[
{
"id": "033879d5-1f8a-42fa-b12a-996015454f70",
"task": "delete",
"question": "Please remove a nitrile from the molecule C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccc(C#N)cc1)C32.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccc(C#N)cc1)C32.",
"ref_smiles": "C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccccc1)C32",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "a4b073dd-a60c-463d-9707-ff81efd2374a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1F)C(C)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1F)C(C)=O.",
"ref_smiles": "CCN(C)C(=O)CN(CCc1ccccc1F)C(C)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2d407d50-a5cb-42eb-9652-315805d8b778",
"task": "delete",
"question": "Modify the molecule O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCSCC2)c(Cl)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCSCC2)c(Cl)c1",
"ref_smiles": "O=C(CNC(=O)N(Cl)N1CCSCC1)N1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0def4790-bdb5-4ea3-89d5-552795a4f425",
"task": "delete",
"question": "Modify the molecule CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1",
"ref_smiles": "CC1CN(C2CCCC2)CC(C)[NH2+]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "9562a282-ddf5-434d-b4b3-c9ec0cdb27d8",
"task": "delete",
"question": "Modify the molecule COc1ccc(Cl)c(C(F)(F)F)c1N by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Cl)c(C(F)(F)F)c1N",
"ref_smiles": "COc1cccc(C(F)(F)F)c1N",
"add_group": null,
"remove_group": "halo"
},
{
"id": "939d6c6c-c3d8-486a-8084-d1c6354fbbdf",
"task": "delete",
"question": "Modify the molecule O=C(Nc1ccccc1Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Nc1ccccc1Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1",
"ref_smiles": "O=C(NCc1ccccc1)N(Cc1ccncc1)Cc1cccnc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c115ffe9-b224-4a70-8a51-b905be6cc368",
"task": "delete",
"question": "Modify the molecule CCN1c2cc(C(F)(F)F)ccc2CC1CC(C)O by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN1c2cc(C(F)(F)F)ccc2CC1CC(C)O",
"ref_smiles": "CCN1c2cc(C(F)F)ccc2CC1CC(C)O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4159e951-4bf0-4140-8203-16b0b0ab5f84",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1ccc(CC)cc1CCC(=O)c1c(OCC)ccc(OCC)c1OCC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(CC)cc1CCC(=O)c1c(OCC)ccc(OCC)c1OCC.",
"ref_smiles": "CCOc1ccc(OCC)c(C(=O)CC(CC)OCC)c1OCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7bf136fd-062f-43af-8a76-68fd9167e254",
"task": "delete",
"question": "Modify the molecule CCc1nnc2nc(N)nc(N)c2n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nnc2nc(N)nc(N)c2n1",
"ref_smiles": "CCc1nnc2nc(N)ncc2n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "200e8a4d-bcce-4356-ae2c-2bff33837c24",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1.",
"ref_smiles": "Cc1cccc(CCc2c[nH]c3ccccc23)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "0f2dd5d2-bb31-4886-9f4b-3362cd50c19c",
"task": "delete",
"question": "Please remove a halo from the molecule CCC1CCCC(Oc2c(F)cccc2C(C)[NH3+])C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CCCC(Oc2c(F)cccc2C(C)[NH3+])C1.",
"ref_smiles": "CCC1CCCC(Oc2ccccc2C(C)[NH3+])C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "45cabc5d-f287-4d5d-8fa8-45e844175068",
"task": "delete",
"question": "Please remove a halo from the molecule CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Cl)cccc2-3)no1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Cl)cccc2-3)no1.",
"ref_smiles": "CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2ccccc2-3)no1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "cac37a3b-e003-4c1e-b266-284596010163",
"task": "delete",
"question": "Modify the molecule CCc1nn(C)cc1Nc1ccc(C(F)(F)F)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nn(C)cc1Nc1ccc(C(F)(F)F)cc1",
"ref_smiles": "CCc1nn(C)cc1NC(F)(F)F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "037efc8e-8a67-4d40-9781-4aebb5fdda1c",
"task": "delete",
"question": "Modify the molecule CCC(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl",
"ref_smiles": "CCC(C)C(C)n1[nH]c(C(C)C)c-1S(=O)(=O)Cl",
"add_group": null,
"remove_group": "amide"
},
{
"id": "643269e4-d3f4-4a77-b8ec-94c0b580bbc1",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule C[NH2+]C(C)(C)C(O)C1=CCCO1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(C)(C)C(O)C1=CCCO1.",
"ref_smiles": "C[NH2+]C(C)(C)CC1=CCCO1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "19f1a208-eba8-416b-86f7-5f14c561d912",
"task": "delete",
"question": "Modify the molecule CC([NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1Cl by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC([NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1Cl",
"ref_smiles": "CC(Cl)(Cl)[NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "80968d87-dcdf-4c74-b719-3d8b0445b8ae",
"task": "delete",
"question": "Modify the molecule Cc1ccc(NC(=S)NCc2ccco2)c(Br)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=S)NCc2ccco2)c(Br)c1",
"ref_smiles": "Cc1ccc(C(=S)NCc2ccco2)c(Br)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "62a6adbd-a274-4334-9aa0-ecb7bcd3fe19",
"task": "delete",
"question": "Modify the molecule Cc1ccncc1CNC(=O)CC1C[NH2+]C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccncc1CNC(=O)CC1C[NH2+]C1",
"ref_smiles": "Cc1ccncc1CC1C[NH2+]C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4b731439-0db5-4c75-9d21-69512860ede4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(-c2noc(CCNC(=O)Cc3ccccc3)n2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2noc(CCNC(=O)Cc3ccccc3)n2)cc1.",
"ref_smiles": "Cc1noc(CCNC(=O)Cc2ccccc2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c8b035ae-4c99-4da7-9fd4-499484a8ac9c",
"task": "delete",
"question": "Please remove a halo from the molecule C[NH+](C)CCn1ncc(Br)c1C(=O)c1csc(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CCn1ncc(Br)c1C(=O)c1csc(Br)c1.",
"ref_smiles": "C[NH+](C)CCn1ncc(Br)c1C(=O)c1ccsc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "88492b51-e902-4432-bb98-a6a6cdab40ff",
"task": "delete",
"question": "Please remove a amide from the molecule NC(=O)C(CCC(F)(F)F)C(CC1CC1)C(=O)NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)C(CCC(F)(F)F)C(CC1CC1)C(=O)NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O.",
"ref_smiles": "O=C(NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O)C(CCC(F)(F)F)CC1CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e060d37d-3d84-40da-a497-f818945a2406",
"task": "delete",
"question": "Modify the molecule COCCC(C)Nc1cc(C)[nH+]cc1C(=O)[O-] by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCC(C)Nc1cc(C)[nH+]cc1C(=O)[O-]",
"ref_smiles": "COCCC(C)c1cc(C)[nH+]cc1C(=O)[O-]",
"add_group": null,
"remove_group": "amine"
},
{
"id": "40502daf-7530-4d76-9461-a6d8efa0fe2c",
"task": "delete",
"question": "Please remove a carboxyl from the molecule O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NC(CO)C(=O)O.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NC(CO)C(=O)O.",
"ref_smiles": "O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NCCO",
"add_group": null,
"remove_group": "carboxyl"
},
{
"id": "0e6e65f0-cb90-4cc3-9e76-15e7863857f9",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br",
"ref_smiles": "CCNC(=O)CCC(=O)NNC(=O)c1ccc(OCC)c(Br)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ab24ed6e-04d8-46f3-a840-513683bfff14",
"task": "delete",
"question": "Modify the molecule CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccccc3)n(Cc3cccc4ccccc34)nc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccccc3)n(Cc3cccc4ccccc34)nc21",
"ref_smiles": "CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)nc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "20812e45-58ff-40b3-8989-79d101854a5a",
"task": "delete",
"question": "Modify the molecule N#Cc1ccc2nnc(C3CCC(F)(F)C3)n2c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1ccc2nnc(C3CCC(F)(F)C3)n2c1",
"ref_smiles": "N#Cc1ccc2nnc(C3CCC(F)C3)n2c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "faf6843f-a962-4447-a221-3ec9f8361440",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Fc1cc(Br)cnc1OCCCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Fc1cc(Br)cnc1OCCCc1ccccc1.",
"ref_smiles": "CCCOc1ncc(Br)cc1F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b7be7186-161d-4d77-a269-19fb9f8db1a0",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC1CCC(C(C)C)C([NH+](Cc2ccc(O)c(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCC(C(C)C)C([NH+](Cc2ccc(O)c(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1.",
"ref_smiles": "CC1CCC(C(C)C)C([NH+](Cc2cccc(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "13dd2526-4d2f-45ef-85be-f2fe33a6649f",
"task": "delete",
"question": "Please remove a halo from the molecule Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(F)cc1.",
"ref_smiles": "Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b993f452-b5d0-4c55-879e-8d138deb399f",
"task": "delete",
"question": "Modify the molecule C=CC([NH+]=C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1)=c1ccnc2c1=CC(c1ccccc1OC)=N2 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC([NH+]=C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1)=c1ccnc2c1=CC(c1ccccc1OC)=N2",
"ref_smiles": "C=CC(=c1ccnc2c1=CC(c1ccccc1OC)=N2)C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "873c1942-b443-4105-ad4f-6ddcecd6cf87",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(O)C(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(O)C(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12.",
"ref_smiles": "CCC(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "0fc07171-f991-48d1-bb6d-9c37fbfbc9df",
"task": "delete",
"question": "Modify the molecule O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1",
"ref_smiles": "O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1ccccc1-c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "dc4ef4e6-4131-4e1e-a564-d2c4453adb57",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.",
"ref_smiles": "COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1ccccc1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "52545c5d-f01f-4da9-8fe3-132cc5a9cee1",
"task": "delete",
"question": "Modify the molecule COc1cccc(CNC(=O)C(=O)Nc2nccs2)c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(CNC(=O)C(=O)Nc2nccs2)c1",
"ref_smiles": "COc1cccc(CNOc2nccs2)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6716d7b3-7df6-4a71-8867-c42520dfb247",
"task": "delete",
"question": "Modify the molecule COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1",
"ref_smiles": "COc1ccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "151ae50c-3383-4bfa-be61-096588f740fd",
"task": "delete",
"question": "Modify the molecule CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1",
"ref_smiles": "CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2ccccc2Cl)C2CC2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e076313c-a67c-4114-9e15-dee05b00093c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccccc1.",
"ref_smiles": "CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "80acd3fe-805d-4265-8842-9190bba90f73",
"task": "delete",
"question": "Modify the molecule CSc1nc(C2CC2)cc(C(=O)OC(C)C(=O)NC2CC2)c1C#N by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSc1nc(C2CC2)cc(C(=O)OC(C)C(=O)NC2CC2)c1C#N",
"ref_smiles": "CSc1cc(C(=O)OC(C)C(=O)NC2CC2)cc(C2CC2)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "bfe27c3c-f037-4e5f-a8ff-614dbbc3afd3",
"task": "delete",
"question": "Modify the molecule COc1ccc(CC(=O)NC2C[NH2+]Cc3ccccc32)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC(=O)NC2C[NH2+]Cc3ccccc32)cc1",
"ref_smiles": "COCC(=O)NC1C[NH2+]Cc2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0e162b06-abd7-4cf8-a5cd-3dc3cb628a6a",
"task": "delete",
"question": "Modify the molecule Cc1nnc(-n2ccc(C(C)C)n2)c(C(N)=S)c1C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nnc(-n2ccc(C(C)C)n2)c(C(N)=S)c1C",
"ref_smiles": "Cc1nnc(-n2ccc(C(C)C)n2)c(C=S)c1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4f1d1663-4929-496a-9fe9-bcc12d5fa5bf",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccccc1.",
"ref_smiles": "CCNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9d0bb432-1abf-4ade-ab91-896f5497e1e0",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(SC(c2cccc(C(F)(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(SC(c2cccc(C(F)(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-].",
"ref_smiles": "Cc1cc(SC(c2cccc(C(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6dadb22f-22a1-4bcf-b09b-c2d3bc338095",
"task": "delete",
"question": "Modify the molecule O=C(c1cncc(Br)c1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1cncc(Br)c1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1",
"ref_smiles": "O=C(c1cccnc1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b4ba3b0e-77c1-4d09-b306-ee30597f8a62",
"task": "delete",
"question": "Modify the molecule CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1",
"ref_smiles": "CCCN(CCC)S(=O)(=O)C(=O)Nc1cc(C)cc(C)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3bdfeb25-a326-43c4-adcc-99a368b7a358",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC1=CCC2C[NH2+]C(O)c3cc([nH]c32)-c2cccc3ncc(nc23)NC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1=CCC2C[NH2+]C(O)c3cc([nH]c32)-c2cccc3ncc(nc23)NC1.",
"ref_smiles": "CC1=CCC2C[NH2+]Cc3cc([nH]c32)-c2cccc3ncc(nc23)NC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1d386173-021d-4651-afb4-601203553a99",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1.",
"ref_smiles": "O=C(Nc1ccc(Oc2cccc3c2ccn3C2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "21ffae1c-f191-4ce2-a3e4-9645d90faa16",
"task": "delete",
"question": "Modify the molecule CC[NH+](CCC(N)=S)CC(=O)NC1CCCC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+](CCC(N)=S)CC(=O)NC1CCCC1",
"ref_smiles": "CC[NH+](CCC=S)CC(=O)NC1CCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a0b0bdfc-f95e-408f-a4b8-1653be27c2ce",
"task": "delete",
"question": "Modify the molecule Cc1cccc(-n2ncc3cc(C#N)cnc32)c1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(-n2ncc3cc(C#N)cnc32)c1",
"ref_smiles": "Cc1cccc(-n2ncc3cccnc32)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "e409afe3-ce9a-414b-8e45-d2e966681fbf",
"task": "delete",
"question": "Modify the molecule COc1ccccc1C1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1C1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1",
"ref_smiles": "COC1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "24038a0a-7a5f-4786-a25c-beb0aaa33d05",
"task": "delete",
"question": "Modify the molecule O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1",
"ref_smiles": "O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "211714ea-d6e9-44cc-b56b-a41ea6bbea49",
"task": "delete",
"question": "Modify the molecule COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3cc(F)ccc3n(C)c12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3cc(F)ccc3n(C)c12",
"ref_smiles": "COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3ccccc3n(C)c12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c00ebec7-ffde-4c8b-81cf-d5f5bd101020",
"task": "delete",
"question": "Please remove a amine from the molecule NS(=O)(=O)Oc1ccc2oc(C3CCCC3)cc(=O)c2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "NS(=O)(=O)Oc1ccc2oc(C3CCCC3)cc(=O)c2c1.",
"ref_smiles": "O=c1cc(C2CCCC2)oc2ccc(O[SH](=O)=O)cc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "35ae4048-7146-4d1c-83f2-69c80fda37dd",
"task": "delete",
"question": "Please remove a halo from the molecule CC1C([Si](C)(C)F)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1C([Si](C)(C)F)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12.",
"ref_smiles": "CC1C([Si](C)C)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b6c063a2-22ca-40b1-a69b-3ba317d2eb53",
"task": "delete",
"question": "Please remove a halo from the molecule CC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC[NH2+]CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC[NH2+]CC1.",
"ref_smiles": "CC1(CNC(=O)C(C)(C)Cc2ccccc2)CC[NH2+]CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3bab040f-0a9a-4f77-beff-bcf391d0e0a3",
"task": "delete",
"question": "Modify the molecule C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)c3ccc([N+](=O)[O-])cc3)nc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)c3ccc([N+](=O)[O-])cc3)nc21",
"ref_smiles": "C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)[N+](=O)[O-])nc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0d12938b-ce3f-4003-bb3a-76a59055f08d",
"task": "delete",
"question": "Modify the molecule O=C(NCc1ccc(F)cc1)C1CCc2[nH]c3ccccc3c2C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCc1ccc(F)cc1)C1CCc2[nH]c3ccccc3c2C1",
"ref_smiles": "Fc1ccc(CC2Cc3[nH]c4ccccc4c3C2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e4e55837-48db-4f90-802e-b0c2c028d7bd",
"task": "delete",
"question": "Modify the molecule COCCN(c1cccc(O)c1)c1nc(C(C)Nc2ncnc(N)c2C#N)nn2ccc(C)c12 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCN(c1cccc(O)c1)c1nc(C(C)Nc2ncnc(N)c2C#N)nn2ccc(C)c12",
"ref_smiles": "COCCN(c1cccc(O)c1)c1nc(C(C)c2ncnc(N)c2C#N)nn2ccc(C)c12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "389fd82c-af26-4211-8999-2371acbc3abe",
"task": "delete",
"question": "Modify the molecule COc1ccc(C(Cc2ccc(C)cc2)c2csc(N)n2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C(Cc2ccc(C)cc2)c2csc(N)n2)cc1",
"ref_smiles": "COc1ccc(C(Cc2ccc(C)cc2)c2cscn2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "51aed955-cf5d-4b7f-9adf-e81724b7f1c6",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1nc(C=CC(=O)NCCc2ccc(OCc3ccccc3)cc2)cs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(C=CC(=O)NCCc2ccc(OCc3ccccc3)cc2)cs1.",
"ref_smiles": "Cc1nc(CCCc2ccc(OCc3ccccc3)cc2)cs1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5f3d7a2e-7504-4f3f-a31d-c23f42ae7185",
"task": "delete",
"question": "Modify the molecule NS(=O)(=O)CCOCCOc1ccc(C(F)(F)F)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "NS(=O)(=O)CCOCCOc1ccc(C(F)(F)F)cc1",
"ref_smiles": "NS(=O)(=O)CCOCCOc1ccc(C(F)F)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2648466d-0aac-4a9a-9e49-251ae972cd33",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C1NCC(c2cccs2)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1NCC(c2cccs2)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2.",
"ref_smiles": "O=C1NCC(c2cccs2)C12CC[NH+](C1CCCCC1)CC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "22cbe031-a507-4cc1-9b16-d37cf9325ad4",
"task": "delete",
"question": "Please remove a amide from the molecule CC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1.",
"ref_smiles": "Cc1cc(C)cc(NC(=O)Cc2ccc(N3CCCC3)cc2)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "de559119-a685-46dd-827e-5a9ffb31a508",
"task": "delete",
"question": "Please remove a amide from the molecule CC(CCO)NC(=O)c1n[nH]c(C2CC2)c1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(CCO)NC(=O)c1n[nH]c(C2CC2)c1N.",
"ref_smiles": "CC(CCO)n1[nH]c(C2CC2)c-1N",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2b7777cf-03be-48d2-bd1b-d5d664a7b7ae",
"task": "delete",
"question": "Modify the molecule Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2N)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2N)cc1",
"ref_smiles": "Cc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1N",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b31dfb81-1ad6-4a5e-82c5-10fefc91ee82",
"task": "delete",
"question": "Modify the molecule CCN(CC)c1ccc(Nc2ccnc(Nc3ccccc3OC)n2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(CC)c1ccc(Nc2ccnc(Nc3ccccc3OC)n2)cc1",
"ref_smiles": "CCN(CC)c1ccc(-c2ccnc(Nc3ccccc3OC)n2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "bf96a4e3-0ad8-4ff0-a024-9fc943f48f3b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(CCC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(CCC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1.",
"ref_smiles": "CC(CCC(=O)[O-])[NH2+]CN(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9abc92f2-0ef9-4f2d-87f9-e05b091c6e10",
"task": "delete",
"question": "Modify the molecule Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC1CCCCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC1CCCCC1",
"ref_smiles": "Cc1ncccc1C(=O)N(C)CC1CCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "13e4cc30-59e2-4695-9a55-ab6e985f0c56",
"task": "delete",
"question": "Modify the molecule N#CC1CCCC1NC(=O)c1cc(F)c(F)c([O-])c1F by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CC1CCCC1NC(=O)c1cc(F)c(F)c([O-])c1F",
"ref_smiles": "O=C(NC1CCCC1)c1cc(F)c(F)c([O-])c1F",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "240cfa50-5212-491d-9bed-bed52052cf4c",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cc(C=C2OCCC2=O)ccc1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C=C2OCCC2=O)ccc1O.",
"ref_smiles": "Cc1cccc(C=C2OCCC2=O)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "7a59bc42-9e69-4e2f-94c0-457bcb04e8aa",
"task": "delete",
"question": "Modify the molecule CC[NH+](CC)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(Cl)cccc2s1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+](CC)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(Cl)cccc2s1",
