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 |
|---|---|---|---|---|---|---|
54dccd7b-8071-4fad-9d97-81baf030443c | sub | Modify the molecule O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc(F)ccc2[nH]1 by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc(F)ccc2[nH]1 | O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 | nitro | halo |
5be53709-071c-40a4-9be8-d0a40660e77b | sub | Modify the molecule CC1=C(C#N)C(c2ccc(C#N)cc2)n2c(N)nnc2N1c1cccc(CF)c1 by substituting a nitrile with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1=C(C#N)C(c2ccc(C#N)cc2)n2c(N)nnc2N1c1cccc(CF)c1 | CC1=C(NO)C(c2ccc(C#N)cc2)n2c(N)nnc2N1c1cccc(CF)c1 | nitro | nitrile |
12c07e23-972e-4aa3-b5da-5c1a94f9e4ae | sub | Please substitute a halo in the molecule Cc1noc(-c2cccnc2N2CCC(Cc3cccc(F)c3)CC2)n1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1noc(-c2cccnc2N2CCC(Cc3cccc(F)c3)CC2)n1 | Cc1noc(-c2cccnc2N2CCC(Cc3cccc(C(=O)[OH])c3)CC2)n1 | carboxyl | halo |
0cd92bf2-a6a9-4957-9f42-489c477c71e0 | sub | Modify the molecule CC(O)CC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1 by substituting a nitrile with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(O)CC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1 | CC(=O)c1ccc(OC(C)C(=O)NCC(C)CC(C)O)cc1 | aldehyde | nitrile |
35a2f567-80ad-434d-9613-1db8b4d766cf | sub | Modify the molecule O=C([O-])c1ccc(O)c(C=Nc2ccc(I)cc2)c1 by substituting a hydroxyl with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])c1ccc(O)c(C=Nc2ccc(I)cc2)c1 | N#Cc1ccc(C(=O)[O-])cc1C=Nc1ccc(I)cc1 | nitrile | hydroxyl |
efe8b6c6-1871-4b3f-9d8c-c53a86d41210 | sub | Modify the molecule CC(CCNS(=O)(=O)CCO)c1ccccc1 by substituting a hydroxyl with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(CCNS(=O)(=O)CCO)c1ccccc1 | CC(CCNS(=O)(=O)CCBr)c1ccccc1 | halo | hydroxyl |
c86d349a-738a-40e7-a292-8a63a435d90f | sub | Please substitute a nitrile in the molecule CC(=O)c1ccc(C#N)c(NCCNc2ncc(Cl)cc2Cl)c1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)c1ccc(C#N)c(NCCNc2ncc(Cl)cc2Cl)c1 | CC(=O)c1ccc(C(=O)[OH])c(NCCNc2ncc(Cl)cc2Cl)c1 | carboxyl | nitrile |
8838dfc5-483b-4d01-8a2f-6d0b623547ca | sub | Please substitute a nitrile in the molecule COC(=O)CCCCNC(=O)C1C=C(C#N)C(SC)=NC1=O with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)CCCCNC(=O)C1C=C(C#N)C(SC)=NC1=O | COC(=O)CCCCNC(=O)C1C=C(S)C(SC)=NC1=O | thiol | nitrile |
29af02e8-3640-4afd-a30b-cbc4267a57fb | sub | Please substitute a halo in the molecule COc1ccc(CCn2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1OC with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(CCn2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1OC | COc1ccc(CCn2c(C)c(C)c3c2ncn2nc(-c4ccc(O)cc4)nc32)cc1OC | hydroxyl | halo |
1459970d-26ca-40db-a0fd-1ae407a17673 | sub | Please substitute a halo in the molecule CCC[NH2+]C(C)(CO)CCCCN(C)c1cccc(F)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC[NH2+]C(C)(CO)CCCCN(C)c1cccc(F)c1 | CC(=O)c1cccc(N(C)CCCCC(C)(CO)[NH2+]CCC)c1 | aldehyde | halo |
8e19f0e4-396e-4a2f-974d-843fc77729ae | sub | Please substitute a halo in the molecule O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)C3(CF)CC3)C4)ccc2[nH+]1)c1ccnc(F)c1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)C3(CF)CC3)C4)ccc2[nH+]1)c1ccnc(F)c1 | N#Cc1ccc(-c2nc3n(c2-c2ccc4[nH+]c(NC(=O)c5ccncc5)cn4n2)CCN(C(=O)C2(C)CC2)C3)cc1 | nitrile | halo |
d7030e70-7faa-40ad-98bc-9ab845876d7e | sub | Please substitute a halo in the molecule O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 | O=C(Cc1ccc(S)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 | thiol | halo |
