[OH])ccc4C)CC3)ccc2Cl)cc1 | carboxyl | halo |
2833b051-0873-412a-bf52-0f35722f8973 | sub | Please substitute a halo in the molecule [NH3+]CC(=O)NCC#Cc1cccc(Cl)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]CC(=O)NCC#Cc1cccc(Cl)c1 | CC(=O)c1cccc(C#CCNC(=O)C[NH3+])c1 | aldehyde | halo |
ef42162c-19b3-41b7-a694-db0696e89a92 | sub | Modify the molecule OCCCC[NH+](CC#Cc1ccc(Cl)cc1)C1CC1 by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | OCCCC[NH+](CC#Cc1ccc(Cl)cc1)C1CC1 | N#Cc1ccc(C#CC[NH+](CCCCO)C2CC2)cc1 | nitrile | halo |
50b9dc7d-cea7-4f02-b52f-dcf15b2fcd11 | sub | Modify the molecule N#Cc1c(OC(F)(F)F)cnc(C(F)(F)F)c1[O-] by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1c(OC(F)(F)F)cnc(C(F)(F)F)c1[O-] | N#Cc1c(OC(O)(F)F)cnc(C(F)(F)F)c1[O-] | hydroxyl | halo |
f1a763cb-16ee-46ad-9066-ffed3caeadc1 | sub | Please substitute a halo in the molecule Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 | C(=O)c1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1ccccc1 | aldehyde | halo |
4c5f7554-7645-49e2-8fac-00100a63143d | sub | Please substitute a halo in the molecule CC(=O)NCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)s1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)NCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)s1 | CC(=O)NCC(=O)Nc1nc(C)c(-c2cnc(C(=O)[OH])c(NS(=O)(=O)c3ccccc3)c2)s1 | carboxyl | halo |
5f8ecbdf-5e35-4725-b675-bf9b7c92e9e6 | sub | Modify the molecule CSc1cc(O)cc2c(CBr)csc12 by substituting a hydroxyl with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CSc1cc(O)cc2c(CBr)csc12 | CSc1cc(S)cc2c(CBr)csc12 | thiol | hydroxyl |
456f15af-7b72-4cde-b8b4-65e43654c2b6 | sub | Please substitute a hydroxyl in the molecule CC(C)c1nc(C[NH+]2CCc3ccccc3C2CO)no1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)c1nc(C[NH+]2CCc3ccccc3C2CO)no1 | CC(C)c1nc(C[NH+]2CCc3ccccc3C2CC#N)no1 | nitrile | hydroxyl |
1768d6c7-3b89-4164-92f5-35177de63571 | sub | Please substitute a hydroxyl in the molecule CC1=CONC1(C)NS(=O)(=O)c1cccc2c(O)cccc12 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1=CONC1(C)NS(=O)(=O)c1cccc2c(O)cccc12 | CC1=CONC1(C)NS(=O)(=O)c1cccc2c(C#N)cccc12 | nitrile | hydroxyl |
3dd09dbb-a63c-4bab-93ad-09a3a044c9f8 | sub | Modify the molecule CC(C)n1cc(N)cc1C(=O)NCC1CC(O)C1 by substituting a hydroxyl with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)n1cc(N)cc1C(=O)NCC1CC(O)C1 | CC(C)n1cc(N)cc1C(=O)NCC1CC(S)C1 | thiol | hydroxyl |
a648c3ed-d85c-48e3-b460-192f5daba194 | sub | Please substitute a hydroxyl in the molecule CC(=NCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=NCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C | CC(=NCCBr)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C | halo | hydroxyl |
63fd959a-448e-4da0-8cea-72636fcbbb89 | sub | Please substitute a hydroxyl in the molecule CCOc1ccc(C(=O)C(C)OC(=O)c2ccccc2O)cc1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(C(=O)C(C)OC(=O)c2ccccc2O)cc1 | CCOc1ccc(C(=O)C(C)OC(=O)c2ccccc2NO)cc1 | nitro | hydroxyl |
048f078f-d1d9-4896-9693-1de8a7b98a95 | sub | Please substitute a halo in the molecule CC(Oc1ccc(C(C)(C)C)cc1)C1CCOC(c2c(F)cccc2F)=N1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(Oc1ccc(C(C)(C)C)cc1)C1CCOC(c2c(F)cccc2F)=N1 | CC(Oc1ccc(C(C)(C)C)cc1)C1CCOC(c2c(O)cccc2F)=N1 | hydroxyl | halo |
2dc0417c-5c28-4413-997c-3509c06f8456 | sub | Please substitute a halo in the molecule ClCc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | ClCc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl | ONCc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl | nitro | halo |
f9283215-dcf2-4a80-af32-673917edc603 | sub | Please substitute a halo in the molecule CC(C)[NH+]=c1ccccn1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)[NH+]=c1ccccn1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 | CC(C)[NH+]=c1ccccn1C(=O)c1cccc(NC(=O)c2ccc(O)o2)c1 | hydroxyl | halo |