"ref_smiles": "CC[NH+](CC)CCN(C(=O)CCSc1ccccc1)c1nc2c(Cl)cccc2s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "19e98e98-bdd9-4261-845e-3a64295aea10",
"task": "delete",
"question": "Please remove a amine from the molecule CCC(C(N)=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C(N)=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1.",
"ref_smiles": "CCC(C=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "efb6149a-ef83-417a-ba00-b812f3e10c0e",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1.",
"ref_smiles": "Cc1ccc(-c2cc(CF)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6ad2e6fc-1425-40f9-ba53-2ca6440beb6c",
"task": "delete",
"question": "Modify the molecule CCc1ccc(-c2nccn2S(C)(=O)=O)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(-c2nccn2S(C)(=O)=O)cc1",
"ref_smiles": "CCc1nccn1S(C)(=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4abf81c4-bb73-4888-8440-44f99e0b53ff",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CNc1cc(C)ccc1C(=O)N(CCCO)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNc1cc(C)ccc1C(=O)N(CCCO)C(C)C.",
"ref_smiles": "CNCC(=O)N(CCCO)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b3892200-bab7-47f9-86ec-f2139db01f3e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(CC(C)[NH2+]C2CCCC2SC)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC(C)[NH2+]C2CCCC2SC)cc1.",
"ref_smiles": "COCC(C)[NH2+]C1CCCC1SC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "742b7d2a-4788-4afa-aa2f-86957dcf82f0",
"task": "delete",
"question": "Please remove a amine from the molecule CCCNC(NCC[NH+]1CCN(CC)CC1)=[NH+]C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCNC(NCC[NH+]1CCN(CC)CC1)=[NH+]C.",
"ref_smiles": "CCCNC(CC[NH+]1CCN(CC)CC1)=[NH+]C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "2d0c8b0d-66df-4315-b724-1534b21e8f20",
"task": "delete",
"question": "Modify the molecule CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1",
"ref_smiles": "CS(=O)(=O)N1CCN(C(=O)NOc2ccccc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "857f43c6-cd8c-4c95-961d-9730b818feca",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1.",
"ref_smiles": "COc1ccc(S(=O)(=O)N(F)CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cd24bb3f-2b18-4b97-97de-0d9d9fe2afce",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCN(c2ccccc2)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCN(c2ccccc2)C1=O.",
"ref_smiles": "O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCNC1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a1f5b354-7cc6-4752-a1a0-b703bc099f16",
"task": "delete",
"question": "Please remove a amine from the molecule CC(C)(C)Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1.",
"ref_smiles": "CC(C)(C)c1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "dbb77e04-4c06-426e-b3ab-9e181ac213f4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1.",
"ref_smiles": "CONC(=O)NCc1nc2ccccc2[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "bff59894-f0aa-4367-9712-7db13b603f48",
"task": "delete",
"question": "Please remove a amine from the molecule CCCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1.",
"ref_smiles": "CCCn1nc2cnc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1266e581-b08a-40ec-9708-f3eeb5982a6b",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCCOc1cc2nn(-c3cccc(O)c3)nc2cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOc1cc2nn(-c3cccc(O)c3)nc2cc1C.",
"ref_smiles": "CCCCOc1cc2nn(-c3ccccc3)nc2cc1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "69b20f44-dca4-4b32-bbfb-9caa65149b23",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(CC1CCCC1)N1CCOCC(F)(F)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC1CCCC1)N1CCOCC(F)(F)C1.",
"ref_smiles": "O=C(CC1CCCC1)N1CCOCC(F)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "12b8c428-4049-4507-9343-b1b3313d881f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCn1c(=O)[nH]c(=O)c2cc(-c3ccccc3)[nH]c21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCn1c(=O)[nH]c(=O)c2cc(-c3ccccc3)[nH]c21.",
"ref_smiles": "CCCn1c(=O)[nH]c(=O)c2cc[nH]c21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "984a8263-65a4-437a-a64e-647a56a0d4d5",
"task": "delete",
"question": "Modify the molecule C=C(CO)CCC(C)NS(=O)(=O)c1ccc(C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(CO)CCC(C)NS(=O)(=O)c1ccc(C)cc1",
"ref_smiles": "C=C(CO)CCC(C)NS(C)(=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c469023e-f3d5-49ae-865f-a87b96358bc1",
"task": "delete",
"question": "Please remove a amide from the molecule CC1CCc2sc(-c3nnc(SCC(=O)NC4CCCCC4C)o3)cc2C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCc2sc(-c3nnc(SCC(=O)NC4CCCCC4C)o3)cc2C1.",
"ref_smiles": "CC1CCc2sc(-c3nnc(SC4CCCCC4C)o3)cc2C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "beacff15-b8e6-434c-896b-77109d0399aa",
"task": "delete",
"question": "Please remove a amine from the molecule CCCCCCC(C)Nc1cc([N+](=O)[O-])c(C)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCC(C)Nc1cc([N+](=O)[O-])c(C)cc1C.",
"ref_smiles": "CCCCCCC(C)c1cc([N+](=O)[O-])c(C)cc1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "09855e25-6bb7-402d-a7b6-c4662734865f",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(CCCc1c[nH]c2ccccc12)NCCCc1nnc2ccccn12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCCc1c[nH]c2ccccc12)NCCCc1nnc2ccccn12.",
"ref_smiles": "c1ccc2c(CCCCCc3nnc4ccccn34)c[nH]c2c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "23c37382-8595-48ec-bdd2-246e900e3291",
"task": "delete",
"question": "Modify the molecule CC1CCC(CC(C[NH3+])Cc2ccc(Cl)cc2)O1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCC(CC(C[NH3+])Cc2ccc(Cl)cc2)O1",
"ref_smiles": "CC1CCC(CC(C[NH3+])CCl)O1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "63874f25-6810-456a-a854-d7b585347d6e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)Sc2ccccc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)Sc2ccccc2)cc1.",
"ref_smiles": "CC(C)(C)[Si](C)(C)OC=CC(=O)Sc1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "89a3f10d-14eb-4b6a-8810-c1b2e962ea67",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1.",
"ref_smiles": "Cc1cccc(Cn2ccc(-c3cccnc3)n2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "636c777f-f343-4370-853d-96adb23148ce",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1.",
"ref_smiles": "COc1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0eff7bca-17d2-40c3-b2ad-bc50a192abef",
"task": "delete",
"question": "Modify the molecule C[NH+](CC1CCCC1O)C1CCN(c2ccccc2Cl)C1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](CC1CCCC1O)C1CCN(c2ccccc2Cl)C1=O",
"ref_smiles": "C[NH+](CC1CCCC1O)C1CCN(Cl)C1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8ac17661-a875-4bde-9486-4cdddda126c1",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1",
"ref_smiles": "CCOc1nsc(NC(=O)C2CC2C)c1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cae41e4a-3e4b-4846-b88e-ea47c5292c7e",
"task": "delete",
"question": "Modify the molecule O=C(NCc1c[nH]c2ncc(Cl)cc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCc1c[nH]c2ncc(Cl)cc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F",
"ref_smiles": "O=C(NCc1c[nH]c2ncccc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "696b14aa-c872-4ca4-91dc-62ce2d70f3eb",
"task": "delete",
"question": "Modify the molecule COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2C)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2C)n1",
"ref_smiles": "COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2ccccc2C)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "80dd64ca-ce3b-4973-a38f-769d84c6cc39",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(Nc1ccnc(N2CCOCC2)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Nc1ccnc(N2CCOCC2)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.",
"ref_smiles": "FC(F)(F)c1cccc(-c2ccc3ccc(-c3ccnc(N4CCOCC4)c3)nc23)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e0a6b835-7c0f-48e7-98ec-fde8bbbf0cf0",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1ccccc1-c1ccnc(C(O)C[NH3+])n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1-c1ccnc(C(O)C[NH3+])n1.",
"ref_smiles": "Cc1ccccc1-c1ccnc(CC[NH3+])n1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "4a87725e-2955-4920-aad8-a9231eb34942",
"task": "delete",
"question": "Modify the molecule Cc1cc(C)cc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)cc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c1",
"ref_smiles": "Cc1cc(C)cc(OCC(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "064ae8c5-0497-4722-ac29-1d804cf50ddf",
"task": "delete",
"question": "Modify the molecule CCCC1CC1[NH2+]CC(O)(CC)CC by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC1CC1[NH2+]CC(O)(CC)CC",
"ref_smiles": "CCCC1CC1[NH2+]CC(CC)CC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "59eda94f-4dce-42ed-bcad-89f1fd0bfcd3",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Brc1ccc(-c2nnc(C[NH+]3CCC(C4OCCO4)CC3)o2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Brc1ccc(-c2nnc(C[NH+]3CCC(C4OCCO4)CC3)o2)cc1.",
"ref_smiles": "Brc1nnc(C[NH+]2CCC(C3OCCO3)CC2)o1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a75ee632-4f70-4e03-b283-e7e2f061a829",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(C(=O)Nc2cc(C=CC(=O)[O-])ccc2C)o1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)Nc2cc(C=CC(=O)[O-])ccc2C)o1.",
"ref_smiles": "CC(=CC(=O)[O-])NC(=O)c1ccc(C)o1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2c5eaf31-4266-44ee-966e-957bc162f7e9",
"task": "delete",
"question": "Please remove a amide from the molecule CC[NH+](CCC[NH+](C)C)CC(=O)NC(C(C)=O)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+](CCC[NH+](C)C)CC(=O)NC(C(C)=O)C(C)C.",
"ref_smiles": "CC[NH+](CCC[NH+](C)C)C(C(C)=O)C(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "032999a7-61e0-4378-96ee-73ebfd71527f",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc2sc(N3CC[NH+](CCNC(C)=O)CC3)nc2c1OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc2sc(N3CC[NH+](CCNC(C)=O)CC3)nc2c1OC.",
"ref_smiles": "CC[NH+]1CCN(c2nc3c(OC)c(OC)ccc3s2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "484564f9-2479-42b1-8616-205bf6994bcb",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.",
"ref_smiles": "COc1ccc(C(=O)COc2cc(Cl)ccc(Cl)c2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cb8de474-1f95-412b-84be-e25e64f60d73",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH+]=C(NCc1ccc(OC)cc1OC)NCC1CCN(c2ccccc2OC)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]=C(NCc1ccc(OC)cc1OC)NCC1CCN(c2ccccc2OC)C1.",
"ref_smiles": "C[NH+]=C(NCC1CCN(c2ccccc2OC)C1)NC(OC)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d37155e2-40ac-4cd1-8654-bc0e3f2e9415",
"task": "delete",
"question": "Modify the molecule Cc1[nH]nc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)c1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1[nH]nc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)c1Cl",
"ref_smiles": "Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)n[nH]1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3e16dbf9-a7ac-4645-889c-83db1c064c47",
"task": "delete",
"question": "Modify the molecule Cc1sc2ncn(CCC(=O)N(C)C3CC[NH2+]C3)c(=O)c2c1C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1sc2ncn(CCC(=O)N(C)C3CC[NH2+]C3)c(=O)c2c1C",
"ref_smiles": "Cc1sc2ncn(CC3(C)CC[NH2+]C3)c(=O)c2c1C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "47ad2942-a2af-4d7e-bb65-c338ec118adf",
"task": "delete",
"question": "Please remove a halo from the molecule O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1F.",
"ref_smiles": "O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "be00909b-2514-4323-82a4-dce32ff44269",
"task": "delete",
"question": "Please remove a amide from the molecule CN(C)C(=O)NCCNC(=O)COC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)NCCNC(=O)COC(C)(C)C.",
"ref_smiles": "CN(C)C(=O)NCCOC(C)(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "9d75f5c9-10e0-40dd-b187-3866b478907b",
"task": "delete",
"question": "Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC1C1CCCC1O by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC1C1CCCC1O",
"ref_smiles": "Cc1cc(=O)[nH]c(C)c1CCC(=O)N1CCOCC1C1CCCC1O",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "c500f641-3c8e-41fb-84fd-e0d7559a6cb1",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc2cc(-c3ccnc(NC4CC[NH+](Cc5ccccc5)CC4)n3)cc(NC(=O)[O-])c2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc2cc(-c3ccnc(NC4CC[NH+](Cc5ccccc5)CC4)n3)cc(NC(=O)[O-])c2c1.",
"ref_smiles": "COc1ccc2cc(-c3ccnc(NC4CC[NH+](C)CC4)n3)cc(NC(=O)[O-])c2c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7600e431-10ed-4b89-a48c-523fb712344f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O.",
"ref_smiles": "CCOC(=C[P+](c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "12abd738-f1ba-4be9-a5ad-7c7d2e7321b4",
"task": "delete",
"question": "Modify the molecule Cc1cc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)no1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)no1",
"ref_smiles": "Cc1cc(CCCC(=O)c2ccc3c(c2)OCCO3)no1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a581f1da-b1d6-4eaa-9613-d96734fbb5ed",
"task": "delete",
"question": "Modify the molecule CCC1CS(=O)CC(c2ccc(F)cc2)N1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CS(=O)CC(c2ccc(F)cc2)N1",
"ref_smiles": "CCC1CS(=O)CC(F)N1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b8fcc857-786e-4b51-85a5-8241fa631a7c",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCOC2CCCCC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCOC2CCCCC2)c1.",
"ref_smiles": "Cc1ccc(C)c(S(=O)(=O)CCC(=O)NCCCOC2CCCCC2)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6d05ea45-fdb3-4bff-9a8a-d8a05b046d3c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(-c6ccc(CCCC)cc6)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(-c6ccc(CCCC)cc6)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.",
"ref_smiles": "CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(CCCC)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "87c573a1-b85f-45b6-b567-18fa18a1838b",
"task": "delete",
"question": "Modify the molecule O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)c(F)cc1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)c(F)cc1F",
"ref_smiles": "O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)ccc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e677f569-e8d4-4d6d-a5e0-9f4a3e7ad6dd",
"task": "delete",
"question": "Please remove a halo from the molecule Nc1nc(=O)n(C2OC(CO)(CF)C(O)C2F)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1nc(=O)n(C2OC(CO)(CF)C(O)C2F)cc1F.",
"ref_smiles": "Nc1ccn(C2OC(CO)(CF)C(O)C2F)c(=O)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "fd781c5b-cf9a-42b2-9427-7034068db05b",
"task": "delete",
"question": "Modify the molecule CCCC[Si](C)(C)CNC(=O)CCS by removing a thiol.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC[Si](C)(C)CNC(=O)CCS",
"ref_smiles": "CCCC[Si](C)(C)CNC(=O)CC",
"add_group": null,
"remove_group": "thiol"
},
{
"id": "45192fbe-5a55-4509-9687-b0a2f1d84632",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1nc(-c2ccc(F)c(C)c2)c(Br)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(-c2ccc(F)c(C)c2)c(Br)s1.",
"ref_smiles": "Cc1nc(-c2cccc(C)c2)cs1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8b5beeed-662b-4803-a3e4-47b3b6baa557",
"task": "delete",
"question": "Modify the molecule COCCc1onc(N)c1-c1cccc(C(F)(F)F)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCc1onc(N)c1-c1cccc(C(F)(F)F)c1",
"ref_smiles": "COCCc1onc(N)c1-c1cccc(C(F)F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0542f7e3-7de4-45ea-af49-8914af00e809",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C.",
"ref_smiles": "CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2CC(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bb3cdc33-9983-444b-8920-bc78d1adb902",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)(F)F)cc1S2.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)(F)F)cc1S2.",
"ref_smiles": "Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)F)cc1S2.",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b0b40daa-d447-45e5-85f0-beb559622652",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2.",
"ref_smiles": "O=C(Cc1cc(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3ffe94b0-dc82-4c36-899d-d14bb1d03b8b",
"task": "delete",
"question": "Modify the molecule CS(=O)(=O)N1C=C(c2ccccc2)C2C(=O)C(=O)C(C(=O)[O-])=CC21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CS(=O)(=O)N1C=C(c2ccccc2)C2C(=O)C(=O)C(C(=O)[O-])=CC21",
"ref_smiles": "CS(=O)(=O)N1C=CC2C(=O)C(=O)C(C(=O)[O-])=CC21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ba59417b-9d7f-4df8-96c2-9a9445ba9c91",
"task": "delete",
"question": "Modify the molecule COc1ccc(NC(CO)CO)cc1OC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(NC(CO)CO)cc1OC",
"ref_smiles": "COc1ccc(C(CO)CO)cc1OC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "fc1e0297-b82a-4de1-97e5-396f304a314e",
"task": "delete",
"question": "Please remove a amide from the molecule CC(=O)N1CCc2cc(NC(=O)c3cc(-c4cccnc4)nc4c3cnn4Cc3ccco3)ccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1CCc2cc(NC(=O)c3cc(-c4cccnc4)nc4c3cnn4Cc3ccco3)ccc21.",
"ref_smiles": "O=C(Nc1ccc2c(c1)CC2)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "808c073d-87ec-4444-ae48-724c9b87c665",
"task": "delete",
"question": "Modify the molecule CC=C(C)C1OC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC=C(C)C1OC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C",
"ref_smiles": "CC=C(C)C1OC(=O)C(C)N(C(C)CC)C(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2eaae0dd-e008-4c78-822f-f846521b4e9f",
"task": "delete",
"question": "Modify the molecule COc1ccc2c(c1)c1c(n2CO)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc2c(c1)c1c(n2CO)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1",
"ref_smiles": "COc1ccc2c(c1)c1c(n2C)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "93431b1d-cc2d-4ef0-9e66-d7d7fba12603",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1.",
"ref_smiles": "CCNC(=O)C1(Cc2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6ac495c0-1c2d-45ba-a762-288871c125cd",
"task": "delete",
"question": "Modify the molecule Cn1ccnc1S(=O)(=O)Nc1scnc1C(=O)[O-] by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1ccnc1S(=O)(=O)Nc1scnc1C(=O)[O-]",
"ref_smiles": "Cn1ccnc1S(=O)(=O)c1scnc1C(=O)[O-]",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e05f0ed9-7ed1-42de-a4d8-db2076ff1c1c",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCn1nccc1C(O)Cc1ccnc(N)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1nccc1C(O)Cc1ccnc(N)c1.",
"ref_smiles": "CCn1nccc1CCc1ccnc(N)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b118a6f4-2df5-4ea0-af01-42ec0a6bf344",
"task": "delete",
"question": "Please remove a amide from the molecule Cn1cc(-c2[nH]ncc2C(=O)NC2CCC3(CCCCC3)CC2)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1cc(-c2[nH]ncc2C(=O)NC2CCC3(CCCCC3)CC2)cn1.",
"ref_smiles": "Cn1cc(-c2(C3CCC4(CCCCC4)CC3)[nH]nc-2)cn1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "10503a6e-bee7-49b5-8401-4747df8334e4",
"task": "delete",
"question": "Please remove a halo from the molecule CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.",
"ref_smiles": "CCCCN1CN(Cc2ccc3ccccc3c2)C=C1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "69079412-2bb3-4781-a7d5-11472d71bc4f",
"task": "delete",
"question": "Please remove a halo from the molecule COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl.",
"ref_smiles": "COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c2f3dbad-68b5-44d5-ae10-6b52eb4b670c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)C=Cc1ccc(-c2nc(-c3ccc4oc5c(C(=O)OC)cccc5c4c3)cs2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C=Cc1ccc(-c2nc(-c3ccc4oc5c(C(=O)OC)cccc5c4c3)cs2)cc1.",
"ref_smiles": "COC(=O)C=Cc1nc(-c2ccc3oc4c(C(=O)OC)cccc4c3c2)cs1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ba711711-ac82-4a72-a04e-5b8c53a268d2",
"task": "delete",
"question": "Please remove a amine from the molecule CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)NCCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)NCCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S.",
"ref_smiles": "CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)CCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S",
"add_group": null,
"remove_group": "amine"
},
{
"id": "8f2d1647-7b53-4059-8788-641e1ee12d43",
"task": "delete",
"question": "Modify the molecule CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2C2CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC2=O)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2C2CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC2=O)cc1",
"ref_smiles": "CCCCCCCCCCCCCCCCCOc1ccccc1C1CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9a392557-11a8-480c-ba5c-2604cb688b53",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)C(Cc1ccccc1)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(Cc1ccccc1)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21.",
"ref_smiles": "COC(=O)C(C)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "61104df8-0333-4a3b-81e5-6b453390c01d",