3ef10911-3723-4ef1-b179-2944c8c37e57 | sub | Please substitute a hydroxyl in the molecule CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1 | CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(I)c2ccccc2)cc1 | halo | hydroxyl |
d4899406-d7f6-47d6-9eaf-6bd0a2dad1c5 | sub | Please substitute a halo in the molecule N=C(OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | N=C(OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl | N#CC(Cl)(Cl)C(=N)OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1 | nitrile | halo |
bb3af60a-f3ae-404b-a747-9a9114476f7a | sub | Modify the molecule CCOC1CC([NH3+])(C(=O)N(C)Cc2cccc(Cl)c2)C1(C)C by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC1CC([NH3+])(C(=O)N(C)Cc2cccc(Cl)c2)C1(C)C | CCOC1CC([NH3+])(C(=O)N(C)Cc2cccc(C=O)c2)C1(C)C | aldehyde | halo |
1f313e2e-0921-4918-94a4-ed27c371b74f | sub | Please substitute a hydroxyl in the molecule CCCN(C)C(=O)c1cc(-c2nnc(C)n2-c2ccccc2F)c(O)cc1O with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCN(C)C(=O)c1cc(-c2nnc(C)n2-c2ccccc2F)c(O)cc1O | CCCN(C)C(=O)c1cc(-c2nnc(C)n2-c2ccccc2F)c([N+](=O)[O-])cc1O | nitro | hydroxyl |
56acc92d-43e0-45a8-8287-c2b2de242f40 | sub | Modify the molecule CC(C)Cn1ncnc1CC(NN)c1ccncc1F by substituting a halo with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)Cn1ncnc1CC(NN)c1ccncc1F | CC(C)Cn1ncnc1CC(NN)c1ccncc1C#N | nitrile | halo |
7dfc5856-99f0-41c8-b6cc-aa6eea679265 | sub | Please substitute a halo in the molecule O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl | O=C1C(S)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl | thiol | halo |
79dc8f6f-0a80-4cd4-9526-a55542ba26f4 | sub | Modify the molecule CC(C)CCCC([NH3+])c1c(F)cccc1Cl by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CCCC([NH3+])c1c(F)cccc1Cl | CC(C)CCCC([NH3+])c1c(Cl)cccc1NO | nitro | halo |
5b25f5b7-7fce-40f8-8acb-77b08c55e140 | sub | Please substitute a nitrile in the molecule Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 | Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3c(c2C(=O)[OH])CCCC3)o1 | carboxyl | nitrile |
02f774fa-d2e9-4b06-aa39-156919f924ec | sub | Please substitute a halo in the molecule Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5c(F)cccc5F)cc4C)CC3)c2)c1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5c(F)cccc5F)cc4C)CC3)c2)c1 | Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5c(F)cccc5F)cc4C)CC3)c2)c1 | nitro | halo |
4fa07898-4605-4f24-8b27-9dde689b55e7 | sub | Please substitute a hydroxyl in the molecule CCC(CO)(Nc1ccccc1Cl)c1cccc(F)c1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CO)(Nc1ccccc1Cl)c1cccc(F)c1 | CCC(CC#N)(Nc1ccccc1Cl)c1cccc(F)c1 | nitrile | hydroxyl |
e23c216e-9713-45ae-a411-ee85b4a2c2f3 | sub | Please substitute a hydroxyl in the molecule CCc1ccc(-c2cc(C3(O)CCC4(CC3)OCCO4)nn2-c2ccc(OC)cc2)cc1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | CCc1ccc(-c2cc(C3(O)CCC4(CC3)OCCO4)nn2-c2ccc(OC)cc2)cc1 | CCc1ccc(-c2cc(C3(Cl)CCC4(CC3)OCCO4)nn2-c2ccc(OC)cc2)cc1 | halo | hydroxyl |
a6809128-0de5-4296-90c5-550f179c80ac | sub | Please substitute a halo in the molecule CCC(CSC)[NH2+]C1CCC(C(F)(F)F)CC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(CSC)[NH2+]C1CCC(C(F)(F)F)CC1 | CCC(CSC)[NH2+]C1CCC(C(F)(F)NO)CC1 | nitro | halo |
86c1fc39-9ad2-4d08-8ba3-d86e2540479e | sub | Please substitute a halo in the molecule Cc1ncccc1Oc1ccc(C=O)cc1F with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ncccc1Oc1ccc(C=O)cc1F | Cc1ncccc1Oc1ccc(C=O)cc1S | thiol | halo |