29e8e657-843c-451f-9b64-ba123bd5402c | sub | Modify the molecule CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[O-])c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[O-])c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 | CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[O-])c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(C=O)cc2)C1 | aldehyde | halo |
5fce7a5d-f16f-4433-82a0-1e53c04b59c4 | sub | Modify the molecule O=C(C=C1CCCCC1)Cc1c(F)cccc1Cl by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C=C1CCCCC1)Cc1c(F)cccc1Cl | CC(=O)c1cccc(Cl)c1CC(=O)C=C1CCCCC1 | aldehyde | halo |
94bcb909-26ea-4d73-b3a0-49fbd6de631c | sub | Modify the molecule CCC(SCc1cc2c(cc1Br)OCCO2)C(=O)Nc1cc(C)on1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(SCc1cc2c(cc1Br)OCCO2)C(=O)Nc1cc(C)on1 | CCC(SCc1cc2c(cc1C(=O)[OH])OCCO2)C(=O)Nc1cc(C)on1 | carboxyl | halo |
be600863-ee5f-4a58-8b14-963c9c4ad941 | sub | Please substitute a nitrile in the molecule CC1(C)CCc2c(N3CCOCC3)[nH]c(=O)c(C#N)c2C1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1(C)CCc2c(N3CCOCC3)[nH]c(=O)c(C#N)c2C1 | CC1(C)CCc2c(N3CCOCC3)[nH]c(=O)c(O)c2C1 | hydroxyl | nitrile |
18e3f8b1-82ff-4b22-88ae-ad21f2398091 | sub | Please substitute a halo in the molecule COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1 | COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(S)cc3s2)c1 | thiol | halo |
efddb34e-2dd1-4591-8508-032f235de368 | sub | Please substitute a halo in the molecule O=C(CCBr)c1cc(Cl)cc(CCl)c1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CCBr)c1cc(Cl)cc(CCl)c1 | O=C([OH])CCC(=O)c1cc(Cl)cc(CCl)c1 | carboxyl | halo |
04999bc6-082e-4018-927c-1f3e96037eaa | sub | Please substitute a hydroxyl in the molecule Cc1cc(Cl)c(C(=O)NOCCOCc2cc(C(F)(F)F)c(C(=O)NOCCO)s2)s1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(Cl)c(C(=O)NOCCOCc2cc(C(F)(F)F)c(C(=O)NOCCO)s2)s1 | Cc1cc(Cl)c(C(=O)NOCCOCc2cc(C(F)(F)F)c(C(=O)NOCCS)s2)s1 | thiol | hydroxyl |
447556db-8c07-4fab-bbe0-44b20a3cd90a | sub | Please substitute a halo in the molecule C[NH+](CCCc1ccc(CNC(=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2cc(F)ccc2[nH]1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+](CCCc1ccc(CNC(=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2cc(F)ccc2[nH]1 | C[NH+](CCCc1ccc(CNC(=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2cc(C#N)ccc2[nH]1 | nitrile | halo |
4ea05f83-bc38-47c6-ba67-c9a25351cbe5 | sub | Please substitute a halo in the molecule C#CC(O)C(Br)Oc1ccc(F)cc1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | C#CC(O)C(Br)Oc1ccc(F)cc1 | C#CC(O)C([N+](=O)[O-])Oc1ccc(F)cc1 | nitro | halo |
ff44baf4-cbea-4d96-ba62-7e159716a0e1 | sub | Please substitute a halo in the molecule CSC(N)=[NH+]c1cc(Cl)ccc1Oc1ccccc1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CSC(N)=[NH+]c1cc(Cl)ccc1Oc1ccccc1 | CSC(N)=[NH+]c1cc(S)ccc1Oc1ccccc1 | thiol | halo |
06947ee1-e2f8-4a22-84fc-d05a94a212a2 | sub | Modify the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 by substituting a halo with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 | Cc1ccc(C(=O)Nc2ccc(S)cc2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 | thiol | halo |
ea5498ae-4b37-47ce-a0d7-6a7389f4d036 | sub | Please substitute a halo in the molecule Cc1cc(C)c(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)c(C)c1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)c(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)c(C)c1 | Cc1cc(C)c(-n2nc(C)c(S(=O)(=O)C(=O)O)c2Cl)c(C)c1 | carboxyl | halo |
c6533fc0-a023-4f35-82c9-9a28dd848c8e | sub | Please substitute a halo in the molecule FC(F)(F)c1cccc(OCC2CC[NH+](CC3COCCOC3)CC2)n1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | FC(F)(F)c1cccc(OCC2CC[NH+](CC3COCCOC3)CC2)n1 | O=Cc1cccc(OCC2CC[NH+](CC3COCCOC3)CC2)n1 | aldehyde | halo |