"task": "delete",
"question": "Modify the molecule Cc1ccc2[nH+]c(C(F)(F)F)cc(N3CCCC[NH2+]CCC3)c2c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2[nH+]c(C(F)(F)F)cc(N3CCCC[NH2+]CCC3)c2c1",
"ref_smiles": "Cc1ccc2[nH+]c(C(F)F)cc(N3CCCC[NH2+]CCC3)c2c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "51a24552-7365-4acf-ac0b-d3c422a04984",
"task": "delete",
"question": "Modify the molecule O=C(c1csc(I)c1)N(CCO)C1CCCC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1csc(I)c1)N(CCO)C1CCCC1",
"ref_smiles": "CCN(C(=O)c1csc(I)c1)C1CCCC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6c17d792-60e3-49b8-a57e-53505a417b9f",
"task": "delete",
"question": "Please remove a amine from the molecule c1cc(C[NH2+]C2NNNN2)c[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1cc(C[NH2+]C2NNNN2)c[nH]1.",
"ref_smiles": "c1cc(C[NH2+]C2NNN2)c[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "72c871da-af22-4446-bff1-92631cf224c4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.",
"ref_smiles": "CC(NC(=O)C1CC[NH+](CC(=O)N(C)C(=O)NC2CCCCC2C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1cf6d71a-1b38-4fd7-8597-01034275b34b",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc(NC(=O)C(C)(C)CO)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(NC(=O)C(C)(C)CO)cc1.",
"ref_smiles": "CCC(O)c1ccc(OC)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "be8764d0-6da6-40cd-a9ee-ee358a00792f",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1csc(CCCCNC(=O)C2(O)CCCC2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1csc(CCCCNC(=O)C2(O)CCCC2)n1.",
"ref_smiles": "Cc1csc(CCCCC2CCCO2)n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d52fe71f-33a0-45ce-a52b-34b1bc295003",
"task": "delete",
"question": "Modify the molecule O=CNc1cc(Cl)cc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=CNc1cc(Cl)cc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O",
"ref_smiles": "O=CNc1cccc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ca058ff0-7a8e-495d-8dbf-4e6c87cfc47c",
"task": "delete",
"question": "Modify the molecule Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O",
"ref_smiles": "Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccccc3)o2)C1=O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "492cf29f-623d-45ed-9739-c9ad7cd31bb6",
"task": "delete",
"question": "Please remove a halo from the molecule O=C1CC(=O)N(c2cc(Br)ccc2Br)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CC(=O)N(c2cc(Br)ccc2Br)C1.",
"ref_smiles": "O=C1CC(=O)N(c2ccccc2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6ef36ddc-fc72-462b-989c-bff7a7542052",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1OCCC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1OCCC.",
"ref_smiles": "CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)NC(F)(F)F)C1OCCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4df56105-3447-4582-9aad-a6a24d0eca0e",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C.",
"ref_smiles": "Cc1c(C[NH+]2CCN(c3ccccc3)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "462644e9-d873-4c80-9d0e-ca98991682cc",
"task": "delete",
"question": "Modify the molecule CC(C(N)=O)c1cn(CCC(F)(F)F)c(=S)[nH]1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C(N)=O)c1cn(CCC(F)(F)F)c(=S)[nH]1",
"ref_smiles": "Cc1cn(CCC(F)(F)F)c(=S)[nH]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d037399b-2b6c-4ac9-a2ba-bb86c19b5db8",
"task": "delete",
"question": "Modify the molecule COC(=O)CCC[NH+](CCCNC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)CCC[NH+](CCCNC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21",
"ref_smiles": "COC(=O)CCC[NH+](CCCC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "11fe6b3b-aa66-437b-9575-c7c9c71118f6",
"task": "delete",
"question": "Modify the molecule COC(CC1CCCC1O)C(F)(F)F by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(CC1CCCC1O)C(F)(F)F",
"ref_smiles": "COC(CC1CCCC1)C(F)(F)F",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6e829f07-f716-45be-a167-a9ee06e5d1f0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1.",
"ref_smiles": "C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)N1CCOCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b1505796-1ae8-433e-b79b-f12de309fad0",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1.",
"ref_smiles": "CCCCCN1C(=O)C=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "87ab35a9-37b6-41ee-b98c-8c8bb57c7bae",
"task": "delete",
"question": "Modify the molecule CSCC(C)(O)CNC(=O)c1cn(CC[NH3+])cn1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSCC(C)(O)CNC(=O)c1cn(CC[NH3+])cn1",
"ref_smiles": "CSCC(C)CNC(=O)c1cn(CC[NH3+])cn1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "9c84aea2-da34-4c3a-a54c-ad762528dda1",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1",
"ref_smiles": "CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(C)c5ccc2[nH]5)C=C4)C=C3)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "badef609-e117-4dff-9d63-f6410f0aa362",
"task": "delete",
"question": "Modify the molecule CC[NH+](CC)CCOc1ccc(C(N)=S)c(Cl)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+](CC)CCOc1ccc(C(N)=S)c(Cl)c1",
"ref_smiles": "CC[NH+](CC)CCOc1ccc(C(N)=S)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2571df45-d759-4154-b200-ac3ffe411bce",
"task": "delete",
"question": "Please remove a amide from the molecule CN1CC(NC(=O)NCC2CCC(C)(C)c3ccccc32)CCC1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN1CC(NC(=O)NCC2CCC(C)(C)c3ccccc32)CCC1=O.",
"ref_smiles": "CC1CC1NC(=O)NCC1CCC(C)(C)c2ccccc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "0607afe9-d63a-4872-827b-e38bca51564d",
"task": "delete",
"question": "Please remove a amide from the molecule CN(CC(=O)NC1(c2ccccc2)CC1)C(=O)OC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(CC(=O)NC1(c2ccccc2)CC1)C(=O)OC(C)(C)C.",
"ref_smiles": "CN(C(=O)OC(C)(C)C)C1(c2ccccc2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "411abaa3-3686-403f-96f3-0c1a0ccedfad",
"task": "delete",
"question": "Modify the molecule Cc1cc(NC(=O)c2cc(Br)ccc2O)ncc1N by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(NC(=O)c2cc(Br)ccc2O)ncc1N",
"ref_smiles": "Cc1cc(NC(=O)c2cccc(Br)c2)ncc1N",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "8bcca5d6-daa8-440e-b3ee-d975298296b7",
"task": "delete",
"question": "Please remove a nitrile from the molecule CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.",
"ref_smiles": "CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)cc5)s4)cccc32)C1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "c3ff0a17-3cf5-47cb-b997-cdd2e4ccafb0",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc(Nc2cc(C)nc(N)n2)c(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(Nc2cc(C)nc(N)n2)c(F)c1.",
"ref_smiles": "Cc1ccc(c2cc(C)nc(N)n2)c(F)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b3a5c41b-1f04-4ad9-95e5-78e12fb915a6",
"task": "delete",
"question": "Modify the molecule CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1F",
"ref_smiles": "CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2a8a61ad-d622-4814-b334-090998fd3798",
"task": "delete",
"question": "Modify the molecule CC(C)(C)c1c[nH+]c(COCc2ccccc2)[nH]1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)c1c[nH+]c(COCc2ccccc2)[nH]1",
"ref_smiles": "COCc1[nH]c(C(C)(C)C)c[nH+]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1dbd2466-8a56-49e7-9b40-0a3a43c5e43d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1.",
"ref_smiles": "COc1ccc(-c2cc(C[NH+]3CCN([N+](=O)[O-])CC3)on2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1292a5b7-f43e-4f3d-a2cf-3d4e19a05d02",
"task": "delete",
"question": "Modify the molecule CC([NH2+]CCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC([NH2+]CCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1",
"ref_smiles": "CC([NH2+]CCNC(=O)N(C)C)c1ccc([SH](=O)=O)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "ed5b3c52-df2c-4156-af72-69c82a46f4e6",
"task": "delete",
"question": "Please remove a amine from the molecule Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cn3)C(CC3CCOCC3)C2)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cn3)C(CC3CCOCC3)C2)s1.",
"ref_smiles": "O=S(=O)(c1cccs1)N1CCN(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)C(CC2CCOCC2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "97120a6d-96b3-4604-af92-903d7a96aa4c",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1N by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1N",
"ref_smiles": "CCOC(=O)c1coc(-c2cccc(C)c2Cl)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0838b192-2d8d-4f55-87df-a7ddde10ab14",
"task": "delete",
"question": "Please remove a amide from the molecule CCc1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1.",
"ref_smiles": "CCc1ccc(S(=O)(=O)NCc2ccco2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cb9daa24-73f6-468c-9f07-2e429d410e51",
"task": "delete",
"question": "Modify the molecule O=C(Cc1ccc(F)cc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Cc1ccc(F)cc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1",
"ref_smiles": "O=C(Cc1ccccc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "611efe9b-383b-4877-8a31-0c4abe05bbaa",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cccc(=O)n1Cc1ccccc1B(O)O.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(=O)n1Cc1ccccc1B(O)O.",
"ref_smiles": "Cc1cccc(=O)n1Cc1ccccc1BO",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "c9d3e4e9-1399-42df-8309-82566242df0a",
"task": "delete",
"question": "Please remove a amide from the molecule COC(=O)NC(CC[NH+]1CCC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)C2=O)CC1)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)NC(CC[NH+]1CCC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)C2=O)CC1)c1ccccc1.",
"ref_smiles": "COC(=O)NC(CC[NH+]1CCCCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1fafee10-89b1-4642-94e0-8249d50abdd2",
"task": "delete",
"question": "Modify the molecule COc1cccc(CNC(=O)Cn2cnc(-c3ccccc3OC)cc2=O)c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(CNC(=O)Cn2cnc(-c3ccccc3OC)cc2=O)c1",
"ref_smiles": "COc1cccc(Cn2cnc(-c3ccccc3OC)cc2=O)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "dc8de655-a350-485c-91d5-f94ec399e956",
"task": "delete",
"question": "Modify the molecule COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc12 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc12",
"ref_smiles": "COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=COCl)cc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "758da41d-d7ae-4c5d-a223-04ef3a5a3265",
"task": "delete",
"question": "Modify the molecule O=C(NCC1CCCCC1c1ccccc1)NC1CCC2C[NH2+]CC2C1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCC1CCCCC1c1ccccc1)NC1CCC2C[NH2+]CC2C1",
"ref_smiles": "O=C(NCC1CCCCC1)NC1CCC2C[NH2+]CC2C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fbb9109e-f5b4-4fee-9a77-6b23538f87e8",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCOc1ccc2scc(O)c2c1[S-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc2scc(O)c2c1[S-].",
"ref_smiles": "CCOc1ccc2sccc2c1[S-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "ba509a29-be04-4f4d-9bc7-36f809a212fb",
"task": "delete",
"question": "Modify the molecule Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1",
"ref_smiles": "Cc1ccc(Cl)cc1NC(=O)COC(=O)Br",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d83f2c96-5c23-4076-b7d5-74f9743b2847",
"task": "delete",
"question": "Please remove a amide from the molecule CCCN(CC(=O)N(C)C)S(=O)(=O)C1CCCC1C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN(CC(=O)N(C)C)S(=O)(=O)C1CCCC1C(=O)[O-].",
"ref_smiles": "CCCN(CC)S(=O)(=O)C1CCCC1C(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "fc6776de-2db4-46ac-9b1f-498f87f5eb1b",
"task": "delete",
"question": "Modify the molecule O=CN(O)CCNC(=O)c1ccsc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=CN(O)CCNC(=O)c1ccsc1",
"ref_smiles": "O=CNCCNC(=O)c1ccsc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "06223ff0-98ea-4b86-98bc-eb21e28d24e4",
"task": "delete",
"question": "Please remove a amine from the molecule COc1cccnc1NC(=S)NCCC[NH+]1CCCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccnc1NC(=S)NCCC[NH+]1CCCCC1.",
"ref_smiles": "COc1cccnc1NC(=S)CCC[NH+]1CCCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "388d4ed0-39a6-4b53-9327-0d0b264ce398",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CN(C(=O)C[NH+]1CCCCC1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccc(N(C)S(=O)(=O)c4ccccc4)cc23)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C(=O)C[NH+]1CCCCC1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccc(N(C)S(=O)(=O)c4ccccc4)cc23)cc1.",
"ref_smiles": "CN(N=C(c1ccccc1)c1c(O)[nH]c2ccc(N(C)S(=O)(=O)c3ccccc3)cc12)C(=O)C[NH+]1CCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f3c6adfb-f1c3-4264-a093-e593504b63de",
"task": "delete",
"question": "Modify the molecule Cc1cc(N(C)CCc2ccccc2)[n+](OS(=O)(=O)O)c(N)n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(N(C)CCc2ccccc2)[n+](OS(=O)(=O)O)c(N)n1",
"ref_smiles": "CCN(C)c1cc(C)nc(N)[n+]1OS(=O)(=O)O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e7d070c0-75ad-4dcf-b0c2-18652eb571ca",
"task": "delete",
"question": "Please remove a amine from the molecule COCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC[NH2+]CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC[NH2+]CC1.",
"ref_smiles": "COCC1(C(=O)N2CCN([SH](=O)=O)CC2)CC[NH2+]CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0802044f-e027-4297-9c23-56f6e506838f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(NC(=O)CCc2ccccc2C)c(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)CCc2ccccc2C)c(Br)c1.",
"ref_smiles": "CCCC(=O)Nc1ccc(C)cc1Br",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d1cfe466-0c23-4c22-8979-ecb13b94279c",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1nc(C2CCCOC2)sc1C(=O)N(C)Cc1nccs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(C2CCCOC2)sc1C(=O)N(C)Cc1nccs1.",
"ref_smiles": "Cc1sc(C2CCCOC2)nc1(C)Cc1nccs1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d606de40-6024-41f1-ad92-124b97d9fe09",
"task": "delete",
"question": "Modify the molecule [NH3+]C(CNc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cn1ccc(C(F)(F)F)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C(CNc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cn1ccc(C(F)(F)F)n1",
"ref_smiles": "[NH3+]C(CNc1ncc(-c2ccc3cnccc3c2)s1)Cn1ccc(C(F)(F)F)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d8de8d0d-9fa5-44ab-9b6b-5d0edbb65fd2",
"task": "delete",
"question": "Modify the molecule O=C(Cc1cccc2ccccc12)NCC1CCCC1O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Cc1cccc2ccccc12)NCC1CCCC1O",
"ref_smiles": "OC1CCCC1Cc1cccc2ccccc12",
"add_group": null,
"remove_group": "amide"
},
{
"id": "dd34ad6a-75e3-4746-abd5-47fe877bdd17",
"task": "delete",
"question": "Modify the molecule O=c1cc(C2CC(Nc3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=c1cc(C2CC(Nc3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1",
"ref_smiles": "O=c1cc(C2CC(c3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "44ac78a3-2275-4a5f-84d4-dc2a3bd62506",
"task": "delete",
"question": "Modify the molecule Nc1ccc(C(=O)Cn2c(-c3nonc3NCC[NH3+])nc3ccccc32)cn1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc(C(=O)Cn2c(-c3nonc3NCC[NH3+])nc3ccccc32)cn1",
"ref_smiles": "Nc1ccc(C(=O)Cn2c(-c3nonc3CC[NH3+])nc3ccccc32)cn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "fafce5a5-b707-4452-ae8b-1f606e30601b",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccccc1CC(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1CC(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1.",
"ref_smiles": "COc1ccccc1C1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d142cab3-dc05-496c-b564-f958fade06ca",
"task": "delete",
"question": "Please remove a halo from the molecule Clc1ccc(SSc2c(Cl)c(Br)c(Cl)c(Br)c2Cl)c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Clc1ccc(SSc2c(Cl)c(Br)c(Cl)c(Br)c2Cl)c(Cl)c1.",
"ref_smiles": "Clc1ccc(SSc2cc(Br)c(Cl)c(Br)c2Cl)c(Cl)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7a1fb40a-91b3-45cf-9f80-47e22b6097ed",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)(F)c1ccccc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)(F)c1ccccc1",
"ref_smiles": "CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d1984758-7e63-4da9-bba2-92753648c7e7",
"task": "delete",
"question": "Please remove a amine from the molecule CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3OC)ncc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3OC)ncc21.",
"ref_smiles": "CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(-c3ccc(C(N)=O)cc3OC)ncc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "3d919e3b-d833-46f1-86b3-a97f1ce1a494",
"task": "delete",
"question": "Modify the molecule COc1ccc(COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1",
"ref_smiles": "COCOC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8898d86e-487f-4d29-99a5-6c924a07a103",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1.",
"ref_smiles": "Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C3CCCC2=O)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "463983c9-d8fe-41b1-ba7e-cae276b5d2db",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1.",
"ref_smiles": "c1cncc(Cc2nc3ccc4ccccc4c3s2)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b6b4a25c-b46c-4820-baa6-d5965cd0c725",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1cc(C(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.",
"ref_smiles": "Cc1cc(C(C)C)c(-c1F)NS(=O)(=O)c1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d3b5ffba-5cdf-4eb9-8822-121772279dbb",
"task": "delete",
"question": "Modify the molecule Cc1cccc(C)c1-c1ccc(OC(C)C(=O)[O-])cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C)c1-c1ccc(OC(C)C(=O)[O-])cc1",
"ref_smiles": "Cc1cccc(C)c1OC(C)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "da496925-4350-4ba2-b5bb-b258e4b73352",
"task": "delete",
"question": "Modify the molecule COc1ccc(O)c2ccc(=O)[nH]c12 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(O)c2ccc(=O)[nH]c12",
"ref_smiles": "COc1cccc2ccc(=O)[nH]c12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b9938c9b-5221-4ef8-934c-1354aaca538e",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC1(C)CCC[NH+](C2CC(C)(C)Oc3cc(O)ccc32)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCC[NH+](C2CC(C)(C)Oc3cc(O)ccc32)C1.",
"ref_smiles": "CC1(C)CCC[NH+](C2CC(C)(C)Oc3ccccc32)C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "2e03533e-e965-4c43-b659-b7e779013641",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule C[NH+]1CCC23CCCCC2C1Cc1ccc(-c2nnc(C(C)(C)O)s2)cc13.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1CCC23CCCCC2C1Cc1ccc(-c2nnc(C(C)(C)O)s2)cc13.",
"ref_smiles": "CC(C)c1nnc(-c2ccc3c(c2)C24CCCCC2C(C3)[NH+](C)CC4)s1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "d6fde0b5-2cd0-438a-bd91-8928fbf06289",
"task": "delete",
"question": "Please remove a nitrile from the molecule COC(=O)C1(CC#N)CCN(C(=O)[O-])CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C1(CC#N)CCN(C(=O)[O-])CC1.",
"ref_smiles": "COC(=O)C1(C)CCN(C(=O)[O-])CC1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "f89e4482-85c8-49f0-85c4-84ab174eb443",
"task": "delete",
"question": "Please remove a benzene ring from the molecule NC(=O)c1[nH]nc(-c2ccccc2)c1Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)c1[nH]nc(-c2ccccc2)c1Br.",
"ref_smiles": "NC(=O)c1[nH]ncc1Br",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "38c6188e-f3e4-4392-b2d1-cd6bdbd09954",
"task": "delete",
"question": "Modify the molecule CCOc1cc(CO)cc(Br)c1OCCOCC(F)(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1cc(CO)cc(Br)c1OCCOCC(F)(F)F",
"ref_smiles": "CCOc1cc(CO)ccc1OCCOCC(F)(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8182da45-4bf2-4540-8a8b-f9d6c629dcc5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C=CCN(c1ccc(F)cc1C(C)[NH2+]CC)C(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCN(c1ccc(F)cc1C(C)[NH2+]CC)C(C)(C)C.",
"ref_smiles": "C=CCN(C(C)(C)C)C(C)(F)[NH2+]CC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "126cf91e-6c26-4a07-93e6-5c812224a9dd",
"task": "delete",
"question": "Modify the molecule NC(=[NH+]O)c1nccnc1Sc1nc2ccccc2o1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=[NH+]O)c1nccnc1Sc1nc2ccccc2o1",
"ref_smiles": "[NH+]=C(N)c1nccnc1Sc1nc2ccccc2o1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b9476079-7518-4cbe-8007-900657e102c7",
"task": "delete",
"question": "Modify the molecule Cc1ccc(NC(=O)c2cnccc2Cl)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)c2cnccc2Cl)cc1",
"ref_smiles": "Cc1ccc(NC(=O)c2cccnc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "fce2c0a5-00d1-4d39-a770-a2a32caaab24",
"task": "delete",
"question": "Please remove a benzene ring from the molecule N#Cc1ccncc1OCCCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1ccncc1OCCCc1ccccc1.",
"ref_smiles": "CCCOc1cnccc1C#N",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "64a1f6fa-370b-40f5-8a8e-f48bbb1daf82",
"task": "delete",
"question": "Modify the molecule CC(Sc1ccccc1C(=O)NC1CCC1)C(=O)[O-] by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(Sc1ccccc1C(=O)NC1CCC1)C(=O)[O-]",