fbe2d81a-c20d-4f71-bbd7-ca8c67a44251 | sub | Please substitute a halo in the molecule Cc1cc(=O)[nH]c(C)c1C(F)F with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(=O)[nH]c(C)c1C(F)F | Cc1cc(=O)[nH]c(C)c1C(F)NO | nitro | halo |
01539081-a09a-4e89-891f-f04720a19741 | sub | Modify the molecule OB(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 by substituting a hydroxyl with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | OB(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 | OB(F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 | halo | hydroxyl |
0724a51e-baf8-4a62-a2c5-1e8852fad84c | sub | Modify the molecule CC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)[O-])cc4)c3)cc2)cc1O by substituting a hydroxyl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)[O-])cc4)c3)cc2)cc1O | CC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)[O-])cc4)c3)cc2)cc1C(=O)[OH] | carboxyl | hydroxyl |
cc105c41-2313-46b3-981d-ae7ae1690ab8 | sub | Please substitute a halo in the molecule NCC(N1CC[NH+](CC2CC2)CC1)C(F)(F)F with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | NCC(N1CC[NH+](CC2CC2)CC1)C(F)(F)F | NCC(N1CC[NH+](CC2CC2)CC1)C(F)(F)S | thiol | halo |
c67a6b98-7930-4f48-a36d-97fc30a22f85 | sub | Please substitute a halo in the molecule CC(C)CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br | CC(C)CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCCC(C)C)c(NO2)c2)cc1Br | nitro | halo |
52942b8e-62a0-4c92-9bbc-912fce6fb3fa | sub | Please substitute a hydroxyl in the molecule CCCCCCCOc1c(C(=O)N=Nc2c(O)[nH]c3ccccc23)sc(C(=O)N=Nc2c(O)[nH]c3ccccc23)c1OCCCCCCC with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCOc1c(C(=O)N=Nc2c(O)[nH]c3ccccc23)sc(C(=O)N=Nc2c(O)[nH]c3ccccc23)c1OCCCCCCC | CCCCCCCOc1c(C(=O)N=Nc2c(O)[nH]c3ccccc23)sc(C(=O)N=Nc2c(S)[nH]c3ccccc23)c1OCCCCCCC | thiol | hydroxyl |
7d2f7834-cbbd-456d-8193-c39377e8b231 | sub | Modify the molecule CCOCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(F)cc2)C1=O by substituting a halo with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(F)cc2)C1=O | CCOCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(O)cc2)C1=O | hydroxyl | halo |
5e8dd84c-4c73-49f0-b7a8-e4fd65cc8c23 | sub | Modify the molecule O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 | O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1 | carboxyl | halo |
ec8afd19-118f-4ae3-8c8d-c3f2c582bfbf | sub | Please substitute a nitrile in the molecule C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(C(=O)OCC)ccc21 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(C(=O)OCC)ccc21 | C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCF)CCC#N)cc2)sc2cc(C(=O)OCC)ccc21 | halo | nitrile |
c25b79c9-3b26-4b47-ac1d-79fb6b1ec069 | sub | Modify the molecule COC(C)(C)CCC(CBr)Cc1cccc(F)c1 by substituting a halo with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(C)(C)CCC(CBr)Cc1cccc(F)c1 | COC(C)(C)CCC(CC(=O)O)Cc1cccc(F)c1 | carboxyl | halo |
418fb7cf-d6a4-4f49-b5c9-70e4646cd0dc | sub | Please substitute a halo in the molecule CCn1c(=O)sc2cc(NC(=O)C(C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)ccc21 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCn1c(=O)sc2cc(NC(=O)C(C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)ccc21 | CCn1c(=O)sc2cc(NC(=O)C(C)N(c3cc(C=O)ccc3)S(C)(=O)=O)ccc21 | aldehyde | halo |
5bbdae55-4995-460f-a4de-bf2129c21153 | sub | Please substitute a halo in the molecule COc1ncnc(Nc2ccc(C)c(F)c2)c1N with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ncnc(Nc2ccc(C)c(F)c2)c1N | COc1ncnc(Nc2ccc(C)c(O)c2)c1N | hydroxyl | halo |