00e3d0a9-cadf-425f-b8f4-d46ec478b014 | sub | Please substitute a hydroxyl in the molecule [NH3+]CC(=O)c1cc2c(O)cccc2o1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | [NH3+]CC(=O)c1cc2c(O)cccc2o1 | [NH3+]CC(=O)c1cc2c(F)cccc2o1 | halo | hydroxyl |
3fa60320-e70e-4c7c-9b68-2fec39d571d2 | sub | Modify the molecule CCc1ccc(C(=O)Cn2ccnc2C#N)s1 by substituting a nitrile with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1ccc(C(=O)Cn2ccnc2C#N)s1 | CCc1ccc(C(=O)Cn2ccnc2C(=O)[OH])s1 | carboxyl | nitrile |
f0ef9b99-87e2-490c-af72-7ef0cd4bde3c | sub | Please substitute a hydroxyl in the molecule CC(C)=CC(=O)N(C)CCC(C)O with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)=CC(=O)N(C)CCC(C)O | CC(C)=CC(=O)N(C)CCC(C)C(=O)O | carboxyl | hydroxyl |
a52ac139-e7bb-4204-9423-92e8f12919b1 | sub | Please substitute a halo in the molecule CCC1CCC(C)N1S(=O)(=O)c1cc(N)c(F)cc1F with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1CCC(C)N1S(=O)(=O)c1cc(N)c(F)cc1F | CC(=O)c1cc(F)c(S(=O)(=O)N2C(C)CCC2CC)cc1N | aldehyde | halo |
a9ce637f-4c4b-451b-8de5-6d58591ccc58 | sub | Please substitute a hydroxyl in the molecule Cc1cc(C)c(Nc2cc(C3CC3)nc(NCCCO)n2)c(C)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)c(Nc2cc(C3CC3)nc(NCCCO)n2)c(C)c1 | CC(=O)CCCNc1nc(Nc2c(C)cc(C)cc2C)cc(C2CC2)n1 | aldehyde | hydroxyl |
c40b4b4d-f504-47c1-87c1-8f809ff2bc9b | sub | Please substitute a halo in the molecule CCC[NH2+]C(c1ccc(Br)o1)c1cc(Br)c(Br)s1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC[NH2+]C(c1ccc(Br)o1)c1cc(Br)c(Br)s1 | CCC[NH2+]C(c1ccc(O)o1)c1cc(Br)c(Br)s1 | hydroxyl | halo |
c32d1e21-97fd-4637-b92d-23b1943473e2 | sub | Please substitute a halo in the molecule Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)s2)c1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)s2)c1 | Cc1cc(C#N)cc(NS(=O)(=O)c2ccc(Br)s2)c1 | nitrile | halo |
4c62fcf7-99ec-4f36-b322-6002b7205421 | sub | Please substitute a hydroxyl in the molecule CC12CCC3c4ccc(NS(=O)(=O)[O-])cc4CCC3(C=CCCCCCC[NH+]3CCOCC3)C1CCC2O with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CC12CCC3c4ccc(NS(=O)(=O)[O-])cc4CCC3(C=CCCCCCC[NH+]3CCOCC3)C1CCC2O | CC12CCC3c4ccc(NS(=O)(=O)[O-])cc4CCC3(C=CCCCCCC[NH+]3CCOCC3)C1CCC2S | thiol | hydroxyl |
0c863d0b-4684-4ea7-a8a7-291f25db6892 | sub | Please substitute a halo in the molecule CC(=O)c1cc(F)c(Br)c(Br)c1F with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)c1cc(F)c(Br)c(Br)c1F | CC(=O)c1cc(NO)c(Br)c(Br)c1F | nitro | halo |
7397e34a-ba91-4fd7-9fde-d1d6b9aec312 | sub | Please substitute a hydroxyl in the molecule O=C([O-])C(c1ccccc1)[NH+]1CCC(O)(P)CC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])C(c1ccccc1)[NH+]1CCC(O)(P)CC1 | ONC1(P)CC[NH+](C(C(=O)[O-])c2ccccc2)CC1 | nitro | hydroxyl |
e97c1f0f-b9e6-4fe3-a076-386f3fce9fb5 | sub | Modify the molecule Cc1ccc(OCCCCCS(=O)(=O)Cl)c(Cl)c1 by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(OCCCCCS(=O)(=O)Cl)c(Cl)c1 | Cc1ccc(OCCCCCS(=O)(=O)C#N)c(Cl)c1 | nitrile | halo |
8fdb194f-eef1-4282-afa1-816145cfe6ab | sub | Modify the molecule CCCCCCCC(O)Cc1ccc(CC)s1 by substituting a hydroxyl with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCC(O)Cc1ccc(CC)s1 | CCCCCCCC(C#N)Cc1ccc(CC)s1 | nitrile | hydroxyl |
0ec1d2e3-65dc-4b73-8d06-e134ca566689 | sub | Modify the molecule CCC(=O)Nc1ccc(C(C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 by substituting a nitro with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(=O)Nc1ccc(C(C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 | CCC(=O)Nc1ccc(C(C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc(I)c2)cc1 | halo | nitro |
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