"ref_smiles": "CC(SC(=O)NC1CCC1)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7cf42a94-bf5a-44df-b409-d281eee3053a",
"task": "delete",
"question": "Modify the molecule C[NH+]1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1",
"ref_smiles": "C[NH+]1CCC2C[NH+](C3CCCCC3)CCC2C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "fba12395-de85-460f-8bf5-76b350679571",
"task": "delete",
"question": "Please remove a halo from the molecule O=C([O-])C1CC1C(=O)NCCCC(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C1CC1C(=O)NCCCC(F)(F)F.",
"ref_smiles": "O=C([O-])C1CC1C(=O)NCCCC(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "def21d5f-b7fd-4e0b-a81a-ad05497d72fd",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCC[NH+]=C1NC2C(CC(CO)C(C=O)C2C=O)S1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH+]=C1NC2C(CC(CO)C(C=O)C2C=O)S1.",
"ref_smiles": "CCC[NH+]=C1NC2C(CC(C)C(C=O)C2C=O)S1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5269099b-7e30-4010-8cd5-f59131d78bad",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Oc1ccc(Br)cc1C=Nn1c(COc2ccccc2)n[nH]c1=S.\nPlease wrap the final SMILES in ....",
"src_smiles": "Oc1ccc(Br)cc1C=Nn1c(COc2ccccc2)n[nH]c1=S.",
"ref_smiles": "S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccc(Br)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "68f8f0f4-b12e-4796-bf73-5e8caa913146",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C2CC2B2OC(C)(C)C(C)(C)O2)cc1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C2CC2B2OC(C)(C)C(C)(C)O2)cc1F",
"ref_smiles": "Cc1ccc(C2CC2B2OC(C)(C)C(C)(C)O2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0d13ab74-1f8e-4f18-b253-59536f2c485c",
"task": "delete",
"question": "Please remove a amine from the molecule CC1(CNc2nc3ccc(N)cc3s2)CCCS1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(CNc2nc3ccc(N)cc3s2)CCCS1.",
"ref_smiles": "CC1(Cc2nc3ccc(N)cc3s2)CCCS1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "8f5fdbe7-6b43-45d8-b32c-790ae1e8d089",
"task": "delete",
"question": "Modify the molecule NC(=O)CCSC(=S)N1CCOCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)CCSC(=S)N1CCOCC1",
"ref_smiles": "CSC(=S)N1CCOCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cdf9887c-7f0f-4ba1-8179-5ba2ba09ff31",
"task": "delete",
"question": "Please remove a halo from the molecule OCC[NH+]1CCN(c2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "OCC[NH+]1CCN(c2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)CC1.",
"ref_smiles": "OCC[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3cccnc3)n2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f0b1bf72-20f2-49ff-ae66-2ee10fe6360f",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1cc(C)c(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c(C)c1.",
"ref_smiles": "Cc1cc(C)c(Cc2nc(-c3cccc4ccccc34)no2)c(C)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d7500d0c-bccd-4ead-b9ef-396a2dccc242",
"task": "delete",
"question": "Modify the molecule C=CC(=O)C1=CCCc2ccc(Br)cc21 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC(=O)C1=CCCc2ccc(Br)cc21",
"ref_smiles": "C=CC(=O)C1=CCCc2ccccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "16197c4f-151b-4a30-bfba-160e72cff2b0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C)cc(COC(=O)NNC(=O)Cc2ccccc2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)cc(COC(=O)NNC(=O)Cc2ccccc2)c1.",
"ref_smiles": "CCCOC(=O)NNC(=O)Cc1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a4377dd8-3f43-4ef1-b534-549c1a209871",
"task": "delete",
"question": "Modify the molecule O=CC1CCc2nnn(N3CC4(CCN(C(=O)OCc5ccc(OCC(F)(F)F)c(F)c5)CC4)C3)c2C1 by removing a aldehyde.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=CC1CCc2nnn(N3CC4(CCN(C(=O)OCc5ccc(OCC(F)(F)F)c(F)c5)CC4)C3)c2C1",
"ref_smiles": "O=C(OCc1ccc(OCC(F)(F)F)c(F)c1)N1CCC2(CC1)CN(n1nnc3c1CCC3)C2",
"add_group": null,
"remove_group": "aldehyde"
},
{
"id": "c53bf407-54fe-4f51-9715-1b13c6986b67",
"task": "delete",
"question": "Modify the molecule Cc1ccc(N=Cc2c(O)[nH]c3ccc(F)cc23)cc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(N=Cc2c(O)[nH]c3ccc(F)cc23)cc1Cl",
"ref_smiles": "Cc1ccc(N=Cc2c(O)[nH]c3ccc(F)cc23)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "419a4aea-b4d1-4d58-a823-d01094d712af",
"task": "delete",
"question": "Please remove a halo from the molecule Nc1cccc(C2CC2(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)C(=O)[O-])c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1cccc(C2CC2(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)C(=O)[O-])c1.",
"ref_smiles": "Nc1cccc(C2CC2(NS(=O)(=O)c2ccc(-c3cc(C(F)F)on3)s2)C(=O)[O-])c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d58d6b87-3ad4-4548-acee-e54cf0bee4b2",
"task": "delete",
"question": "Please remove a halo from the molecule [NH3+]CCc1c(Cl)cccc1OCOCC1CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]CCc1c(Cl)cccc1OCOCC1CC1.",
"ref_smiles": "[NH3+]CCc1ccccc1OCOCC1CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "78c28fbb-8a2d-4dc6-89a2-2d97c8e2f88a",
"task": "delete",
"question": "Please remove a halo from the molecule N#Cc1nc(-c2ccc(F)cc2)[nH]c1C(N)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1nc(-c2ccc(F)cc2)[nH]c1C(N)=O.",
"ref_smiles": "N#Cc1nc(-c2ccccc2)[nH]c1C(N)=O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "464fd6a2-98ce-4354-a82a-45f524bbaca6",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH2+]Cc1ccc(OCCOc2ccccc2C(C)(C)C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]Cc1ccc(OCCOc2ccccc2C(C)(C)C)cc1.",
"ref_smiles": "C[NH2+]COCCOc1ccccc1C(C)(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6aac9ebb-fc19-4bc9-92a1-f96b75534173",
"task": "delete",
"question": "Please remove a amine from the molecule O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])c(C=Nc3ccc(Nc4nc(O)nc(Nc5ccc(N=Nc6ccc7c(S(=O)(=O)[O-])cccc7c6S(=O)(=O)[O-])cc5)n4)cc3)ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])c(C=Nc3ccc(Nc4nc(O)nc(Nc5ccc(N=Nc6ccc7c(S(=O)(=O)[O-])cccc7c6S(=O)(=O)[O-])cc5)n4)cc3)ccc12.",
"ref_smiles": "O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])c(C=Nc3ccc(Nc4nc(O)nc(-c5ccc(N=Nc6ccc7c(S(=O)(=O)[O-])cccc7c6S(=O)(=O)[O-])cc5)n4)cc3)ccc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "ffe6b512-c78f-4c46-b067-d65f4523d198",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)NC(=O)NS(=O)(=O)c1ccc(CSc2[nH+]cc(C(C)(C)c3ccc(F)c(F)c3)n2-c2ccc(F)cc2)c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)NC(=O)NS(=O)(=O)c1ccc(CSc2[nH+]cc(C(C)(C)c3ccc(F)c(F)c3)n2-c2ccc(F)cc2)c(Cl)c1.",
"ref_smiles": "CC(C)NC(=O)NS(=O)(=O)c1ccc(CSc2[nH+]cc(C(C)(C)c3ccc(F)c(F)c3)n2F)c(Cl)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9f197c70-e4bd-426f-a204-2cf040cc6d39",
"task": "delete",
"question": "Modify the molecule CC(C)Oc1cccc(C[NH2+]C(C)(C)C(N)=O)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Oc1cccc(C[NH2+]C(C)(C)C(N)=O)c1",
"ref_smiles": "CC(C)OC[NH2+]C(C)(C)C(N)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "741cb194-50af-4a58-aea2-06364f7f860b",
"task": "delete",
"question": "Modify the molecule CCCCCCCCCCCCNc1nc(NCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCNc2nc(NCCCCCCCCCCCC)nc(N(CCCCCCCC)CCCCCCCC)n2)C6=O)nc(N(CCCCCCCC)CCCCCCCC)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCCCCNc1nc(NCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCNc2nc(NCCCCCCCCCCCC)nc(N(CCCCCCCC)CCCCCCCC)n2)C6=O)nc(N(CCCCCCCC)CCCCCCCC)n1",
"ref_smiles": "CCCCCCCCCCCCNc1nc(NCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCNc2nc(CCCCCCCCCCCC)nc(N(CCCCCCCC)CCCCCCCC)n2)C6=O)nc(N(CCCCCCCC)CCCCCCCC)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b097241c-4a74-4ea4-a49a-426eb910107d",
"task": "delete",
"question": "Please remove a amine from the molecule CC[NH+]=C(N)NC1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+]=C(N)NC1CCCC1.",
"ref_smiles": "CCC(N)NC1CCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6bdb47f2-92a3-4906-8f81-18c1c3640617",
"task": "delete",
"question": "Please remove a amine from the molecule CC(O)CCC(=O)N1C(=O)c2cccc(N)c2C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(O)CCC(=O)N1C(=O)c2cccc(N)c2C1=O.",
"ref_smiles": "CC(O)CCC(=O)N1C(=O)c2ccccc2C1=O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1d1a1e3d-8bff-4438-bf69-0cb0db08f557",
"task": "delete",
"question": "Please remove a amide from the molecule C=CCNC(=O)CCc1sc(C)nc1-c1cccs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCNC(=O)CCc1sc(C)nc1-c1cccs1.",
"ref_smiles": "C=CCCc1sc(C)nc1-c1cccs1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ca11c456-8cba-4b18-9c0f-2bd322c6ad24",
"task": "delete",
"question": "Modify the molecule [NH3+]C1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1",
"ref_smiles": "[NH3+]C1CC2CCC(C1)N2S(=O)(=O)Br",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0b1e23cd-a6dc-4f7c-832c-be059c3542f0",
"task": "delete",
"question": "Modify the molecule [C-]#[N+]C(=Cc1ccc(OC)cc1)C(=O)OCCCCCCCCCC by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "[C-]#[N+]C(=Cc1ccc(OC)cc1)C(=O)OCCCCCCCCCC",
"ref_smiles": "[C-]#[N+]C(=CH)C(=O)OCCCCCCCCCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "adf7b772-280a-4b8a-ac45-536318b923aa",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCOC(=O)P(C(=O)OCC)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOC(=O)P(C(=O)OCC)c1ccccc1.",
"ref_smiles": "CCCCOC(=O)PC(=O)OCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fb39d0d9-5cf3-427e-ad7b-6d330eb6ba0b",
"task": "delete",
"question": "Modify the molecule CCNc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1",
"ref_smiles": "CCc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4755bfaa-aa38-4186-ab78-1fcd282937ad",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COCC(=O)N(CCC(=O)[O-])c1cccc(C(=O)[O-])c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC(=O)N(CCC(=O)[O-])c1cccc(C(=O)[O-])c1.",
"ref_smiles": "COCC(=O)N(CCC(=O)[O-])C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4768a5e3-5fd4-4e02-a767-8fbfabf3e2c8",
"task": "delete",
"question": "Modify the molecule CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1C(=O)c1ccccc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1C(=O)c1ccccc1",
"ref_smiles": "CCC(C(=O)c1ccccc1)C(C)C(=O)NCc1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "32c081ac-f1ae-49be-a5e4-6ba5a6914f93",
"task": "delete",
"question": "Modify the molecule Cc1cccc(NC(=O)c2c(NC(=O)CN3CC[NH2+]CC3)sc3c2CCCC3)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(NC(=O)c2c(NC(=O)CN3CC[NH2+]CC3)sc3c2CCCC3)c1",
"ref_smiles": "CNC(=O)c1c(NC(=O)CN2CC[NH2+]CC2)sc2c1CCCC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ecd1bf31-6282-46a0-8b4e-17984ecbe248",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C(C)c2cccc3ccccc23)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C(C)c2cccc3ccccc23)c1.",
"ref_smiles": "COc1ccccc1NS(=O)(=O)C(=O)NN=C(C)c1cccc2ccccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "557f14c8-5a22-4ca0-851e-d928afbaacfe",
"task": "delete",
"question": "Modify the molecule C[NH2+]C(c1cnn(C)c1)C(C)(C)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(c1cnn(C)c1)C(C)(C)c1ccccc1",
"ref_smiles": "C[NH2+]C(c1cnn(C)c1)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e562bb4d-e01f-4924-9acf-6924735d2bbb",
"task": "delete",
"question": "Modify the molecule C[Si](C)(c1ccccc1)N1Cc2ccccc2-c2ccccc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[Si](C)(c1ccccc1)N1Cc2ccccc2-c2ccccc21",
"ref_smiles": "C[Si](C)N1Cc2ccccc2-c2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b608055b-997b-417e-9d07-07a7688a74be",
"task": "delete",
"question": "Please remove a amine from the molecule COC(=O)NC1CC[NH+](Cc2cccc(N)c2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)NC1CC[NH+](Cc2cccc(N)c2)C1.",
"ref_smiles": "COC(=O)NC1CC[NH+](Cc2ccccc2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "53a58e21-8b51-4b39-b6dd-a3b6fe515f1d",
"task": "delete",
"question": "Modify the molecule CC(C)C[NH2+]Cc1ccc(OCCn2cccn2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C[NH2+]Cc1ccc(OCCn2cccn2)cc1",
"ref_smiles": "CC(C)C[NH2+]COCCn1cccn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "be4f707f-b099-4174-b62c-52829a2362e6",
"task": "delete",
"question": "Modify the molecule CC(=O)c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)cc2)C1=O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)cc2)C1=O",
"ref_smiles": "CC(=O)c1ccccc1N(c1ccc(C)cc1)C(Cl)C=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "8617eb83-9dac-4a01-9128-c0445adf5ba8",
"task": "delete",
"question": "Modify the molecule COCCn1cc(C)sc1=NC(=O)C12CC3CC(CC(O)(C3)C1)C2 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCn1cc(C)sc1=NC(=O)C12CC3CC(CC(O)(C3)C1)C2",
"ref_smiles": "COCCn1cc(C)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6cdb7b10-ce1a-4ce0-b419-8155735dd3f9",
"task": "delete",
"question": "Please remove a amine from the molecule CCOCCCNC(=S)NCCc1nccs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOCCCNC(=S)NCCc1nccs1.",
"ref_smiles": "CCOCCCNC(=S)CCc1nccs1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "da51774e-9d2a-4999-8d57-cc90006d0a39",
"task": "delete",
"question": "Modify the molecule COc1ccc(NC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1OC(F)F by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(NC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1OC(F)F",
"ref_smiles": "COc1ccc(Cc2nc(=O)c3ccccc3[nH]2)cc1OC(F)F",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f3d81d57-2a6e-4730-85a7-74f02caf1c8e",
"task": "delete",
"question": "Please remove a halo from the molecule CC1CC(N(C)c2nc(Br)cs2)C(C)O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC(N(C)c2nc(Br)cs2)C(C)O1.",
"ref_smiles": "CC1CC(N(C)c2nccs2)C(C)O1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d745e41c-fd76-4dac-9fb3-8c6c51ce787d",
"task": "delete",
"question": "Modify the molecule CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC4CCC4)c3)c2Nc2ccccc2)C1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC4CCC4)c3)c2Nc2ccccc2)C1",
"ref_smiles": "CC1(C)CC(=O)c2c([nH]c(-c3ccnc(C4CCC4)c3)c2Nc2ccccc2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "bd890b40-3d5a-41ea-ab36-b103b26ca7a0",
"task": "delete",
"question": "Modify the molecule CCC(=O)CCc1cccc(-c2ccc(O)c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C4(O)C(=O)C2=C3[O-])c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)CCc1cccc(-c2ccc(O)c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C4(O)C(=O)C2=C3[O-])c1",
"ref_smiles": "CCC(=O)CCc1cccc(-c2ccc(O)c3c2CC2CC4C([NH+](C)C)C(=O)C([O-])C4(O)C(=O)C2=C3[O-])c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3c011c94-71e3-43f6-a6ac-96239d64da96",
"task": "delete",
"question": "Modify the molecule O=C(NCc1nn[n-]n1)c1ccc(F)cc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCc1nn[n-]n1)c1ccc(F)cc1Cl",
"ref_smiles": "O=C(NCc1nn[n-]n1)c1ccccc1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f97b8d99-8d0f-416c-95cf-baf36668b009",
"task": "delete",
"question": "Please remove a amine from the molecule CN(Cc1ccco1)c1cc(C(=O)[O-])ccc1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1ccco1)c1cc(C(=O)[O-])ccc1N.",
"ref_smiles": "CN(Cc1ccco1)c1cccc(C(=O)[O-])c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b07c8ce1-003b-4f64-a09b-7b4422cbce39",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCc1ccc(C(NC(=O)COc2ccc(OC)cc2)c2cccs2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCc1ccc(C(NC(=O)COc2ccc(OC)cc2)c2cccs2)cc1.",
"ref_smiles": "CCCCC(NC(=O)COc1ccc(OC)cc1)c1cccs1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f10cd33c-0394-4bfd-93ad-2d863f0e721f",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1.",
"ref_smiles": "COc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bf03f90f-8e1a-435b-b0f3-a766dabab23c",
"task": "delete",
"question": "Modify the molecule CCc1oc2nc(-c3ccsc3)nn2c1C(=O)NCc1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1oc2nc(-c3ccsc3)nn2c1C(=O)NCc1ccccc1",
"ref_smiles": "CCc1oc2nc(-c3ccsc3)nn2c1C(=O)NC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "936183a2-3073-478d-8ce7-949700fd485d",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)COC(=O)NCCc1cccc(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)COC(=O)NCCc1cccc(F)c1.",
"ref_smiles": "CC(C)COC(=O)NCCc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d4433e1d-d4ec-4ab9-8696-81bf16c263c0",
"task": "delete",
"question": "Modify the molecule O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[nH]1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[nH]1",
"ref_smiles": "O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[nH]1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "25d22ba4-5c4e-4819-ae53-c3511a286b35",
"task": "delete",
"question": "Modify the molecule Cc1ccc(CC2c3ccccc3Sc3ccccc32)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CC2c3ccccc3Sc3ccccc32)cc1",
"ref_smiles": "CCC1c2ccccc2Sc2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "323f6a40-499f-4ea0-b822-3907805f3914",
"task": "delete",
"question": "Modify the molecule CC1(c2ccccc2)OOC(C)(C2CC3CCCC(C3)C2)O1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(c2ccccc2)OOC(C)(C2CC3CCCC(C3)C2)O1",
"ref_smiles": "CC1OOC(C)(C2CC3CCCC(C3)C2)O1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e3c8153c-6672-4b45-92d3-7a3f2e0ff796",
"task": "delete",
"question": "Modify the molecule CC1(c2cc(CCO)cc(C(c3cc(CCO)cc(C4(C)CCCCC4)c3O)C3CCSC3)c2O)CCCCC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(c2cc(CCO)cc(C(c3cc(CCO)cc(C4(C)CCCCC4)c3O)C3CCSC3)c2O)CCCCC1",
"ref_smiles": "CC1(c2cc(CCO)cc(C(c3cc(CCO)cc(C4(C)CCCCC4)c3)C3CCSC3)c2)CCCCC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "671e6bc7-7f1d-42c2-98e4-11cdd7975b87",
"task": "delete",
"question": "Please remove a amide from the molecule CCCC(=O)Nc1ccc(C(=O)OCC)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(=O)Nc1ccc(C(=O)OCC)cc1.",
"ref_smiles": "CCOC(=O)c1ccc(CC)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f6157466-77b9-41ce-85cf-b1d9d1263371",
"task": "delete",
"question": "Please remove a amine from the molecule CNc1cc(Sc2n[nH]c(=O)n2C)nc(SC)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNc1cc(Sc2n[nH]c(=O)n2C)nc(SC)n1.",
"ref_smiles": "CSc1nc(C)cc(Sc2n[nH]c(=O)n2C)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "5c6ed796-3e31-4202-b3a1-7ad8c84c582e",
"task": "delete",
"question": "Please remove a amine from the molecule Fc1ccc(NCc2cc(Br)c(Br)o2)c(I)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Fc1ccc(NCc2cc(Br)c(Br)o2)c(I)c1.",
"ref_smiles": "Fc1ccc(Cc2cc(Br)c(Br)o2)c(I)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "876f9ea7-456b-414c-b058-e7089e90ece5",
"task": "delete",
"question": "Please remove a amide from the molecule CCCc1cc(=O)nc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCc1cc(=O)nc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)[nH]1.",
"ref_smiles": "CCCc1cc(=O)nc(SCc2csc(-c3ccc(CC)cc3)n2)[nH]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4408b57b-5599-48ce-8982-b0c83cc0753f",
"task": "delete",
"question": "Please remove a halo from the molecule CC1C[NH2+]C(C2CC2)CN1C(C)CC(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1C[NH2+]C(C2CC2)CN1C(C)CC(F)(F)F.",
"ref_smiles": "CC1C[NH2+]C(C2CC2)CN1C(C)CC(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1c446e4f-300d-45b4-a5cf-7b5eedf3145b",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cscn2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cscn2)CC1.",
"ref_smiles": "O=C(c1ccccc1)N1CCN(C(=O)c2cscn2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a930e823-6396-4cad-92c2-091d326e6359",
"task": "delete",
"question": "Modify the molecule CCC1OC(=O)N=C(c2ccccc2)S1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1OC(=O)N=C(c2ccccc2)S1",
"ref_smiles": "CCC1OC(=O)N=CS1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "801b05f6-968a-4228-bc8d-b0b70675e176",
"task": "delete",
"question": "Modify the molecule COc1ccc2cc(CNC(=O)Cn3nc4ccccn4c3=O)ccc2c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc2cc(CNC(=O)Cn3nc4ccccn4c3=O)ccc2c1",
"ref_smiles": "COc1ccc2cc(Cn3nc4ccccn4c3=O)ccc2c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "93f89de8-42db-447c-bb80-4fde29ad0c19",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1cc(C)c(B(C[Si](C)(C)C)c2c(C)cc(OC)cc2C)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C)c(B(C[Si](C)(C)C)c2c(C)cc(OC)cc2C)c(C)c1.",
"ref_smiles": "COCCB(C[Si](C)(C)C)c1c(C)cc(OC)cc1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f6c145ee-ef9c-489d-bb21-8dc23978dbd4",
"task": "delete",
"question": "Modify the molecule Cc1cccc(CC(=O)N(C)C(CO)C(=O)[O-])c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(CC(=O)N(C)C(CO)C(=O)[O-])c1",
"ref_smiles": "CCC(=O)N(C)C(CO)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "38038977-5362-4a2f-a870-3d7d4176724f",
"task": "delete",
"question": "Modify the molecule CN(Cc1ccccc1OC(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1ccccc1OC(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCSCC1",
"ref_smiles": "CN(COC(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCSCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d25b2704-cbc7-4572-93f5-14fb1e5c043b",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(=O)N1CCCC(O)(c2nc(C)c(CCOc3ccc(OC)cc3)s2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)N1CCCC(O)(c2nc(C)c(CCOc3ccc(OC)cc3)s2)CC1.",