1efa4101-f9e4-4e75-a977-e91d73f3cfea | sub | Modify the molecule CC[NH+](CC)CC(C)NS(=O)(=O)CCCCl by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC[NH+](CC)CC(C)NS(=O)(=O)CCCCl | CC(=O)CCCS(=O)(=O)NC(C)C[NH+](CC)CC | aldehyde | halo |
d6dcb957-b192-435a-b82d-85122a44c841 | sub | Please substitute a halo in the molecule CC1CN(C(=O)c2cccc(F)c2NN)C(C)CO1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1CN(C(=O)c2cccc(F)c2NN)C(C)CO1 | CC1CN(C(=O)c2cccc(C(=O)[OH])c2NN)C(C)CO1 | carboxyl | halo |
e2a6521c-e925-47c9-9dee-909dd33d66f2 | sub | Please substitute a halo in the molecule COc1ccccc1C(=O)NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccccc1C(=O)NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 | COc1ccccc1C(=O)NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C=O)cc1 | aldehyde | halo |
c6d1fcb0-41db-47fc-bcde-dd3a0667088c | sub | Please substitute a halo in the molecule COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 | nitro | halo |
1e66f114-f6a0-481d-8391-bfe6a18fc964 | sub | Modify the molecule CCCC(=NOCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1Cl by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC(=NOCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1Cl | CCCC(=NOCc1ccc(NC(=O)NC(=O)c2c(F)cccc2NO)cc1Cl)c1ccc(Cl)cc1Cl | nitro | halo |
bc52e67b-d793-4310-b6b0-85915ca6af50 | sub | Please substitute a halo in the molecule Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1 | Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCCc2nc3cc(C(=O)[OH])ccc3s2)cc1 | carboxyl | halo |
aa76ef9c-d5b1-494f-b190-8c2d013b723a | sub | Please substitute a halo in the molecule O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 | O=C(c1ccccc1S)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 | thiol | halo |
78406a64-62d6-4475-af19-746b27d7767c | sub | Please substitute a hydroxyl in the molecule CC1=C(C=CC(O)c2ccc(C(=O)[O-])cc2)C(C)(C)CCC1 with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1=C(C=CC(O)c2ccc(C(=O)[O-])cc2)C(C)(C)CCC1 | CC1=C(C=CC(C#N)c2ccc(C(=O)[O-])cc2)C(C)(C)CCC1 | nitrile | hydroxyl |
c5071c57-7f84-4ccd-88c9-004767012597 | sub | Please substitute a halo in the molecule CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3Cl)n2C)cc1 with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3Cl)n2C)cc1 | CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(O)cc3Cl)n2C)cc1 | hydroxyl | halo |
5560705c-ee86-4148-90e6-205e2a2afc88 | sub | Please substitute a hydroxyl in the molecule O=C([O-])CN1CC[NH+](CC(=O)[O-])Cc2ccc(CCC(=O)NCCO)c(n2)C[NH+](CC(=O)[O-])CC1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])CN1CC[NH+](CC(=O)[O-])Cc2ccc(CCC(=O)NCCO)c(n2)C[NH+](CC(=O)[O-])CC1 | O=C([O-])CN1CC[NH+](CC(=O)[O-])Cc2ccc(CCC(=O)NCCI)c(n2)C[NH+](CC(=O)[O-])CC1 | halo | hydroxyl |
87c5674b-a623-463e-a8ab-5e7c122f9d53 | sub | Please substitute a halo in the molecule Cc1cc(F)c(Br)cc1NC(=O)NC1CCc2nnnn2CC1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(F)c(Br)cc1NC(=O)NC1CCc2nnnn2CC1 | CC(=O)c1cc(C)c(NC(=O)NC2CCc3nnnn3CC2)cc1Br | aldehyde | halo |
734e367e-8702-4ceb-9233-de6ca908d622 | sub | Please substitute a halo in the molecule O=C1CSC(NN=Cc2ccccc2OC(F)(F)F)=[NH+]1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1CSC(NN=Cc2ccccc2OC(F)(F)F)=[NH+]1 | O=C1CSC(NN=Cc2ccc(C=O)cc(OCH3)c2)=[NH+]1 | aldehyde | halo |
2d81407c-375f-4826-a488-94e5a73247d6 | sub | Please substitute a halo in the molecule CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4F)cc3C)CC2)ccc1OC with a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4F)cc3C)CC2)ccc1OC | CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4C#N)cc3C)CC2)ccc1OC | nitrile | halo |
e388830e-6b13-4f99-8647-78b4b758e48c | sub | Please substitute a halo in the molecule Cn1c(SCC(=O)[O-])nnc1-c1ccccc1C(F)(F)F with a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cn1c(SCC(=O)[O-])nnc1-c1ccccc1C(F)(F)F | Cn1c(SCC(=O)[O-])nnc1-c1ccccc1C(O)(F)F | hydroxyl | halo |
09673200-c9f5-4cc0-9b27-050a4d7fdb39 | sub | Modify the molecule OC(Cn1cncn1)(Cn1ccc2cc(Br)ccc21)c1ccc(Cl)cc1Cl by substituting a hydroxyl with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | OC(Cn1cncn1)(Cn1ccc2cc(Br)ccc21)c1ccc(Cl)cc1Cl | SC(Cn1cncn1)(Cn1ccc2cc(Br)ccc21)c1ccc(Cl)cc1Cl | thiol | hydroxyl |
167becc6-211f-44a4-b48f-c74e1b5a6fe2 | sub | Modify the molecule CCC(C)C(NC(C)=O)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)(CC)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)[O-])NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC1=O by substituting a hydroxyl with a nitrile.
Please wrap the final SMILES in <... | CCC(C)C(NC(C)=O)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)(CC)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)[O-])NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC1=O | CCC(C)C(NC(C)=O)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)C#N)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)(CC)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)[O-])NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC1=O | nitrile | hydroxyl |
68bd2735-9a96-4198-9258-e7019256a931 | sub | Please substitute a halo in the molecule O=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2ccc(F)c(F)c2)C1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2ccc(F)c(F)c2)C1 | O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2ccccc2)C1 | nitro | halo |
5959627a-194b-4a30-9404-6e95b471d66a | sub | Please substitute a halo in the molecule CCC(Br)C(=O)NCc1ccc(Cl)s1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(Br)C(=O)NCc1ccc(Cl)s1 | CC(=O)C(CC)C(=O)NCc1ccc(Cl)s1 | aldehyde | halo |
cc40c520-ad3a-4567-94c8-1eaa85cb359c | sub | Please substitute a hydroxyl in the molecule COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1 with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1 | COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 | nitro | hydroxyl |
bd07426a-61df-4f43-b61c-b68a0b0cdbff | sub | Please substitute a nitrile in the molecule CC(=O)C(C#N)S(C)(=O)=O with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(=O)C(C#N)S(C)(=O)=O | CC(=O)C(C(C)=O)S(C)(=O)=O | aldehyde | nitrile |
fcd02df4-ae36-4e99-875d-7c2b72112777 | sub | Modify the molecule CCCC(O)Cn1ccnc1C by substituting a hydroxyl with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCC(O)Cn1ccnc1C | CCCC(Cn1ccnc1C)C(=O)O | carboxyl | hydroxyl |
1ea49471-bcf7-43cb-81a9-fcccdb580ae3 | sub | Please substitute a hydroxyl in the molecule CC(C)c1cc(Br)cc2cc(C(O)C(C)C)oc12 with a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)c1cc(Br)cc2cc(C(O)C(C)C)oc12 | CC(C)c1cc(Br)cc2cc(C(C(=O)O)C(C)C)oc12 | carboxyl | hydroxyl |
d891a1c3-99b4-4b9e-a46c-7bd949535a81 | sub | Modify the molecule CCCCOCCC[NH2+]CCCOCC(F)(F)F by substituting a halo with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCOCCC[NH2+]CCCOCC(F)(F)F | CCCCOCCC[NH2+]CCCOCC(F)(F)NO | nitro | halo |