"ref_smiles": "COc1ccc(OCCc2sc(C3(O)CCCC(C)C3)nc2C)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "9a391802-b823-40e1-b176-0891e63da224",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=Nc1ccccc1)C(=NNc1ccc(C)cc1)C(=O)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=Nc1ccccc1)C(=NNc1ccc(C)cc1)C(=O)c1ccccc1.",
"ref_smiles": "CC(=Nc1ccccc1)C(C=O)=NNc1ccc(C)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3f68cd40-4283-4eec-8cf2-58408508eee7",
"task": "delete",
"question": "Modify the molecule [NH3+]CCNC(=O)C1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]CCNC(=O)C1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1",
"ref_smiles": "[NH3+]CCNC(=O)C1CCCC1Cn1cnc2ccccc2c1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3e7d4c1e-0849-4eb6-b3dd-bde2130a0d17",
"task": "delete",
"question": "Modify the molecule C[NH2+]C1CCCC1(O)c1cccc(Cl)c1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C1CCCC1(O)c1cccc(Cl)c1",
"ref_smiles": "C[NH2+]C1CCCC1c1cccc(Cl)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "0ff0bea4-7ac3-4510-b126-5cf6ef8cecc0",
"task": "delete",
"question": "Please remove a amide from the molecule CCCc1ccc(S(=O)(=O)N2CCCN(C(=O)CC)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCc1ccc(S(=O)(=O)N2CCCN(C(=O)CC)CC2)cc1.",
"ref_smiles": "CCCc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f8c0f2de-fcdf-4361-9893-0a983ef2c823",
"task": "delete",
"question": "Please remove a benzene ring from the molecule [NH3+]CC#Cc1cccc(CNS(=O)(=O)N2CCCC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]CC#Cc1cccc(CNS(=O)(=O)N2CCCC2)c1.",
"ref_smiles": "[NH3+]CC#CCNS(=O)(=O)N1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a0a0d182-c614-4a54-9d05-7fc4cb856795",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C=CCn1c(=NS(=O)(=O)c2ccc(OC)cc2)sc2cc(OCC)ccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCn1c(=NS(=O)(=O)c2ccc(OC)cc2)sc2cc(OCC)ccc21.",
"ref_smiles": "C=CCn1c(=NS(=O)(=O)OC)sc2cc(OCC)ccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "13bc1285-13ee-4664-8da7-e49e87e629d9",
"task": "delete",
"question": "Modify the molecule CCN(N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1",
"ref_smiles": "CCN(N1CC[NH2+]CC1)[SH](=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c6f833a3-ed85-408e-933e-3a0b434ab822",
"task": "delete",
"question": "Modify the molecule CC(C)(C)C(NC(=O)c1nn(Cc2ccc(C#N)cc2F)c2ccccc12)C(=O)NCCNC(=O)C1CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C(NC(=O)c1nn(Cc2ccc(C#N)cc2F)c2ccccc12)C(=O)NCCNC(=O)C1CC1",
"ref_smiles": "CC(C)(C)C(NC(=O)c1nn(C(F)C#N)c2ccccc12)C(=O)NCCNC(=O)C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d0c1d779-a46b-40fe-9e42-eb1c998c8699",
"task": "delete",
"question": "Please remove a halo from the molecule CC=C(C=C(CCC(F)(F)F)C(F)(F)F)C[NH+](C1CC(CC)N(c2nc(N3CCC(C(=O)OCC)CC3)ncc2Cl)C1)C1N=CC(N2CCOC2=O)=CN1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC=C(C=C(CCC(F)(F)F)C(F)(F)F)C[NH+](C1CC(CC)N(c2nc(N3CCC(C(=O)OCC)CC3)ncc2Cl)C1)C1N=CC(N2CCOC2=O)=CN1.",
"ref_smiles": "CC=C(C=C(CCC(F)F)C(F)(F)F)C[NH+](C1CC(CC)N(c2nc(N3CCC(C(=O)OCC)CC3)ncc2Cl)C1)C1N=CC(N2CCOC2=O)=CN1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ec8859ea-b266-413a-8bd1-b7b2a2bff5f4",
"task": "delete",
"question": "Modify the molecule Cc1cccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)c1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)c1C",
"ref_smiles": "CN(C)C(=O)CSCc1cc(=O)n2ccsc2n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e979cf3b-311a-4ecc-b4b2-1874cfe7533c",
"task": "delete",
"question": "Modify the molecule CN(C)C(=O)c1ccc(N)cc1N1CCn2cnnc2C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)c1ccc(N)cc1N1CCn2cnnc2C1",
"ref_smiles": "CCc1(N2CCn3cnnc3C2)cc(N)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "36a6cdf0-d948-4670-aaf5-202d5b57b232",
"task": "delete",
"question": "Modify the molecule CCOC(=O)C(=O)C=C(O)c1ccc([N+](=O)[O-])cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C(=O)C=C(O)c1ccc([N+](=O)[O-])cc1",
"ref_smiles": "CCOC(=O)C(=O)C=C(O)[N+](=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "550d22a1-d217-41bd-98a2-93fcccb3271b",
"task": "delete",
"question": "Modify the molecule O=C(c1ncccc1O)N1CCS(=O)CC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1ncccc1O)N1CCS(=O)CC1",
"ref_smiles": "O=C(c1ccccn1)N1CCS(=O)CC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "23105a3a-f4d7-4101-bea3-d417ae029111",
"task": "delete",
"question": "Please remove a halo from the molecule C=NOc1ccnc(Cl)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=NOc1ccnc(Cl)n1.",
"ref_smiles": "C=NOc1ccncn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7cfa6d2b-c607-4926-a3c2-3edd9bc58263",
"task": "delete",
"question": "Modify the molecule CCNC(=[NH+]CCCOCC(C)C)N(C)Cc1cccn1C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(=[NH+]CCCOCC(C)C)N(C)Cc1cccn1C",
"ref_smiles": "CCNC(CCCOCC(C)C)N(C)Cc1cccn1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "de9cd142-579a-4139-92d2-e05793506190",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C(=O)NC1CCCCC1)[NH+]1CCCN(C(=O)CCc2ccccc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C(=O)NC1CCCCC1)[NH+]1CCCN(C(=O)CCc2ccccc2)CC1.",
"ref_smiles": "CC(C(=O)NC1CCCCC1)[NH+]1CCCN(CCc2ccccc2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "47adf1c9-f19d-4a5c-bbd4-0e75d96fb49d",
"task": "delete",
"question": "Modify the molecule CCCN1c2ccccc2NCC12CCCCCC2 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN1c2ccccc2NCC12CCCCCC2",
"ref_smiles": "CCCN1c2ccccc2CC12CCCCCC2",
"add_group": null,
"remove_group": "amine"
},
{
"id": "833df3e9-06a6-4029-af78-653f023803de",
"task": "delete",
"question": "Modify the molecule CC(=O)Nc1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)Nc1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1",
"ref_smiles": "CC(=O)Nc1ccc(C2=C(c3ccc(OC(C)C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "70d2ffab-3b46-4efb-b5e7-4cbd6c28ce86",
"task": "delete",
"question": "Please remove a amine from the molecule CCCNc1nc(C)cc(N2CCC3CCCCC3C2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCNc1nc(C)cc(N2CCC3CCCCC3C2)n1.",
"ref_smiles": "CCCc1nc(C)cc(N2CCC3CCCCC3C2)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "912c889b-9889-4356-a158-4183d27f8425",
"task": "delete",
"question": "Modify the molecule NC(Cc1ccc(O)cc1)C1NCCC(C(=O)[O-])[NH2+]1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(Cc1ccc(O)cc1)C1NCCC(C(=O)[O-])[NH2+]1",
"ref_smiles": "NC(Cc1ccc(O)cc1)C1CCC(C(=O)[O-])[NH2+]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6e9c3af3-6d42-4992-9e5b-6292067e5a5a",
"task": "delete",
"question": "Modify the molecule CCC(=O)N1c2ccccc2C=CC1CNS(C)(=O)=O by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)N1c2ccccc2C=CC1CNS(C)(=O)=O",
"ref_smiles": "CCC(=O)N1c2ccccc2C=CC1CS(C)(=O)=O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "be9cbd27-93ac-41a4-8ab6-1e8c47f66907",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCCOCC(O)C[NH2+]CCn1cc(C)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOCC(O)C[NH2+]CCn1cc(C)cn1.",
"ref_smiles": "CCCCOCCC[NH2+]CCn1cc(C)cn1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "ee0f6412-fd35-4ba7-9d41-b7f9f7d5a38e",
"task": "delete",
"question": "Modify the molecule CC(C)(C)[Si](C)(C)OC1CC(=O)CC(O)C1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)[Si](C)(C)OC1CC(=O)CC(O)C1",
"ref_smiles": "CC(C)(C)[Si](C)(C)OC1CCCC(=O)C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "0a39d042-6f8a-4098-8c04-6d74bc8431d9",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule OC(CCCOc1ccc(Br)cc1)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "OC(CCCOc1ccc(Br)cc1)c1ccccc1.",
"ref_smiles": "Brc1ccc(OCCCCc2ccccc2)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "4e9cfb7e-70d3-4906-89f9-73105aeeba4a",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ccc(Oc2ccc(N3CC(C(=O)OCC(=O)Nc4ccccc4Cl)CC3=O)cc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Oc2ccc(N3CC(C(=O)OCC(=O)Nc4ccccc4Cl)CC3=O)cc2)cc1.",
"ref_smiles": "COc1ccc(Oc2ccc(N3CC(C(=O)OCC(=O)Nc4ccccc4)CC3=O)cc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d359d051-11f7-41e0-a5c6-7a99be67c1c2",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=[N+]([O-])CC(O)c1c[nH+]c(-c2nc3ccccc3n2CCO)[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=[N+]([O-])CC(O)c1c[nH+]c(-c2nc3ccccc3n2CCO)[nH]1.",
"ref_smiles": "CCn1c(-c2[nH]c(C(O)C[N+](=O)[O-])c[nH+]2)nc2ccccc21",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "cf511a7a-4c5d-4595-915d-bf36c28e3ef6",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule OCCCC[NH2+]CC(O)c1ccc(F)c(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "OCCCC[NH2+]CC(O)c1ccc(F)c(F)c1.",
"ref_smiles": "OCCCC[NH2+]CCc1ccc(F)c(F)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "c6ed8ca6-f77a-430c-bb89-5d4a578228a3",
"task": "delete",
"question": "Please remove a amine from the molecule C[NH+]1C(C)(C)CC(Nc2nc(Nc3ccc(OC4CC[NH+](CCF)CC4)c(OC(F)F)c3)ncc2F)CC1(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1C(C)(C)CC(Nc2nc(Nc3ccc(OC4CC[NH+](CCF)CC4)c(OC(F)F)c3)ncc2F)CC1(C)C.",
"ref_smiles": "C[NH+]1C(C)(C)CC(Nc2nc(-c3ccc(OC4CC[NH+](CCF)CC4)c(OC(F)F)c3)ncc2F)CC1(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "12c66150-6b1e-4422-88a7-d17a35ff9377",
"task": "delete",
"question": "Modify the molecule CC(C)=CC(NN)C1CCc2ccccc21 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)=CC(NN)C1CCc2ccccc21",
"ref_smiles": "CC(C)=CC(N)C1CCc2ccccc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4e828010-586e-4f27-9e13-6210fdb40b0f",
"task": "delete",
"question": "Modify the molecule COc1ccccc1COCCCOc1ccc(C2C(O)CN(OC(=O)OC(C)(C)C)CC2O)cc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1COCCCOc1ccc(C2C(O)CN(OC(=O)OC(C)(C)C)CC2O)cc1",
"ref_smiles": "COc1ccccc1COCCCOc1ccc(C2CCN(OC(=O)OC(C)(C)C)CC2O)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1e4c12c3-0695-45e9-8b3f-af7d3a7c52c2",
"task": "delete",
"question": "Please remove a nitrile from the molecule CC(C)C(C)(C)[Si](C)(C)OCN1C=CC(c2ccccc2)C(C#N)=C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(C)(C)[Si](C)(C)OCN1C=CC(c2ccccc2)C(C#N)=C1.",
"ref_smiles": "CC(C)C(C)(C)[Si](C)(C)OCN1C=CC(c2ccccc2)C=C1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "ea429b2a-101b-4479-8614-b4136091388f",
"task": "delete",
"question": "Please remove a amine from the molecule CCOP(=O)(OCC)C1C=CCNN1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOP(=O)(OCC)C1C=CCNN1.",
"ref_smiles": "CCOP(=O)(OCC)C1C=CCN1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "65cbeeb4-e6c5-47b7-9dc6-46971b773da7",
"task": "delete",
"question": "Modify the molecule C[NH+]1CCc2c([nH]c3cc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)ccc23)C1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1CCc2c([nH]c3cc(-n4ccc(OCc5ccc(C(F)(F)F)cc5)cc4=O)ccc23)C1",
"ref_smiles": "C[NH+]1CCc2c([nH]c3cc(-n4ccc(OCC(F)(F)F)cc4=O)ccc23)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3666dccc-7636-418e-ae78-8200818b966f",
"task": "delete",
"question": "Modify the molecule C[NH+]1CCN(c2ccc(-c3cc(NCCc4cccc5c4OCC54CC4)ncn3)cn2)CC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1CCN(c2ccc(-c3cc(NCCc4cccc5c4OCC54CC4)ncn3)cn2)CC1",
"ref_smiles": "C[NH+]1CCN(c2ccc(-c3cc(CCc4cccc5c4OCC54CC4)ncn3)cn2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "63af360b-1b95-4fe3-8910-3c8fd10d0953",
"task": "delete",
"question": "Modify the molecule O=C1CC[NH+](Cc2ccccc2C(F)(F)F)CCN1CC[NH+]1CCCCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CC[NH+](Cc2ccccc2C(F)(F)F)CCN1CC[NH+]1CCCCC1",
"ref_smiles": "FC(F)(F)c1ccccc1C[NH+]1CC(CC[NH+]2CCCCC2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "c4e14328-6239-4802-8186-e80e39bfc5a8",
"task": "delete",
"question": "Modify the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2C1c1ccccc1OC(C)C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2C1c1ccccc1OC(C)C",
"ref_smiles": "CCOC(=O)C1=C(C)N=c2sc(=C(OI)OCC)c(=O)n2C1c1ccccc1OC(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8c67f570-e2ee-41af-a6e4-4ea3125bcd1e",
"task": "delete",
"question": "Modify the molecule CC(C)CCS(=O)(=O)Nc1cccc2ccccc12 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CCS(=O)(=O)Nc1cccc2ccccc12",
"ref_smiles": "CC(C)CCS(=O)(=O)c1cccc2ccccc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "fb212b5c-7d36-4ac6-a168-b10b744d29f1",
"task": "delete",
"question": "Modify the molecule O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCC1(c2ccc(Cl)cc2)CCOCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCC1(c2ccc(Cl)cc2)CCOCC1",
"ref_smiles": "O=C1CCc2cc(OCCCC3(c4ccc(Cl)cc4)CCOCC3)ccc2N1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "49ddfb5d-6a43-476d-82a5-2115ac6966ba",
"task": "delete",
"question": "Please remove a amide from the molecule CCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O.",
"ref_smiles": "CCC1(C)C(=O)N1C(C)Cc1ccco1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e8ff3414-7a8c-44c6-9323-5171a3fd37d3",
"task": "delete",
"question": "Modify the molecule C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3cccc(N)c3)CSC12)c1csc(N)n1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3cccc(N)c3)CSC12)c1csc(N)n1",
"ref_smiles": "C#CCON=C(C(=O)NC1SCC(C[n+]2cccc(N)c2)=C1C(=O)O)c1csc(N)n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d0532ef0-548c-40ac-9558-19ca9a0f2eb4",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule C=C1CCC2C(C)(CCC=C(C)C)C(OC(=O)C(O)C(C)CC)CCC2(C)C1Cc1c(OC)oc(C)c(C)c1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C1CCC2C(C)(CCC=C(C)C)C(OC(=O)C(O)C(C)CC)CCC2(C)C1Cc1c(OC)oc(C)c(C)c1=O.",
"ref_smiles": "C=C1CCC2C(C)(CCC=C(C)C)C(OC(=O)CC(C)CC)CCC2(C)C1Cc1c(OC)oc(C)c(C)c1=O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5d54d081-d836-4072-b9bb-b2adf4a8b72c",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(-n2c(C)c(C(=O)NCc3cccc(F)c3C3CC3)c3cccc(F)c3c2=O)no1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(-n2c(C)c(C(=O)NCc3cccc(F)c3C3CC3)c3cccc(F)c3c2=O)no1.",
"ref_smiles": "Cc1cc(-n2c(C)c(C(=O)NCc3ccccc3C3CC3)c3cccc(F)c3c2=O)no1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "829c7c30-3c29-455b-bf01-cd3f60876942",
"task": "delete",
"question": "Please remove a amide from the molecule CCCCCCCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccc(O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccc(O)cc1.",
"ref_smiles": "CCCCCCCC(C(=O)Nc1ccc2ccccc2c1)(c1ccc(O)cc1)C(S)NC(=O)OC(C)(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1bf9a381-d650-4804-ba58-1f19e2cf1f20",
"task": "delete",
"question": "Please remove a nitrile from the molecule CN(CCC#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(CCC#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1.",
"ref_smiles": "CCN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "dbe25e5b-3c91-4bd8-b29f-e581bf568396",
"task": "delete",
"question": "Please remove a halo from the molecule O=C([O-])CCS(=O)(=O)N1CCN(CC(F)(F)F)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CCS(=O)(=O)N1CCN(CC(F)(F)F)CC1.",
"ref_smiles": "O=C([O-])CCS(=O)(=O)N1CCN(CC)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "38222995-d145-43e2-8cb0-8e156b307f84",
"task": "delete",
"question": "Modify the molecule CC(O)C(C)[NH2+]C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(O)C(C)[NH2+]C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1",
"ref_smiles": "CCC(C)[NH2+]C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "016dcb96-8a74-4039-8fa6-d0b0077d17fa",
"task": "delete",
"question": "Please remove a amine from the molecule COc1ccc2[nH]cc(CCNN(c3ccccc3)S(=O)[O-])c2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc2[nH]cc(CCNN(c3ccccc3)S(=O)[O-])c2c1.",
"ref_smiles": "COc1ccc2[nH]cc(CCN(c3ccccc3)S(=O)[O-])c2c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a6f988b1-f469-4d8d-a897-c8f5c77c95e7",
"task": "delete",
"question": "Please remove a halo from the molecule COC1CN(c2ccc(N)cc2C(F)F)CCC1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC1CN(c2ccc(N)cc2C(F)F)CCC1C.",
"ref_smiles": "COC1CN(c2ccc(N)cc2CF)CCC1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "abab656d-2218-4a81-8ec5-b5441b584b63",
"task": "delete",
"question": "Modify the molecule COc1cccc(OCC(=O)C(Cc2c[nH]c3ccccc23)C([NH3+])NC(=O)CCc2ccccc2OC)c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(OCC(=O)C(Cc2c[nH]c3ccccc23)C([NH3+])NC(=O)CCc2ccccc2OC)c1",
"ref_smiles": "COc1cccc(OCC(=O)C(Cc2c[nH]c3ccccc23)C([NH3+])Cc2ccccc2OC)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ae0aa973-c6b6-4e0f-810e-c3c6c44a9080",
"task": "delete",
"question": "Modify the molecule CC(=O)N1CCc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1CCc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc21",
"ref_smiles": "CC(=O)N1CCc2cc(C(=O)N(CC#N)CC[NH+](C)C)ccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c0f1ae35-8450-4ea9-afa4-00bb0946a975",
"task": "delete",
"question": "Modify the molecule N#CNC(=NCCCCCCN(CCC[NH+]1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1cc[nH+]cc1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CNC(=NCCCCCCN(CCC[NH+]1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1cc[nH+]cc1",
"ref_smiles": "NC(=NCCCCCCN(CCC[NH+]1CCOCC1)S(=O)(=O)C1CCCCC1)Nc1cc[nH+]cc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "8f321996-5331-4d5e-b27c-53149c607040",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C)cc(OCC(=O)c2coc3ccccc23)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)cc(OCC(=O)c2coc3ccccc23)c1.",
"ref_smiles": "CCOCC(=O)c1coc2ccccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "467b5aee-834d-40f3-9ef7-ba50b72a1870",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc(-c2cnccc2-c2cnc(Nc3cccc(F)c3)s2)c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2cnccc2-c2cnc(Nc3cccc(F)c3)s2)c(Cl)c1.",
"ref_smiles": "Cc1ccc(-c2cnccc2-c2cnc(-c3cccc(F)c3)s2)c(Cl)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7ed3eba4-f0c2-4505-add6-bfe1bc35dc00",
"task": "delete",
"question": "Modify the molecule CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(nnc2-c2ccc(OC)cc2)S1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(nnc2-c2ccc(OC)cc2)S1",
"ref_smiles": "CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(OC)nnc2S1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7a6fbeba-0cca-4781-bdd5-641530785df2",
"task": "delete",
"question": "Please remove a halo from the molecule CCOC(=O)c1cnn(Cc2cc(Br)ccc2F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1cnn(Cc2cc(Br)ccc2F)c1.",
"ref_smiles": "CCOC(=O)c1cnn(Cc2ccccc2F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b2c1be2b-edcb-4cba-88f1-81be1ad237d3",
"task": "delete",
"question": "Modify the molecule CN(C(=O)NC(CCC(N)=O)C(=O)[O-])C1CCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C(=O)NC(CCC(N)=O)C(=O)[O-])C1CCC1",
"ref_smiles": "CC(NC(=O)N(C)C1CCC1)C(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1470cb30-fe4e-4b5f-b23c-99350f1dc42e",
"task": "delete",
"question": "Please remove a amine from the molecule CC(O)(CNc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(O)(CNc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1.",
"ref_smiles": "CC(O)(Cc1nc(-c2ccccc2)c2ccccc2n1)c1ccco1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "409e85e6-d1c0-46cc-a6ef-9e56c3bdc552",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)C[NH2+]CC(O)c1ccc(O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C[NH2+]CC(O)c1ccc(O)cc1.",
"ref_smiles": "CC(C)C[NH2+]CC(O)O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cbe9e9c5-5d8d-4d20-8a6f-dad2c6c75885",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(-c2noc(C3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(-c2noc(C3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1",
"ref_smiles": "CCOc1ccc(-c2noc(C3CC(=O)N(c4ccccc4)C3)n2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f46f6ab6-7aa4-4b58-9be6-a965800629bd",
"task": "delete",
"question": "Please remove a amine from the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cn3c(C(=O)O)c[n+]4ccccc34)CSC12)c1csc(N)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cn3c(C(=O)O)c[n+]4ccccc34)CSC12)c1csc(N)n1.",
"ref_smiles": "CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cn3c(C(=O)O)c[n+]4ccccc34)CSC12)c1cscn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "2c630701-7d0f-48ab-ae42-166fda1bece1",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1OC by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1OC",
"ref_smiles": "CCOc1ccc(C(=O)Oc2c(C)nn(C)c2C)cc1OC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "27deec2c-69a1-4e7e-878b-f71eee09232a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)(C)c1ccc(NC(=O)CCC(=O)NC2CCC(Cc3ccccc3)([NH+]3CCOCC3)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)c1ccc(NC(=O)CCC(=O)NC2CCC(Cc3ccccc3)([NH+]3CCOCC3)CC2)cc1.",
"ref_smiles": "CC(C)(C)c1ccc(NC(=O)CCC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6d5ddcdc-49c7-4d1b-8ed0-49fd7c70c175",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1.",
"ref_smiles": "CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c95a8fce-9df6-4eef-bb52-44147842f9ec",