632461c2-5d6b-47b5-a352-a42be038703c | sub | Modify the molecule C[NH2+]CCC1(c2ccc(Br)cc2)OCCO1 by substituting a halo with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH2+]CCC1(c2ccc(Br)cc2)OCCO1 | CC(=O)c1ccc(C2(CC[NH2+]C)OCCO2)cc1 | aldehyde | halo |
960d6f62-4007-4ef0-a72f-8f7e2e4692a9 | sub | Please substitute a halo in the molecule CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(C)c(F)c3)CC2)c1C with a nitro.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(C)c(F)c3)CC2)c1C | CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(C)c(NO)c3)CC2)c1C | nitro | halo |
cefad4f8-213e-4f9e-a569-a90e2f06fa11 | sub | Modify the molecule O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c1 by substituting a hydroxyl with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c1 | O=C(OC1Cc2c(Br)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c1 | halo | hydroxyl |
63ba2cab-b1aa-4982-860d-82df2e39886c | sub | Please substitute a halo in the molecule NC(=S)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1 with a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | NC(=S)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1 | NC(=S)c1ccc(S(=O)(=O)Nc2ccc(S)cc2)s1 | thiol | halo |
4bbb97c6-2486-4224-80cb-1656e7902482 | sub | Please substitute a hydroxyl in the molecule Cc1cccc(C)c1NC(=O)C(c1cccc(O)c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1CCC1 with a halo.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cccc(C)c1NC(=O)C(c1cccc(O)c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1CCC1 | Cc1cccc(C)c1NC(=O)C(c1cccc(Cl)c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1CCC1 | halo | hydroxyl |
2c2040d8-0745-4927-abc5-133e46b347e0 | sub | Please substitute a halo in the molecule CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2F)cc1 with a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2F)cc1 | CC(=O)c1ccc(N2C(=O)C(CC(=O)Nc3ccc(OCC)cc3)N(Cc3ccccc3F)C2=S)cc1 | aldehyde | halo |
bb402b09-18b2-46bb-9492-8e8e406a688a | add | Modify the molecule CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)ccc1Cl by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)ccc1Cl | CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)cc(C(=O)O)c1Cl | carboxyl | null |
3fbc9069-ab7f-40ad-bb64-179f281541ce | add | Modify the molecule CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 | CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)CCC=O)cc1)Cc1ccc([N+](=O)[O-])cc1 | aldehyde | null |
315ba449-d2a8-4dbc-96fd-66d557ffbacb | add | Modify the molecule CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 | CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccc(O)cc3)c2c1 | hydroxyl | null |
3ddbe57c-68ee-4236-98d0-367caf02a6fd | add | Modify the molecule CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(C)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(C)C(=O)[O-] | CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)[O-] | benzene | null |
fb938603-35ee-48f8-a23a-f2378e3124bc | add | Please add a benzene ring to the molecule CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCC.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCC. | CCCCCCCCCCC(CCC(CCCCC)c1ccccc1)C(=O)OCCCCCCCC | benzene | null |
8d2c0411-314e-4cbe-8a41-056b8ba80d49 | add | Modify the molecule CCNc1ccc(C(=O)NCCc2noc(C)n2)cc1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCNc1ccc(C(=O)NCCc2noc(C)n2)cc1C | Cc1nc(CCNC(=O)c2ccc(NCCO)c(C)c2)no1 | hydroxyl | null |
3c1ed9e8-178f-4732-8b8f-37f114ac9840 | add | Modify the molecule CCOC(=O)C(C)OC(=O)OC(C#N)c1ccccc1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C(C)OC(=O)OC(C#N)c1ccccc1 | CCOC(=O)C(C)OC(=O)OC(S)(C#N)c1ccccc1 | thiol | null |
5e588180-b55e-4970-a623-7e63a4157ada | add | Modify the molecule O=C1OCCC2(CC2)N1c1cccc(Br)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C1OCCC2(CC2)N1c1cccc(Br)c1 | O=C1OCC(c2ccccc2)C2(CC2)N1c1cccc(Br)c1 | benzene | null |
553e2454-f260-4fd0-9896-748d2a0b4b0d | add | Modify the molecule Cc1c(CC(=O)[O-])nn2c1CCC2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1c(CC(=O)[O-])nn2c1CCC2 | Cc1c(CC(=O)[O-])nn2c1CCC2O | hydroxyl | null |
5ec00389-517e-4d2a-804a-0ff654e59335 | add | Please add a amine to the molecule CCCc1ccn2c(n1)nc1c3ccccc3[nH]c12.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCc1ccn2c(n1)nc1c3ccccc3[nH]c12. | CC(N)Cc1ccn2c(n1)nc1c3ccccc3[nH]c12 | amine | null |
48b98187-57e4-4e4d-ac11-0676456d8910 | add | Modify the molecule CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O | CC(OC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O)c1ccccc1 | benzene | null |
4698e715-af2d-4f56-9358-c3a832b3f3bb | add | Please add a benzene ring to the molecule CCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1. | Cc1cc(-c2snnc2C2CCN(C(=O)C(CCc3ccccc3)c3ccccc3)CC2)on1 | benzene | null |
dae6c4fa-4e13-44c2-8156-af2b788d1f33 | add | Modify the molecule CC(C)(C)C1=CC[NH+](CCN2CCC([NH3+])CC2)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)C1=CC[NH+](CCN2CCC([NH3+])CC2)CC1 | CC(C)(C)C1=C(c2ccccc2)C[NH+](CCN2CCC([NH3+])CC2)CC1 | benzene | null |
3469d005-785c-40d1-9a45-c53055d2b2b3 | add | Modify the molecule CCCCC(=CS(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCC(=CS(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1 | CCCCC(=CS(=O)(=O)c1ccc(C)c(-c2ccccc2)c1)[NH+]1CCCC1 | benzene | null |
c1f15841-4b47-42a1-9bd4-d60e2d7010c5 | add | Modify the molecule CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 | CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 | hydroxyl | null |
2c09bde0-6be9-4825-8a41-3f10262d8cfa | add | Modify the molecule Cc1ccc(C(=O)CCOCCC(C)C)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1ccc(C(=O)CCOCCC(C)C)cc1 | Cc1ccc(C(=O)CCOCCC(C)CO)cc1 | hydroxyl | null |
60dd36b4-2f9d-4711-b65f-25045ba6f62b | add | Please add a amine to the molecule CCC1(CC)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CCC1(CC)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O. | CCC1(CC)NC(=O)CC(N)N(c2ccc(Br)cc2Br)C1=O | amine | null |
144257b3-f819-4cfd-a072-9f6a9ee337a9 | add | Please add a amine to the molecule C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C=CC1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C=CC1=O. | C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C(N)=CC1=O | amine | null |
36ff2a43-867f-4d47-8c0e-ca1f0f45a48c | add | Modify the molecule CC(C)(C)C(=O)C(=O)NCC(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(C)C(=O)C(=O)NCC(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1 | CC(C)(C)C(=O)C(=O)NC(O)C(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1 | hydroxyl | null |
bc07ede9-17ba-4bbf-92d9-5c47dcea4efc | add | Modify the molecule CC(C)(O)CCSc1cc2ccccc2[nH]1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | CC(C)(O)CCSc1cc2ccccc2[nH]1 | CC(C)(O)CCSc1cc2c(O)cccc2[nH]1 | hydroxyl | null |
636598f8-90bd-4384-9aa1-11e86665610d | add | Please add a hydroxyl to the molecule COC(CNC(=O)N(C)C)CC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>. | COC(CNC(=O)N(C)C)CC(=O)[O-]. | COC(OH)(CNC(=O)N(C)C)CC(=O)[O-] | hydroxyl | null |