"task": "delete",
"question": "Modify the molecule CCN(CC1CC1)CC([NH2+]C)c1cccc(C(F)(F)F)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(CC1CC1)CC([NH2+]C)c1cccc(C(F)(F)F)c1",
"ref_smiles": "CCN(CC1CC1)CC([NH2+]C)C(F)(F)F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7b6eed2b-6cb7-45db-b5af-2da5edbe0896",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(NC(=O)c2cccc(OC(F)F)c2)nn1Cc1ccc(Cl)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(NC(=O)c2cccc(OC(F)F)c2)nn1Cc1ccc(Cl)cc1.",
"ref_smiles": "Cc1cc(NC(=O)c2cccc(OC(F)F)c2)nn1CCl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "99e30232-a8e3-41f7-8400-f91870f2cd8b",
"task": "delete",
"question": "Modify the molecule S=c1c2[nH]cnc2ncn1CCCS by removing a thiol.\nPlease wrap the final SMILES in ....",
"src_smiles": "S=c1c2[nH]cnc2ncn1CCCS",
"ref_smiles": "CCCn1cnc2nc[nH]c2c1=S",
"add_group": null,
"remove_group": "thiol"
},
{
"id": "3005e1e4-838d-4ef4-bf22-ac523c6ff5c8",
"task": "delete",
"question": "Modify the molecule O=C([O-])CCCNC(=O)NC1CCOc2ccc(Br)cc21 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CCCNC(=O)NC1CCOc2ccc(Br)cc21",
"ref_smiles": "O=C([O-])CCCNC(=O)NC1CCOc2ccccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f4560c39-e400-453b-b98f-195a1fbf366e",
"task": "delete",
"question": "Modify the molecule CC(C)(C)C1CCCCN1c1cc[nH+]c(Cl)c1N by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C1CCCCN1c1cc[nH+]c(Cl)c1N",
"ref_smiles": "CC(C)(C)C1CCCCN1c1cc[nH+]cc1N",
"add_group": null,
"remove_group": "halo"
},
{
"id": "dcd8be78-5162-4daf-8dc4-80db039ba1b6",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C(=O)Nc1cc(F)cc(Cl)c1)C(N)=S.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C(=O)Nc1cc(F)cc(Cl)c1)C(N)=S.",
"ref_smiles": "CC(C(=O)Nc1cccc(F)c1)C(N)=S",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9c78ea63-0d9a-463c-a2ab-8211f9b699c6",
"task": "delete",
"question": "Please remove a halo from the molecule CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCS1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCS1.",
"ref_smiles": "CC1(c2nc3ccc(C(F)F)cc3[nH]2)CCCS1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "83a5c03f-18a6-4400-8fbe-9ccd7fbdd8dd",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCCC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCCC2.",
"ref_smiles": "COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)OC)sc2c1CCCCC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "66f37683-c3b3-4406-84ba-fcdfa1fcad37",
"task": "delete",
"question": "Please remove a amide from the molecule CN(C)C(=O)c1ccc(N)cc1NCCCn1cccn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)c1ccc(N)cc1NCCCn1cccn1.",
"ref_smiles": "Nc1ccc(NCCCn2cccn2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "825f6d9f-7d48-4803-a98c-8bcdbd318bd5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C=Cc2cccc(C(F)(F)F)c2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C=Cc2cccc(C(F)(F)F)c2)cc1.",
"ref_smiles": "CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C=CC(F)(F)F)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "69a04ce5-4ced-48d0-bae7-b45aeea82d5e",
"task": "delete",
"question": "Modify the molecule Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)CC1",
"ref_smiles": "Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(NC(=O)c3ccccc3F)c2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1c852b91-f532-42b2-b11e-21a0bf364cb2",
"task": "delete",
"question": "Please remove a amine from the molecule CCNC(NC1CCCC1)=[NH+]CCc1ccco1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NC1CCCC1)=[NH+]CCc1ccco1.",
"ref_smiles": "CCNC(CCc1ccco1)NC1CCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "49d8b8fb-7f86-4cbc-8f00-905521a36552",
"task": "delete",
"question": "Modify the molecule O=C1Nc2cccc3c2C1C(c1ccc([N+](=O)[O-])cc1)[NH+](Cc1ccccc1)CC3 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1Nc2cccc3c2C1C(c1ccc([N+](=O)[O-])cc1)[NH+](Cc1ccccc1)CC3",
"ref_smiles": "C[NH+]1CCc2cccc3c2C(C(=O)N3)C1c1ccc([N+](=O)[O-])cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b8fcee31-dd31-4d1d-b2a3-7d3e2319c847",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(O)C(CO)[P+](=O)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(O)C(CO)[P+](=O)c1ccccc1.",
"ref_smiles": "CC(C(=O)O)[P+](=O)c1ccccc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "28f1afca-b91c-4ee8-ada8-3b0e01014293",
"task": "delete",
"question": "Modify the molecule O=C(NCCCC(=O)N(Cc1ccccc1)CC1CCCO1)c1ccc(F)cc1F by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCCCC(=O)N(Cc1ccccc1)CC1CCCO1)c1ccc(F)cc1F",
"ref_smiles": "O=C(NCCC(CC1CCCO1)c1ccccc1)c1ccc(F)cc1F",
"add_group": null,
"remove_group": "amide"
},
{
"id": "59429b1d-4136-4c78-9d4f-d62a6a9c7c52",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(N2CC(O)CC2C[NH+](C)C)ccc1C[NH3+].\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(N2CC(O)CC2C[NH+](C)C)ccc1C[NH3+].",
"ref_smiles": "CC([NH3+])N1CC(O)CC1C[NH+](C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9cf6c715-50f6-4533-abdf-29350ffb05ed",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)Cc2ccccc2)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)Cc2ccccc2)cn1.",
"ref_smiles": "Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)cn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ee3dae4b-d664-4e48-92b3-79ca1c8764b0",
"task": "delete",
"question": "Modify the molecule CCCCC(=O)N(CC1CC1)CC1CC1C1CC=CCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCC(=O)N(CC1CC1)CC1CC1C1CC=CCC1",
"ref_smiles": "CCCC(CC1CC1)C1CC1C1CC=CCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bd2677e6-750d-4e91-bc7e-8be6a11460af",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1cccc(N2C(SC)=[NH+]C(=[NH+]c3ccccc3C)C23CCOC(C)(C)C3)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(N2C(SC)=[NH+]C(=[NH+]c3ccccc3C)C23CCOC(C)(C)C3)c1.",
"ref_smiles": "CON1C(SC)=[NH+]C(=[NH+]c2ccccc2C)C12CCOC(C)(C)C2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2d5a5aeb-5cc2-4483-8437-136ff705d730",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1c(-c2ccccc2)ccn1S(=O)(=O)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1c(-c2ccccc2)ccn1S(=O)(=O)c1ccccc1",
"ref_smiles": "CCOC(=O)c1c(-c2ccccc2)ccn1[SH](=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9d87eefc-cb4d-48d9-a808-3a15eb4c7ce5",
"task": "delete",
"question": "Please remove a halo from the molecule ClCC(CCOc1cccc(Br)c1)Cc1ccc(Cl)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "ClCC(CCOc1cccc(Br)c1)Cc1ccc(Cl)cc1.",
"ref_smiles": "CC(CCOc1cccc(Br)c1)Cc1ccc(Cl)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "07ad8bec-cbee-4f98-8a12-2eff213daeb5",
"task": "delete",
"question": "Modify the molecule O=S(=O)(Cc1ccccc1)NCc1cccc(COCc2ccccc2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(Cc1ccccc1)NCc1cccc(COCc2ccccc2)c1",
"ref_smiles": "COCc1cccc(CNS(=O)(=O)Cc2ccccc2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "424a16e2-4074-478c-be5f-30068a2cee1a",
"task": "delete",
"question": "Please remove a halo from the molecule CCc1csc2[nH+]cc(C(=O)NCC3C4CC4CN3C(=O)c3c(-c4ccccc4)nc4ccc(Cl)cn34)n12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1csc2[nH+]cc(C(=O)NCC3C4CC4CN3C(=O)c3c(-c4ccccc4)nc4ccc(Cl)cn34)n12.",
"ref_smiles": "CCc1csc2[nH+]cc(C(=O)NCC3C4CC4CN3C(=O)c3c(-c4ccccc4)nc4ccccn34)n12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "81ef42e9-0fd5-420e-88b5-6454ad466395",
"task": "delete",
"question": "Modify the molecule CC1(C)CC1C[NH2+]CCCc1ccc(N)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CC1C[NH2+]CCCc1ccc(N)cc1",
"ref_smiles": "CC1(C)CC1C[NH2+]CCCN",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "44578edd-d095-454e-8005-466c2aa582f7",
"task": "delete",
"question": "Please remove a amine from the molecule CCCCC1C(=O)N(C)C(COCC)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CO)C(=O)NC(Cc2csc3ccccc23)C(=O)N1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCC1C(=O)N(C)C(COCC)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CO)C(=O)NC(Cc2csc3ccccc23)C(=O)N1C.",
"ref_smiles": "CCCCC1C(=O)N(C)C(COCC)C(=O)NC(CCCNC=[NH2+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2cnc[nH]2)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CO)C(=O)NC(Cc2csc3ccccc23)C(=O)N1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "61bb4f95-5ce9-4d53-9c8a-f6ed4ce34591",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccsc1CN(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccsc1CN(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1.",
"ref_smiles": "Cc1ccsc1CN(C)C(=O)Cn1nnc(F)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a09b53b0-ffac-4cf6-934f-41f69b028092",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(OCC(=O)Nc2cnn(CC3CCCCO3)c2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(OCC(=O)Nc2cnn(CC3CCCCO3)c2)cc1.",
"ref_smiles": "COCC(=O)Nc1cnn(CC2CCCCO2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "de98a54d-cab0-4295-bad7-ad1cec5bd318",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(C[NH+]1CCC(c2cncc(Nc3ccc(F)cn3)n2)CC1)Nc1ccccc1C(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C[NH+]1CCC(c2cncc(Nc3ccc(F)cn3)n2)CC1)Nc1ccccc1C(F)(F)F.",
"ref_smiles": "Fc1ccc(Nc2cncc(C3CC[NH+](c4ccccc4C(F)(F)F)CC3)n2)nc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "66a544ca-5746-437e-a3d5-7644bc4de651",
"task": "delete",
"question": "Modify the molecule Cc1cccc(C)c1N1C(=O)CC(Sc2ccc(NC(=O)C(=Cc3cccc(Cl)c3Cl)NC(=O)c3ccccc3)cc2)C1=O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C)c1N1C(=O)CC(Sc2ccc(NC(=O)C(=Cc3cccc(Cl)c3Cl)NC(=O)c3ccccc3)cc2)C1=O",
"ref_smiles": "Cc1cccc(C)c1[SH](CC=O)c1ccc(NC(=O)C(=Cc2cccc(Cl)c2Cl)NC(=O)c2ccccc2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e0d3112f-6000-4d54-b8bf-2b3a4db0d6bf",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(SC)cc2s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(SC)cc2s1.",
"ref_smiles": "CC[NH+](CC)CCN(C(=O)S(=O)(=O)N1CCOCC1)c1nc2ccc(SC)cc2s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f445ff16-c28c-4c60-9325-580a2399bc79",
"task": "delete",
"question": "Please remove a halo from the molecule CC(O)CNC(=O)c1cc(Br)cn1C1CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(O)CNC(=O)c1cc(Br)cn1C1CC1.",
"ref_smiles": "CC(O)CNC(=O)c1cccn1C1CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e2f748f9-6754-4265-b377-8f827ae7a1f7",
"task": "delete",
"question": "Modify the molecule CS(=O)(=O)Cc1ccccc1CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CS(=O)(=O)Cc1ccccc1CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2",
"ref_smiles": "CS(=O)(=O)CCNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "00a6bf59-c73b-47f9-8a1f-82ad6d40de89",
"task": "delete",
"question": "Please remove a amine from the molecule CCOC(=O)c1cc(N2CCOC3CCCC32)ncc1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1cc(N2CCOC3CCCC32)ncc1N.",
"ref_smiles": "CCOC(=O)c1ccnc(N2CCOC3CCCC32)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "5d3a7cd9-a83a-4fa7-b991-91afe7814dda",
"task": "delete",
"question": "Please remove a amine from the molecule O=C([O-])c1ccc2cc1OCCCCCCOc1ccc(cc1)C[NH+]=C1NC(=[NH+]C(OCC(F)(F)F)N1)N2.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])c1ccc2cc1OCCCCCCOc1ccc(cc1)C[NH+]=C1NC(=[NH+]C(OCC(F)(F)F)N1)N2.",
"ref_smiles": "O=C([O-])c1ccc2cc1OCCCCCCOc1ccc(cc1)C[NH+]=C1NC(N2)C(OCC(F)(F)F)N1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f54ff6b4-a235-4a00-92ed-c7f2a832f455",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(CBr)cnc1N(C)CC(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(CBr)cnc1N(C)CC(C)C.",
"ref_smiles": "Cc1cnc(N(C)CC(C)C)c(C)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "96593edc-5b4e-4516-a498-f9651e585a82",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C([O-])c1ccc(OCC2CCCN(C(=O)C[NH+]3CCN(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])c1ccc(OCC2CCCN(C(=O)C[NH+]3CCN(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1.",
"ref_smiles": "O=C([O-])OCC1CCCN(C(=O)C[NH+]2CCN(c3cc[nH]c4cnc5nccc5c34)CC2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "74e872e4-2d5a-4059-830f-d322274451de",
"task": "delete",
"question": "Modify the molecule CCCCCCNc1c(OCC(CC)CCCC)ccc(N)c1CC(CC)CCCC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCNc1c(OCC(CC)CCCC)ccc(N)c1CC(CC)CCCC",
"ref_smiles": "CCCCCCNc1c(OCC(CC)CCCC)cccc1CC(CC)CCCC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "06f4b7ff-8de4-4093-a237-003ab5d4eef2",
"task": "delete",
"question": "Modify the molecule O=C(c1ccccc1)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1ccccc1)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1",
"ref_smiles": "O=C(c1ccccc1)c1ccc(OCc2csc(-c3ccccc3)n2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c1f30bc4-d803-4577-b0fa-35b50aaea6cd",
"task": "delete",
"question": "Modify the molecule COc1ccc(F)c2[nH]c(C(=O)NCC3(O)C4C5CC6C7C5CC4C7C63)cc12 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(F)c2[nH]c(C(=O)NCC3(O)C4C5CC6C7C5CC4C7C63)cc12",
"ref_smiles": "COc1ccc(F)c2[nH]c(C(=O)NCC3C4C5CC6C7C5CC4C7C36)cc12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5f9b144b-5ee2-493a-bda9-0c67a22f42e7",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(OCC)c(NC(N)=NCC(c2ccccc2)[NH+]2CCCC2)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(OCC)c(NC(N)=NCC(c2ccccc2)[NH+]2CCCC2)c1",
"ref_smiles": "CCOc1ccc(OCC)c(C(N)=NCC(c2ccccc2)[NH+]2CCCC2)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "8e8e4cca-e4c7-4bea-98e3-8e59245a86b0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(OCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(OCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl.",
"ref_smiles": "Cc1cc(OCCCC(=O)N2CCN([N+](=O)[O-])CC2)ccc1Cl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "768ca348-1cbd-495f-8b2e-5adb5c2ed2c0",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CCCC[N+]([O-])=C(c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CCCC[N+]([O-])=C(c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)c1",
"ref_smiles": "CCOC(=O)CCCC[N+]([O-])=C(c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(Cl)=NCc3nnc(C)n3-4)C2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fcc89eb7-c744-4ab4-9824-021b8d5f4873",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C=CC1CC(C)(c2ccccc2)C(=O)O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC1CC(C)(c2ccccc2)C(=O)O1.",
"ref_smiles": "C=CC1CC(C)C(=O)O1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e80656c7-a4a4-456f-bf5b-278d532b7787",
"task": "delete",
"question": "Modify the molecule COC(=O)CCSCc1cccc(Nc2ncnc3[nH]ncc23)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)CCSCc1cccc(Nc2ncnc3[nH]ncc23)c1",
"ref_smiles": "COC(=O)CCSCc1cccc(-c2ncnc3[nH]ncc23)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "ec9f2411-9f69-4661-9e25-d622985c10f9",
"task": "delete",
"question": "Modify the molecule CCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c2F)CC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c2F)CC1",
"ref_smiles": "CCC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(-c3ccc(S(C)(=O)=O)cc3F)c2F)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "31d63893-4a00-4ece-8b20-c5874de85b3c",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C(=O)N(C)c2cccnc2)c(NN)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)N(C)c2cccnc2)c(NN)c1",
"ref_smiles": "Cc1ccc(C(=O)N(C)c2cccnc2)c(N)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f689891d-6073-4035-b171-e8bf44783b97",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(COc1ccc(Cl)c2cccnc12)N1CCCC1C1CCOCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(COc1ccc(Cl)c2cccnc12)N1CCCC1C1CCOCC1.",
"ref_smiles": "O=C(COc1cccc2cccnc12)N1CCCC1C1CCOCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5c5ff874-a70b-4ca5-a017-b977041d2a6e",
"task": "delete",
"question": "Please remove a amide from the molecule COC(=O)C1CC(=O)N(Cc2ccc3ccccc3c2)C12CC[NH+](Cc1ccnc3ccccc13)CC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C1CC(=O)N(Cc2ccc3ccccc3c2)C12CC[NH+](Cc1ccnc3ccccc13)CC2.",
"ref_smiles": "COC(=O)CC1(Cc2ccc3ccccc3c2)CC[NH+](Cc2ccnc3ccccc23)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "09413341-29d7-42ac-9ab6-644b020b3c0f",
"task": "delete",
"question": "Please remove a amine from the molecule CC1(C)CCC(Nc2nc(C(C)(C)C)ns2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCC(Nc2nc(C(C)(C)C)ns2)C1.",
"ref_smiles": "CC1(C)CCC(c2nc(C(C)(C)C)ns2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e6383ada-4cfa-491d-a138-bd4d522eb41e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C)c(S(=O)(=O)NCc2cnoc2C2CC2)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(S(=O)(=O)NCc2cnoc2C2CC2)c(C)c1.",
"ref_smiles": "CCCS(=O)(=O)NCc1cnoc1C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "088c1c26-4196-4aa0-a9be-48bdd77cc264",
"task": "delete",
"question": "Please remove a halo from the molecule CCC(C#N)c1cc2c3c(c1)c(Br)c(C)n3CCC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C#N)c1cc2c3c(c1)c(Br)c(C)n3CCC2.",
"ref_smiles": "CCC(C#N)c1cc2c3c(c1)cc(C)n3CCC2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "83a7c85b-1e7e-481a-b2c4-f612437ac76f",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)CCC[NH2+]Cc1ccc(Cl)cc1Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CCC[NH2+]Cc1ccc(Cl)cc1Br.",
"ref_smiles": "CC(C)CCC[NH2+]Cc1ccccc1Br",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8febe1ce-79bb-451c-8349-28d173f2d881",
"task": "delete",
"question": "Modify the molecule CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1C#N by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1C#N",
"ref_smiles": "CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "741d525e-7fc8-4cdc-a19d-bfc8a7531062",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(NC(=O)Oc2ccc3c(c2)ncn3C)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)Oc2ccc3c(c2)ncn3C)cc1C.",
"ref_smiles": "CCNC(=O)Oc1ccc2c(c1)ncn2C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1d7fcdb9-9dfc-4015-8a2b-7862aa372773",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(CCOCC(F)(F)F)N1CCN(c2ccccc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCOCC(F)(F)F)N1CCN(c2ccccc2)CC1.",
"ref_smiles": "O=C(CCOCC(F)F)N1CCN(c2ccccc2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8e7f76e6-0d75-46f2-a61a-baed35d093a2",
"task": "delete",
"question": "Modify the molecule CCOC(=O)C1CCC[NH+]1Cc1cccc(NN)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C1CCC[NH+]1Cc1cccc(NN)n1",
"ref_smiles": "CCOC(=O)C1CCC[NH+]1Cc1cccc(N)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "87855cbf-d8f8-4997-addf-53bb240504c1",
"task": "delete",
"question": "Modify the molecule CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)C1",
"ref_smiles": "Cc1ccccc1-c1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCC2)c1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "da18c5e0-9c08-45b8-9c91-8cca425390d8",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CSc1ccc(Br)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CSc1ccc(Br)cc1C.",
"ref_smiles": "COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CSc1ccccc1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bea66c6a-48e2-4b05-9f1e-8d476e4c8420",
"task": "delete",
"question": "Modify the molecule CC(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Cl",
"ref_smiles": "CC(NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a1c0fad6-ae46-440b-9786-5b84edef3741",
"task": "delete",
"question": "Please remove a benzene ring from the molecule [NH3+]C(Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C(Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.",
"ref_smiles": "CS(=O)(=O)N1CCC(C([NH3+])Cc2cccc(Cl)c2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b09f416a-ffda-4a72-8b07-b11142af0d8f",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(NCc1ccc2c(n1)CCCC2)c1ccn(C2CCCC2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCc1ccc2c(n1)CCCC2)c1ccn(C2CCCC2)n1.",
"ref_smiles": "c1cn(C2CCCC2)n1Cc1ccc2c(n1)CCCC2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5afbfa20-be6b-4c0c-a61f-12d5fbeb55ae",
"task": "delete",
"question": "Modify the molecule COc1cccc(C=NNC(=O)c2ccccc2F)c1OC(F)F by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(C=NNC(=O)c2ccccc2F)c1OC(F)F",
"ref_smiles": "COc1cccc(C=Nc2(F)cccc-2)c1OC(F)F",
"add_group": null,
"remove_group": "amide"
},
{
"id": "09c3e3e0-b090-46ff-9f08-b9c5e1069406",
"task": "delete",
"question": "Please remove a amine from the molecule COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl.",
"ref_smiles": "COc1ccc(C2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1Cl",
"add_group": null,
"remove_group": "amine"
},
{
"id": "882f859e-d78f-4adf-8a31-94be603ea732",
"task": "delete",
"question": "Modify the molecule CN(C)C(=O)Nc1ccccc1NC(=O)CCl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)Nc1ccccc1NC(=O)CCl",
"ref_smiles": "CN(C)C(=O)Nc1ccccc1NC(=O)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a9889789-0aa7-4cf6-aa97-40fece3c5404",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCN(Cc1ccccc1)C(=O)COc1ccc(I)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(Cc1ccccc1)C(=O)COc1ccc(I)cc1.",
"ref_smiles": "CCN(C)C(=O)COc1ccc(I)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "de9033c3-bfc6-4851-96c1-a56b9d8a88ff",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ncsc1NC(C)C(C)CC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ncsc1NC(C)C(C)CC",
"ref_smiles": "CCOC(=O)c1ncsc1C(C)C(C)CC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6810fd88-80f8-4135-8839-94700d93c29e",
"task": "delete",
"question": "Modify the molecule CCNc1nc(NCC)n2c(SCC(=O)N3CCc4ccccc4C3)nnc2n1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNc1nc(NCC)n2c(SCC(=O)N3CCc4ccccc4C3)nnc2n1",
"ref_smiles": "CCNc1nc(NCC)n2c(SC3CCc4ccccc43)nnc2n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "80ffc8dc-397f-41e4-bd7d-d890c6291982",
"task": "delete",
"question": "Modify the molecule O=C([O-])N1CCC2(C=C(c3ccccc3)NO2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])N1CCC2(C=C(c3ccccc3)NO2)CC1",
"ref_smiles": "O=C([O-])N1CCC2(C=CNO2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c9d2df1d-c413-4d8d-a22e-b926425b538d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C=CCc1cc(C=NCCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCc1cc(C=NCCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1.",
"ref_smiles": "C=CCc1cc(C(C=C)C(O)=NCCCCCC)ccc1O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a83e2936-ca8e-4304-b49a-92fbd2181ec7",
"task": "delete",
"question": "Modify the molecule O=C([O-])C1CCCCCC1Cc1c(F)ccc(Br)c1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C1CCCCCC1Cc1c(F)ccc(Br)c1F",
"ref_smiles": "O=C([O-])C1CCCCCC1Cc1c(F)cccc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ced16ab2-e501-4b9e-9354-96ed64523b4d",
"task": "delete",
"question": "Modify the molecule CCCC(C)(O)CNC(=O)NC1CCC(C(=O)[O-])CC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(C)(O)CNC(=O)NC1CCC(C(=O)[O-])CC1",
"ref_smiles": "CCCC(C)CNC(=O)NC1CCC(C(=O)[O-])CC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "c9479958-50f0-4fc8-8dec-aabd60ce6daa",
"task": "delete",
"question": "Please remove a amide from the molecule [NH3+]C1CC[NH+](CC(=O)NCCC2CCCO2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C1CC[NH+](CC(=O)NCCC2CCCO2)CC1.",
"ref_smiles": "[NH3+]C1CC[NH+](CCC2CCCO2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4ca5f7d4-c998-4cfa-b015-9ebad47e291c",
"task": "delete",
"question": "Modify the molecule COCCn1cc(CNC(=O)N2CCCC(C(F)(F)F)C2)cn1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCn1cc(CNC(=O)N2CCCC(C(F)(F)F)C2)cn1",
"ref_smiles": "COCCn1cc(CNC(=O)N2CCCC(C(F)F)C2)cn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "eb7d6485-c9dc-4e80-8399-f38333835c37",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccccc1C=CCC(C)(C(C)=O)C(=O)OC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1C=CCC(C)(C(C)=O)C(=O)OC(C)(C)C.",
"ref_smiles": "COC=CCC(C)(C(C)=O)C(=O)OC(C)(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9115d5c1-f7dd-4ef4-8c63-26090d78cbfa",
"task": "delete",
"question": "Please remove a amide from the molecule NC(=O)c1ccc(NC(=O)CC[NH+]2CCCC3(CCCCC3)C2)cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)c1ccc(NC(=O)CC[NH+]2CCCC3(CCCCC3)C2)cc1Cl.",
"ref_smiles": "NC(=O)c1ccc(C[NH+]2CCCC3(CCCCC3)C2)cc1Cl",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a7cea8bb-67df-4709-9dd9-114b6be6bc8d",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C(C)(C)C)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C(C)(C)C)CC2)cc1.",
"ref_smiles": "CCCCCn1ncc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "adf32f97-9f33-4d94-9517-d943292eed98",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CN(c1ncccc1C(=O)Nc1ccc(C(OCC2CCC[NH2+]2)(C(F)(F)F)C(F)(F)F)cc1)c1cc[nH+]c2[nH]ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(c1ncccc1C(=O)Nc1ccc(C(OCC2CCC[NH2+]2)(C(F)(F)F)C(F)(F)F)cc1)c1cc[nH+]c2[nH]ccc12.",
"ref_smiles": "CN(c1ncccc1C(=O)NC(OCC1CCC[NH2+]1)(C(F)(F)F)C(F)(F)F)c1cc[nH+]c2[nH]ccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3edab79e-68cc-4485-8a73-5b44128a8934",
"task": "delete",
"question": "Modify the molecule O=C(CBr)c1cc(O)c(Cl)cc1Br by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CBr)c1cc(O)c(Cl)cc1Br",
"ref_smiles": "O=C(CBr)c1ccc(Cl)cc1Br",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "ff8b8f36-6cb5-42ac-b782-5defa0486cd3",
"task": "delete",
"question": "Modify the molecule C[SiH2]C(CCN=C=O)(OCC(F)(F)F)OCC(F)(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[SiH2]C(CCN=C=O)(OCC(F)(F)F)OCC(F)(F)F",
"ref_smiles": "C[SiH2]C(CCN=C=O)(OCC(F)F)OCC(F)(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "17eacb3c-3446-4567-963a-5b3c5e951975",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.",
"ref_smiles": "CCCCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "47d5ea2c-15ac-4e4c-b0ba-560a82b9c509",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C=CC23CCC(O)(CC2)C(F)(F)C3(F)F)c(F)c1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C=CC23CCC(O)(CC2)C(F)(F)C3(F)F)c(F)c1F",
"ref_smiles": "Cc1ccc(C=CC23CCC(O)(CC2)C(F)(F)C3F)c(F)c1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d7d7a031-e212-4d8a-a1bc-23d894441205",
"task": "delete",
"question": "Modify the molecule COc1ccc(NS(=O)(=O)c2c[nH+]c(C)[nH]2)c(O)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(NS(=O)(=O)c2c[nH+]c(C)[nH]2)c(O)c1",
"ref_smiles": "CON(O)S(=O)(=O)c1c[nH+]c(C)[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "835c99f2-a0fc-4b9c-9467-286e8586a157",
"task": "delete",
"question": "Please remove a halo from the molecule Fc1ccc(Oc2nc(N3CCOCC3)nc3c2C[NH+](Cc2ccsc2)CC3)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Fc1ccc(Oc2nc(N3CCOCC3)nc3c2C[NH+](Cc2ccsc2)CC3)cc1.",
"ref_smiles": "c1ccc(Oc2nc(N3CCOCC3)nc3c2C[NH+](Cc2ccsc2)CC3)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ab8e0b87-e8cf-430b-a5f5-a16a4e149588",
"task": "delete",
"question": "Please remove a amine from the molecule Nc1nc(NCCO)nc(C2CC2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1nc(NCCO)nc(C2CC2)n1.",
"ref_smiles": "Nc1nc(CCO)nc(C2CC2)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f365702b-1eed-4cbc-bee2-79fcbd5701df",
"task": "delete",
"question": "Please remove a nitrile from the molecule COc1cccnc1NC(C)C#N.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccnc1NC(C)C#N.",
"ref_smiles": "CCNc1ncccc1OC",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "ede39218-2751-425c-9e2d-32f4eba94b46",
"task": "delete",
"question": "Modify the molecule Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1",
"ref_smiles": "Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)N(C)C(=O)[O-])cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6b027845-d6de-4108-abc7-92d8e3d555a8",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=NNC(=O)COc1ccc(C)cc1)c1cccc(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=NNC(=O)COc1ccc(C)cc1)c1cccc(Br)c1.",
"ref_smiles": "CC(Br)=NNC(=O)COc1ccc(C)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "59c7f20c-9e41-4361-862e-172367a81920",
"task": "delete",
"question": "Please remove a amine from the molecule CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl.",
"ref_smiles": "CC(C)(C)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl",
"add_group": null,
"remove_group": "amine"
},
{
"id": "c37bcef9-ba21-41fa-ac57-877ece5aa949",
"task": "delete",
"question": "Modify the molecule CCCCCOC(=O)C(C)(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(=O)c1ccc(C)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCOC(=O)C(C)(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(=O)c1ccc(C)cc1",
"ref_smiles": "CCCCCOC(=O)C(C)(C)P(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(=O)c1ccc(C)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "df2602b8-f4bd-44c8-8792-a6d8ca25d012",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cc1.",
"ref_smiles": "Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2cccnc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "15d2f146-8c22-41f0-9366-a8e2ff16c149",
"task": "delete",
"question": "Modify the molecule CC(C)(C)c1[nH]n(-c2ccc(Br)cc2)c2nnc(N)c1-2 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)c1[nH]n(-c2ccc(Br)cc2)c2nnc(N)c1-2",
"ref_smiles": "CC(C)(C)c1[nH]n(Br)c2nnc(N)c1-2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "bbc2fea3-bf45-4986-8b5d-a22ddff15281",
"task": "delete",
"question": "Modify the molecule c1ccc(CN(c2cnccn2)[n+]2ccccc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1ccc(CN(c2cnccn2)[n+]2ccccc2)cc1",
"ref_smiles": "CN(c1cnccn1)[n+]1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0063f3ac-ade9-42b6-ad8c-fc8b81fecce3",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COOCc1ccc(-n2cc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)nn2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COOCc1ccc(-n2cc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)nn2)cc1.",
"ref_smiles": "COOCn1cc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c23)nn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0e925295-aada-40d3-ad0a-c99e4876754c",
"task": "delete",
"question": "Please remove a halo from the molecule CCc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccc(F)cc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccc(F)cc2)cc1.",
"ref_smiles": "CCc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccccc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c46c3075-7ee8-41b3-bb08-cdefa5af494c",
"task": "delete",
"question": "Modify the molecule FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F",
"ref_smiles": "FC(F)(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8d6b27ef-ab87-45f2-a102-d43c95fa9159",
"task": "delete",
"question": "Modify the molecule CC(C)C1c2cc(C3CC3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[NH+]1CC1CC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C1c2cc(C3CC3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[NH+]1CC1CC1",
"ref_smiles": "CC(C)C1c2cc(C3CC3c3ccc4cc(C=[NH2+])ccc4c3)ccc2CC[NH+]1CC1CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7cfd09a0-c78e-4a15-b363-4c7aa11469d9",
"task": "delete",
"question": "Modify the molecule O=C([O-])c1ccccc1-c1cc2ccccc2cc1C(=O)[O-] by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])c1ccccc1-c1cc2ccccc2cc1C(=O)[O-]",
"ref_smiles": "O=C([O-])c1cc2ccccc2cc1C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9092c0ec-479e-4cdc-b939-2fbcbe4ff476",
"task": "delete",
"question": "Modify the molecule CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1",
"ref_smiles": "CCc1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C(C)C)c2n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2685c28e-61e8-4156-99a0-f5f3268a8d57",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(CSc1nncn1CCc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CSc1nncn1CCc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1.",
"ref_smiles": "CNC(=O)c1ccccc1NC(=O)CSc1nncn1CCc1cccs1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3a57a319-792a-4b59-b174-7662cb41888e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1C.",
"ref_smiles": "CCOc1ccc(S(=O)(=O)NNc2cc(-n3ccnc3)ncn2)cc1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4fe38048-3b09-4c88-a2cb-e0768e3391a4",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)(C)OC(=O)N1CC[NH+]2CCN(c3nn4c(-c5cnc(N)c(C(F)(F)F)c5)c[nH+]c4s3)CC2C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)N1CC[NH+]2CCN(c3nn4c(-c5cnc(N)c(C(F)(F)F)c5)c[nH+]c4s3)CC2C1.",
"ref_smiles": "CC(C)(C)OC(=O)N1CC[NH+]2CCN(c3nn4c(-c5cnc(N)c(C(F)F)c5)c[nH+]c4s3)CC2C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6ce43bf2-9b34-4f5e-893c-7f876984d264",
"task": "delete",
"question": "Modify the molecule CC(=O)N(C(C)C)C(C)c1cc(Cl)c(C)cc1C1CCN(C(=O)C2C[NH+](C(C)(C)C)CC2c2ccc(F)cc2F)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(C(C)C)C(C)c1cc(Cl)c(C)cc1C1CCN(C(=O)C2C[NH+](C(C)(C)C)CC2c2ccc(F)cc2F)CC1",
"ref_smiles": "CC(=O)N(C(C)C)C(C)c1cc(Cl)c(C)cc1C1CCN(C(=O)C2C[NH+](C(C)(C)C)CC2c2ccccc2F)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "078bf609-0974-4223-870b-2fae874111e4",
"task": "delete",
"question": "Please remove a amine from the molecule CCN=CC(C=N)c1cc(C(=N)c2ccc(C)c(N3CC[NH2+]CC3)n2)c(N)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN=CC(C=N)c1cc(C(=N)c2ccc(C)c(N3CC[NH2+]CC3)n2)c(N)cn1.",
"ref_smiles": "CCN=CC(C=N)c1cc(C(=N)c2ccc(C)c(N3CC[NH2+]CC3)n2)ccn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "d6870c11-2e9d-411a-81f1-d7f53923ed4a",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=[N+]([O-])C1CC(C[NH+]2CCC(O)CC2)=CCC1c1ccc(Cl)cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=[N+]([O-])C1CC(C[NH+]2CCC(O)CC2)=CCC1c1ccc(Cl)cc1Cl.",
"ref_smiles": "O=[N+]([O-])C1CC(C[NH+]2CCCCC2)=CCC1c1ccc(Cl)cc1Cl",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "70c10874-a093-4ca9-8025-f2eebbfce75b",
"task": "delete",
"question": "Please remove a amide from the molecule CCOc1ccc(-c2nc(CC(=O)NCCc3ccc(OC)c(OC(F)F)c3)cs2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(-c2nc(CC(=O)NCCc3ccc(OC)c(OC(F)F)c3)cs2)cc1.",
"ref_smiles": "CCOc1ccc(-c2nc(CCc3ccc(OC)c(OC(F)F)c3)cs2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bd04626b-3568-4997-b23f-e37b21441cdb",
"task": "delete",
"question": "Please remove a amine from the molecule CCC(C)Nc1cc(C)nn1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)Nc1cc(C)nn1C.",
"ref_smiles": "CCC(C)c1cc(C)nn1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "caff4ff6-dcf5-4acb-94c1-b674c5c153b4",
"task": "delete",
"question": "Modify the molecule CC1CN(C2CC(O)C(CO)=C2F)C(=O)NC1=O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CN(C2CC(O)C(CO)=C2F)C(=O)NC1=O",
"ref_smiles": "CC1CN(C2CC(O)C(C)=C2F)C(=O)NC1=O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "4682726c-d9f0-4536-9117-4ddea9e4913f",
"task": "delete",
"question": "Modify the molecule CCN(O)C(=O)c1sccc1Br by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(O)C(=O)c1sccc1Br",
"ref_smiles": "CCc1sccc1Br",
"add_group": null,
"remove_group": "amide"
},
{
"id": "66d5848a-acbe-40fe-b8c8-89421ab14c80",
"task": "delete",
"question": "Modify the molecule COc1cc(Nc2cc(Br)ccc2Br)c(F)cc1N by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(Nc2cc(Br)ccc2Br)c(F)cc1N",
"ref_smiles": "COc1cc(Nc2cc(Br)ccc2Br)ccc1N",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6d3f99f5-3b49-4b3c-8d4b-bfa4f4813f47",
"task": "delete",
"question": "Modify the molecule O=C(NC1(C(=O)[O-])CCOCC1)c1cccc(OC(F)F)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC1(C(=O)[O-])CCOCC1)c1cccc(OC(F)F)c1",
"ref_smiles": "O=C(NC1(C(=O)[O-])CCOCC1)c1cccc(OCF)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0e8932e8-6295-4e6d-8233-ba27084fd3f0",
"task": "delete",
"question": "Modify the molecule C=NC(NC(Nc1ccc2c(n1)NC(=O)C(C)(C)O2)=[NH+]C)=[NH+]C(CC)CC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=NC(NC(Nc1ccc2c(n1)NC(=O)C(C)(C)O2)=[NH+]C)=[NH+]C(CC)CC",
"ref_smiles": "C=NC(NC(=[NH+]C)c1ccc2c(n1)NC(=O)C(C)(C)O2)=[NH+]C(CC)CC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b90e1526-dba4-4fe9-86de-6a9cdffb4b51",
"task": "delete",
"question": "Modify the molecule C=CCCOCC[NH2+]C(C)C(=O)NC(CC)CC by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCCOCC[NH2+]C(C)C(=O)NC(CC)CC",
"ref_smiles": "C=CCCOCC[NH2+]C(C)(CC)CC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "8e9238f1-6d18-4732-8e1c-fceb93d05859",
"task": "delete",
"question": "Modify the molecule Cc1nc(C)c(C#N)c(SCC(=O)NC(C)C)n1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(C)c(C#N)c(SCC(=O)NC(C)C)n1",
"ref_smiles": "Cc1cc(SCC(=O)NC(C)C)nc(C)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "13a1fcfb-05cf-4499-8202-c49ebfb695b0",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)NCCc1c[nH]c2cc(F)ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)NCCc1c[nH]c2cc(F)ccc12.",
"ref_smiles": "COC(=O)NCCc1c[nH]c2ccccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "997db714-66f8-4a26-bf83-522ca31c6943",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)C(C(=O)OCC1CC=CCC1C)N1CCCC1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(C(=O)OCC1CC=CCC1C)N1CCCC1=O.",
"ref_smiles": "CCC(C(=O)OCC1CC=CCC1C)C(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "aa5c2f3b-8aa8-4114-b01c-c996979d2536",
"task": "delete",
"question": "Modify the molecule N#Cc1nc(C#N)c(Br)nc1N by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1nc(C#N)c(Br)nc1N",
"ref_smiles": "N#Cc1cnc(N)c(C#N)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9b8a418f-c9e1-4b2d-bb96-6b7b13dde78a",
"task": "delete",
"question": "Please remove a halo from the molecule CC([NH2+]CCN1CCCC1)c1ccc(F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC([NH2+]CCN1CCCC1)c1ccc(F)cc1.",
"ref_smiles": "CC([NH2+]CCN1CCCC1)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "08df7f40-027a-4e39-809f-cd4cae0f5e90",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCCCC(CN([O-])NC(=O)c1cccc(C[NH+]2CCN(C)CC2)c1)S(=O)(=O)c1ccc(OC)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCC(CN([O-])NC(=O)c1cccc(C[NH+]2CCN(C)CC2)c1)S(=O)(=O)c1ccc(OC)cc1.",
"ref_smiles": "CCCCCCC(CN([O-])NC(=O)C[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7d84a4db-e4c6-4b14-b89e-481ad4af83c4",
"task": "delete",
"question": "Modify the molecule CC([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1",
"ref_smiles": "CC([NH2+]c1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2df30ebd-3242-4f6b-a30b-30ee7aeb8446",
"task": "delete",
"question": "Modify the molecule Nc1ccc(Cl)c(C(=O)NCCn2ccnc2)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc(Cl)c(C(=O)NCCn2ccnc2)c1",
"ref_smiles": "O=C(NCCn1ccnc1)c1ccccc1Cl",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1d032687-22f7-48be-90a9-a7c9bc8e15af",
"task": "delete",
"question": "Modify the molecule C=CCOCC(O)C=CCC by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCOCC(O)C=CCC",
"ref_smiles": "C=CCOCCC=CCC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "ab26e0b2-601f-4415-acc4-8aa39c2a965f",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(C(C)(C)C)cc2)cc1OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(C(C)(C)C)cc2)cc1OC.",
"ref_smiles": "COc1ccc(C2=CC(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(C(C)(C)C)cc2)cc1OC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b8d9de72-d78b-46b3-9fb7-ec0a048d0324",
"task": "delete",
"question": "Please remove a amide from the molecule CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C)c1.",
"ref_smiles": "Cc1cccc(CCNC(=O)Cc2c[nH]c3ccccc23)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a4dc74d9-240c-47bd-a864-1f540c352444",
"task": "delete",
"question": "Modify the molecule C[NH+](C)CCOCCn1c(=S)[nH]c2cc(Br)ccc21 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CCOCCn1c(=S)[nH]c2cc(Br)ccc21",
"ref_smiles": "C[NH+](C)CCOCCn1c(=S)[nH]c2ccccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d6e8d741-5a10-466c-8710-afb576bfedaf",
"task": "delete",
"question": "Modify the molecule COCc1noc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCc1noc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1",
"ref_smiles": "COCc1noc(C[NH+]2CCN(c3ccc4c(n3)CCCC4)CC2)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "0925ed4b-7bea-4f2f-8c95-889165c8e402",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C([O-])C(O)c1cc(O)c(F)cc1Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C(O)c1cc(O)c(F)cc1Br.",
"ref_smiles": "O=C([O-])C(O)c1ccc(F)cc1Br",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5785f7ad-b298-4f6f-84dc-db175da94552",
"task": "delete",
"question": "Modify the molecule Cc1ccc2nc(OCC(C)C)c(C=C(C#N)C(=O)[O-])n2c1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2nc(OCC(C)C)c(C=C(C#N)C(=O)[O-])n2c1",
"ref_smiles": "Cc1ccc2nc(OCC(C)C)c(C=CC(=O)[O-])n2c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "f3a45890-23b0-4903-8d0f-000ef8805890",
"task": "delete",
"question": "Please remove a amine from the molecule NC(Nc1ccc2c(c1)CCC2)=[NH+]Cc1ccc2c(c1)COC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(Nc1ccc2c(c1)CCC2)=[NH+]Cc1ccc2c(c1)COC2.",
"ref_smiles": "NC(=[NH+]Cc1ccc2c(c1)COC2)c1ccc2c(c1)CCC2",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e8afefb7-d8a0-4599-a75e-651b56fad60f",
"task": "delete",
"question": "Modify the molecule CC1CCCC(NC(c2ccccc2)C(F)(F)F)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCCC(NC(c2ccccc2)C(F)(F)F)CC1",
"ref_smiles": "CC1CCCC(NCC(F)(F)F)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0aa397a1-40f5-49dc-b38d-8b5746ba7b35",
"task": "delete",
"question": "Modify the molecule Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1",
"ref_smiles": "Cc1ccc(NC(=O)c2ccnc(N)c2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d2c6c2da-fe02-46fd-8a28-85bb4cdaa57e",
"task": "delete",
"question": "Modify the molecule CCOC(O)c1ncnc(NCC2CCCC(c3ccc(Cl)cc3)O2)c1C by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(O)c1ncnc(NCC2CCCC(c3ccc(Cl)cc3)O2)c1C",
"ref_smiles": "CCOCc1ncnc(NCC2CCCC(c3ccc(Cl)cc3)O2)c1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "9241d1b9-05d3-4f82-ac1a-a0c2b9e3e249",
"task": "delete",
"question": "Modify the molecule Cc1ccccc1[NH+]=C(Nc1cccnc1)N1CCCC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1[NH+]=C(Nc1cccnc1)N1CCCC1",