7ad9efca-939e-417c-937b-9475b173ff3a | add | Please add a hydroxyl to the molecule C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1. | C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1O | hydroxyl | null |
61eedbfd-70e3-4c3b-b9c0-2fc063cdde10 | add | Modify the molecule C=CCc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CCc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 | C=CCc1c(OCc2ccc(C(=O)[O-])cc2)c(OCC)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1-c1ccccc1 | benzene | null |
8b99358d-b565-4ba2-b70e-f32aa9307cf7 | add | Modify the molecule O=C(C1CCCC[NH2+]1)N1CCCC2(CC[NH2+]C2)C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C(C1CCCC[NH2+]1)N1CCCC2(CC[NH2+]C2)C1 | O=CCC1CCN(C(=O)C2CCCC[NH2+]2)CC12CC[NH2+]C2 | aldehyde | null |
5135f3f7-3c5d-48e1-acf0-2098eeb75d13 | add | Please add a benzene ring to the molecule N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>. | N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCCC1. | N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCC(c2ccccc2)C1 | benzene | null |
791af4ab-b1b2-4687-9115-2e736f488f5d | add | Modify the molecule COC(=O)c1ccc(CCC2CCOCC2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | COC(=O)c1ccc(CCC2CCOCC2)cc1 | O=C(OCc1ccccc1)c1ccc(CCC2CCOCC2)cc1 | benzene | null |
ad235cc1-8dc8-42b0-9034-9228b9922d82 | add | Modify the molecule Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(C)c1 | Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(CO)c1 | hydroxyl | null |
bdd99ba9-4919-41ed-bc4c-fb5c67c36d20 | add | Please add a benzene ring to the molecule C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>. | C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OC. | C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)c(-c2ccccc2)c1OC | benzene | null |
ae631305-1820-4391-b35a-9266dbdbd399 | add | Modify the molecule C[NH+]1CCN(C(=[NH2+])C(C)(C)c2ccc(F)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCN(C(=[NH2+])C(C)(C)c2ccc(F)cc2)CC1 | CC(C)(C(=[NH2+])N1CC[NH+](CO)CC1)c1ccc(F)cc1 | hydroxyl | null |
32d54dd0-6600-405e-a79a-334e5a6f34d7 | add | Please add a aldehyde to the molecule O=C([O-])c1cc(Cl)cc(NS(=O)(=O)N2CCCC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>. | O=C([O-])c1cc(Cl)cc(NS(=O)(=O)N2CCCC2)c1. | O=CCc1c(Cl)cc(NS(=O)(=O)N2CCCC2)cc1C(=O)[O-] | aldehyde | null |
28497fef-2839-4fb6-94d7-59168440a603 | add | Modify the molecule CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 | CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 | benzene | null |
4064e13d-0c26-4ac9-ac54-6cb976cd5f1b | add | Please add a amine to the molecule CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(Cc2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>. | CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(Cc2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O. | CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(C(N)c2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O | amine | null |
839f041b-c539-4bbb-9106-257ae87ca758 | add | Please add a aldehyde to the molecule C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C=CC3C1C5.
Please wrap the final SMILES in <smiles>...</smiles>. | C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C=CC3C1C5. | C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C(CC=O)=CC3C1C5 | aldehyde | null |
732fd2ca-e03d-4c52-9e77-fa505736989b | add | Please add a hydroxyl to the molecule CCCCOC(=O)c1ccc(NC(C)=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>. | CCCCOC(=O)c1ccc(NC(C)=O)cc1. | CCCCOHC(=O)c1ccc(NC(C)=O)cc1 | hydroxyl | null |
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