"ref_smiles": "Cc1ccccc1[NH+]=C(c1cccnc1)N1CCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e57f40f8-a33b-44ff-b820-b5ef9a149020",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(-c2ccc(C3CCCc4ccc(C(C5CC5)C(C)C(=O)[O-])cc4O3)c(F)c2)ccn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(-c2ccc(C3CCCc4ccc(C(C5CC5)C(C)C(=O)[O-])cc4O3)c(F)c2)ccn1.",
"ref_smiles": "Cc1cc(-c2ccc(C3CCCc4ccc(C(C5CC5)C(C)C(=O)[O-])cc4O3)cc2)ccn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9d6bf382-0ed6-4193-82a3-f864cbe9bb48",
"task": "delete",
"question": "Modify the molecule COc1cc2c(c(OC)c1Cl)COC2=O by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc2c(c(OC)c1Cl)COC2=O",
"ref_smiles": "COc1cc(OC)c2c(c1)C(=O)OC2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f5eb4026-a077-40ae-9b5c-d237cea96f93",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCc1nnc(NCCS(=O)(=O)c2ccc(Cl)cc2)nc1CC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nnc(NCCS(=O)(=O)c2ccc(Cl)cc2)nc1CC.",
"ref_smiles": "CCc1nnc(NCCS(=O)(=O)Cl)nc1CC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8afbc52a-76ba-4acc-9a9c-aeacf343916f",
"task": "delete",
"question": "Please remove a amide from the molecule CN(CC1COc2ccccc2O1)C(=O)CCn1nc(-c2cccs2)oc1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(CC1COc2ccccc2O1)C(=O)CCn1nc(-c2cccs2)oc1=O.",
"ref_smiles": "CC(CC1COc2ccccc2O1)n1nc(-c2cccs2)oc1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d8892824-0c22-40e5-adf2-c81da77d803b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1.",
"ref_smiles": "COC(=O)c1cc(C(=O)OC)n(OC)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b2e8cfbe-8eb6-4dea-adfc-92667936fa75",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCN(C)c1ccc(O)c(N)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(C)c1ccc(O)c(N)c1.",
"ref_smiles": "CCN(C)c1cccc(N)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5bc92fe2-8438-43a2-96b1-86421ef49167",
"task": "delete",
"question": "Please remove a amine from the molecule CCNc1cc(N2CCCCC2CC[NH2+]C)ncn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNc1cc(N2CCCCC2CC[NH2+]C)ncn1.",
"ref_smiles": "CCc1cc(N2CCCCC2CC[NH2+]C)ncn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "5b157a8f-c33b-4d3f-a746-4d65fa2a65ac",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1",
"ref_smiles": "CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C(=O)Nc1c(F)cccc1F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c4528d0d-a0c3-4176-8e22-df6ac3af251f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(N)cc7)CC5C(CC(C)=O)N6)cc4NC(CC(C)=O)C3C2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(N)cc7)CC5C(CC(C)=O)N6)cc4NC(CC(C)=O)C3C2)cc1.",
"ref_smiles": "COC1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(c6ccc(N)cc6)CC4C(CC(C)=O)N5)cc3NC(CC(C)=O)C2C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fb44c0b4-9082-429f-bd8f-c8a451222fef",
"task": "delete",
"question": "Please remove a halo from the molecule CCc1ccc(CC)c2cc(Cl)ncc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(CC)c2cc(Cl)ncc12.",
"ref_smiles": "CCc1ccc(CC)c2cnccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c29d05ff-16bb-4b2a-93b5-2158b5dc920f",
"task": "delete",
"question": "Modify the molecule CC[NH2+]C(c1ccc(OC)cc1)C(C)SC1CCCCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH2+]C(c1ccc(OC)cc1)C(C)SC1CCCCC1",
"ref_smiles": "CC[NH2+]C(OC)C(C)SC1CCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ca9d5f3e-2adc-44ca-925c-274532d26cee",
"task": "delete",
"question": "Please remove a amide from the molecule C[NH2+]C(C)(C)C(=O)N(C)c1cc(C)c(OC)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(C)(C)C(=O)N(C)c1cc(C)c(OC)c(C)c1.",
"ref_smiles": "C[NH2+]CCCc1cc(C)c(OC)c(C)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6b3dcdb5-aece-4c20-87ac-206335805672",
"task": "delete",
"question": "Modify the molecule COc1cc(N2CCC([NH+]3CCN(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-] by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(N2CCC([NH+]3CCN(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-]",
"ref_smiles": "COc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "8a043e1f-c9bf-422e-bc54-d0e82c92d943",
"task": "delete",
"question": "Modify the molecule Cc1nccc(NC(=O)NCC(C)(O)C2CCCCC2)n1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nccc(NC(=O)NCC(C)(O)C2CCCCC2)n1",
"ref_smiles": "Cc1nccc(NC(=O)NCC(C)C2CCCCC2)n1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "0a98f34d-53e0-4341-b959-73f394223743",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C[NH3+])CCC(=O)Nc1cnoc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C[NH3+])CCC(=O)Nc1cnoc1.",
"ref_smiles": "CC(C[NH3+])Cc1cnoc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5226c243-03b3-4981-b64f-0cd35a9a2691",
"task": "delete",
"question": "Modify the molecule CNc1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CC[NH2+]C(C)C)c2c1ncn2C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNc1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CC[NH2+]C(C)C)c2c1ncn2C",
"ref_smiles": "CNc1nc2c(cc(-c3cccc(C#N)c3)n2CC[NH2+]C(C)C)c2c1ncn2C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4d3ae038-6428-4a80-8710-93bbef1366c4",
"task": "delete",
"question": "Modify the molecule COc1ccc(CC(=O)C[NH3+])cc1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC(=O)C[NH3+])cc1C",
"ref_smiles": "COCCC(=O)C[NH3+]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "767b6528-e6e9-4905-a0f9-6616c7ee3498",
"task": "delete",
"question": "Modify the molecule O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2[nH]ccc2C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2[nH]ccc2C1",
"ref_smiles": "c1cc2c([nH]1)CCC2C12CC3CC(CC(C3)C1)C2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "14e5762c-d8f6-4088-b0c1-10c284c73f14",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCC(=O)OC(Cc1ccccc1)(c1ccccc1O)C(C)C[NH+](C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)OC(Cc1ccccc1)(c1ccccc1O)C(C)C[NH+](C)C.",
"ref_smiles": "CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)C[NH+](C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "c8a2bebe-e1dd-4d10-b17c-8f28caedd5bb",
"task": "delete",
"question": "Please remove a nitrile from the molecule C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccc(C#N)cc1)C32.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccc(C#N)cc1)C32.",
"ref_smiles": "C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccccc1)C32",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "5600f8f9-6ac5-4131-b1e5-5cb9b0b635ef",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1F)C(C)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1F)C(C)=O.",
"ref_smiles": "CCN(C)C(=O)CN(CCc1ccccc1F)C(C)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "63f4868b-ac17-4d3a-bd40-1a3936ba67b0",
"task": "delete",
"question": "Modify the molecule O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCSCC2)c(Cl)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCSCC2)c(Cl)c1",
"ref_smiles": "O=C(CNC(=O)N(Cl)N1CCSCC1)N1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "467e4038-9a63-4ce3-b78d-cfdfe41f9d1a",
"task": "delete",
"question": "Modify the molecule CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1",
"ref_smiles": "CC1CN(C2CCCC2)CC(C)[NH2+]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1e61a680-a667-44e1-93a8-5c118cce3a09",
"task": "delete",
"question": "Modify the molecule COc1ccc(Cl)c(C(F)(F)F)c1N by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Cl)c(C(F)(F)F)c1N",
"ref_smiles": "COc1cccc(C(F)(F)F)c1N",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8b639403-c20c-4ce8-a8c9-fd95336267b8",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C#CCNC(=O)COC(=O)C=Cc1csc(N(C(C)=O)c2ccccc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCNC(=O)COC(=O)C=Cc1csc(N(C(C)=O)c2ccccc2)n1.",
"ref_smiles": "C#CCNC(=O)COC(=O)C=Cc1csc(NC(C)=O)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ff058be0-7789-4ab9-ae26-4fcf2e734717",
"task": "delete",
"question": "Please remove a amine from the molecule CCC(NN)c1cc(C)c(F)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(NN)c1cc(C)c(F)cc1F.",
"ref_smiles": "CCC(N)c1cc(C)c(F)cc1F",
"add_group": null,
"remove_group": "amine"
},
{
"id": "d099e06a-31e7-4ab4-a6bc-e3ba2517cf85",
"task": "delete",
"question": "Modify the molecule O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21",
"ref_smiles": "O=S(=O)(c1ccc2c(c1)CCC2)N1CCCC2CCCCC21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "dbe016aa-1593-4a97-ba92-a740d8dd5b31",
"task": "delete",
"question": "Modify the molecule COc1ccc(CC(=O)Nc2nc3scc(C)n3n2)cc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC(=O)Nc2nc3scc(C)n3n2)cc1",
"ref_smiles": "COc1ccc(-c2nc3scc(C)n3n2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e784e981-047f-4af5-a74e-186ad079f31e",
"task": "delete",
"question": "Please remove a halo from the molecule C[NH2+]CC(=O)c1c(O)ccc2cc(Br)ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]CC(=O)c1c(O)ccc2cc(Br)ccc12.",
"ref_smiles": "C[NH2+]CC(=O)c1c(O)ccc2ccccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6fe2a1a3-fe72-43bb-a4ee-c6f806455a90",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(C(O)C(C)[NH2+]CCOCCO)cc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C(O)C(C)[NH2+]CCOCCO)cc1",
"ref_smiles": "CCOc1ccc(CC(C)[NH2+]CCOCCO)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "8296ceff-cccb-4460-a113-d2d60d90074f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC1=CC(C)(C)N(C)c2cc(C)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)cc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1=CC(C)(C)N(C)c2cc(C)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)cc21.",
"ref_smiles": "CC1=CC(C)(C)N(C)c2cc(C)c(C=C(C#N)C(=O)NBr)cc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "131391f0-48e1-4e5e-8689-10a08b5c9015",
"task": "delete",
"question": "Modify the molecule CC(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1",
"ref_smiles": "CC(c1ccccc1)n1cc(C(=O)[O-])ccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f5e5db6d-492c-49f7-b61e-9d27f3102fdb",
"task": "delete",
"question": "Modify the molecule C#CCSCC[NH2+]C(C)C(=O)NC(CC)CC by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCSCC[NH2+]C(C)C(=O)NC(CC)CC",
"ref_smiles": "C#CCSCC[NH2+]C(C)(CC)CC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a4791509-ae7e-42c1-9895-6404f00f6fc2",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(NC1c2ccccc2CC1O)C(Cc1ccccc1)CC(O)CC1=Cc2ccccc2S1(=O)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC1c2ccccc2CC1O)C(Cc1ccccc1)CC(O)CC1=Cc2ccccc2S1(=O)=O.",
"ref_smiles": "O=C(NC1c2ccccc2CC1O)C(CCCC1=Cc2ccccc2S1(=O)=O)Cc1ccccc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "c25f38b2-f282-472e-b79c-f1eb0403e937",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCCCNC(=O)c1ccc(C[NH+]2CC(O)C(O)C(O)C2CO)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCNC(=O)c1ccc(C[NH+]2CC(O)C(O)C(O)C2CO)cc1.",
"ref_smiles": "CCCCCCNC(=O)C[NH+]1CC(O)C(O)C(O)C1CO",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4e9d9a7d-06d1-4ca6-8b6d-fd2ac5093e09",
"task": "delete",
"question": "Modify the molecule COCCNc1ccc2[nH+]cc(-c3cncc(OC)c3)n2n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCNc1ccc2[nH+]cc(-c3cncc(OC)c3)n2n1",
"ref_smiles": "COCCc1ccc2[nH+]cc(-c3cncc(OC)c3)n2n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "93dafd0f-e696-4d37-b53d-fd78f1893c0d",
"task": "delete",
"question": "Modify the molecule COC(=O)C(Nc1ccccc1)(c1ccccc1)C1(O)C(=O)N(C)c2ccc([N+](=O)[O-])cc21 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(Nc1ccccc1)(c1ccccc1)C1(O)C(=O)N(C)c2ccc([N+](=O)[O-])cc21",
"ref_smiles": "COC(=O)C(Nc1ccccc1)(c1ccccc1)C1C(=O)N(C)c2ccc([N+](=O)[O-])cc21",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "3ffe439f-99b0-4cc7-9668-d5b4d74bf817",
"task": "delete",
"question": "Modify the molecule COc1ccccc1CC(=O)OCC(=O)Nc1cccc(C(C)C)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1CC(=O)OCC(=O)Nc1cccc(C(C)C)c1",
"ref_smiles": "COc1ccccc1CC(=O)OCC(=O)NC(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3896faca-4159-42f2-a0d2-75a07f724e7e",
"task": "delete",
"question": "Modify the molecule CC(=O)c1ccc2noc(-c3ccc(N4CCCCC4)cc3)c2c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)c1ccc2noc(-c3ccc(N4CCCCC4)cc3)c2c1",
"ref_smiles": "CC(=O)c1ccc2noc(N3CCCCC3)c2c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "bec67936-7406-4d91-9497-ac8b7ee91658",
"task": "delete",
"question": "Modify the molecule Nc1ccccc1CC(=O)NCc1cc[nH]c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccccc1CC(=O)NCc1cc[nH]c1",
"ref_smiles": "O=C(Cc1ccccc1)NCc1cc[nH]c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0bc7f276-dcbf-411c-8687-0f2470180c99",
"task": "delete",
"question": "Modify the molecule C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C",
"ref_smiles": "C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc(C)c1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f64c9eb5-052b-45ce-81b3-328a5ac36994",
"task": "delete",
"question": "Modify the molecule O=C(Oc1ccc(-c2cc(=S)ss2)cc1)c1ccc(OCCCCO[N+](=O)[O-])cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Oc1ccc(-c2cc(=S)ss2)cc1)c1ccc(OCCCCO[N+](=O)[O-])cc1",
"ref_smiles": "O=C(OCCCCO[N+](=O)[O-])Oc1ccc(-c2cc(=S)ss2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b326d563-f010-444a-88c1-54e3ddd8b837",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(Br)cc2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(Br)cc2)cc1",
"ref_smiles": "CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccccc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a19ed508-25f4-4e93-89ce-5bdb5eee42c6",
"task": "delete",
"question": "Modify the molecule C=CCN(CCOC)C(=O)CC1COCC[NH2+]1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCN(CCOC)C(=O)CC1COCC[NH2+]1",
"ref_smiles": "C=CCC1(CCOC)COCC[NH2+]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "7fe6e0e6-70c4-484f-9d9d-5005caaceb03",
"task": "delete",
"question": "Modify the molecule Cc1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1Br by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1Br",
"ref_smiles": "Cc1ccc(NC(=O)Nc2ccccc2)cc1Br",
"add_group": null,
"remove_group": "amide"
},
{
"id": "447a3111-2ac8-413e-94d2-cc03a1ccec16",
"task": "delete",
"question": "Modify the molecule O=C(OCc1cc(Cl)ccc1F)N1C=Cc2ncsc2C1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(OCc1cc(Cl)ccc1F)N1C=Cc2ncsc2C1",
"ref_smiles": "O=C(OC(F)Cl)N1C=Cc2ncsc2C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "221edfcf-da5f-4245-8c80-95cd27a31cc6",
"task": "delete",
"question": "Modify the molecule Cc1ccc2c(C(=O)NCC[NH+]3CCN(C)CC3)nsc2c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2c(C(=O)NCC[NH+]3CCN(C)CC3)nsc2c1",
"ref_smiles": "Cc1ccc2c(c1)sn-2CC[NH+]1CCN(C)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cb50fa5c-0953-4598-8bed-c7c48d7c8cfc",
"task": "delete",
"question": "Modify the molecule CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C(C(=O)C(C)C(O)CC)C(=O)CO1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C(C(=O)C(C)C(O)CC)C(=O)CO1",
"ref_smiles": "CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C(C(=O)C(C)CCC)C(=O)CO1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "dc7f693c-cc3f-4e29-8cc4-ccb93d141253",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(CCCCCC(NC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1)NO.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCCCCC(NC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1)NO.",
"ref_smiles": "NC(=O)CCCCCC(NC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e84ff32e-b005-4cfe-a152-2618e124e572",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)c1nc(Br)c2c(cc(-c3ccccc3)c(=O)n2C(C)c2ccccc2)c1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1nc(Br)c2c(cc(-c3ccccc3)c(=O)n2C(C)c2ccccc2)c1O.",
"ref_smiles": "COC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2C(C)c2ccccc2)c1O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1394a187-8b3b-4f19-b1de-544c8a5c2289",
"task": "delete",
"question": "Please remove a halo from the molecule O=C([O-])C(CF)NC(=O)C1CC1c1ccc2ccccc2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C(CF)NC(=O)C1CC1c1ccc2ccccc2c1.",
"ref_smiles": "CC(NC(=O)C1CC1c1ccc2ccccc2c1)C(=O)[O-]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b8e35ddc-c9bb-47f0-bad7-ce37d93e6f5f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)c1ccc(C[NH2+]C(C)C2(C)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)c1ccc(C[NH2+]C(C)C2(C)CC2)cc1.",
"ref_smiles": "CC(C)C[NH2+]C(C)C1(C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0cabda2c-ad7b-43ca-bf2b-7c60cbf8a7b4",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc(Oc2ccc(NC(=O)CNC(=O)C([NH3+])C(C)C)cn2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Oc2ccc(NC(=O)CNC(=O)C([NH3+])C(C)C)cn2)cc1.",
"ref_smiles": "COc1ccc(Oc2ccc(NC(=O)CC(C)(C)[NH3+])cn2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "41d01b81-441c-4373-a647-2cf8927ae756",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccccc1NC(=O)CCSCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1NC(=O)CCSCc1ccccc1.",
"ref_smiles": "Cc1ccccc1CSCc1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b32af9ae-71bb-4227-806a-819ffd4fb250",
"task": "delete",
"question": "Modify the molecule COc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1",
"ref_smiles": "COCn1cc(CSC(=S)N2CCN(C(=O)OC(C)(C)C)CC2)nn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "031ad4a0-e0f5-446a-ba6f-91cf1a28b44b",
"task": "delete",
"question": "Please remove a halo from the molecule CC1=CCC2=C(O1)SCC1c3cc(Cl)cc(Cl)c3OCC21Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1=CCC2=C(O1)SCC1c3cc(Cl)cc(Cl)c3OCC21Br.",
"ref_smiles": "CC1=CCC2=C(O1)SCC1c3ccccc3OCC21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4baeee8b-1ed0-45a6-86bb-e4c1ed0bfd54",
"task": "delete",
"question": "Please remove a halo from the molecule N#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F.",
"ref_smiles": "N#Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "dd4e6703-b6ac-4da9-b82c-4dff839aaf27",
"task": "delete",
"question": "Modify the molecule Cc1ccc(S(=O)(=O)CC(=O)N=Cn2c(=O)[nH]c3ccccc32)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)CC(=O)N=Cn2c(=O)[nH]c3ccccc32)cc1",
"ref_smiles": "CS(=O)(=O)CC(=O)N=Cn1c(=O)[nH]c2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e6383770-ba74-4df4-95b7-c8e1c203f95a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC[NH2+]C(c1cccc(OC)c1F)C1CCCCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]C(c1cccc(OC)c1F)C1CCCCCC1.",
"ref_smiles": "CCC[NH2+]C(F)(OC)C1CCCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "dd0e81f2-ca6c-4233-8291-c0fe864bb46f",
"task": "delete",
"question": "Modify the molecule Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCNc1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCNc1ccccc1",
"ref_smiles": "Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCN",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c6b9c7ab-13e8-4dd7-a6fa-802b5a84ec2a",
"task": "delete",
"question": "Modify the molecule Cc1cc(N2CC(C)Cc3ccccc32)ccc1CBr by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(N2CC(C)Cc3ccccc32)ccc1CBr",
"ref_smiles": "Cc1ccc(N2CC(C)Cc3ccccc32)cc1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "28e6f22f-1672-4663-92ab-8383fd4bf2ea",
"task": "delete",
"question": "Modify the molecule CC(CO)C(C)Nc1ccc(S(C)(=O)=O)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(CO)C(C)Nc1ccc(S(C)(=O)=O)cc1",
"ref_smiles": "CC(CO)C(C)NS(C)(=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "07b38ebb-6325-4e86-aa4e-c2487817be68",
"task": "delete",
"question": "Modify the molecule CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1",
"ref_smiles": "CCSC(=O)NCCOc1ccc(C(C)(C)C)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e17f6201-40f1-4702-9062-d928e2c439ad",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule COCC(C)OCC(O)C[NH+]1CCSCC1C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC(C)OCC(O)C[NH+]1CCSCC1C(=O)[O-].",
"ref_smiles": "COCC(C)OCCC[NH+]1CCSCC1C(=O)[O-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1d3425eb-0ab7-4d91-8ff7-d4abc69f0183",
"task": "delete",
"question": "Modify the molecule CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCC(C)C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCC(C)C",
"ref_smiles": "CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCC(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c6ac774d-4d38-4a70-8077-009f7a7fa327",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cn1cncc1CSCCCO.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1cncc1CSCCCO.",
"ref_smiles": "CCCSCc1cncn1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1cd12908-0b04-48b4-acb0-bfca4df91442",
"task": "delete",
"question": "Please remove a halo from the molecule CC(NC(=O)C1C[NH2+]CC1c1ccccc1Cl)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(NC(=O)C1C[NH2+]CC1c1ccccc1Cl)c1ccccc1.",
"ref_smiles": "CC(NC(=O)C1C[NH2+]CC1c1ccccc1)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "21f40456-ab16-49a9-b053-ec211118f868",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)C(C)Nc1ccc(Br)nc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(C)Nc1ccc(Br)nc1.",
"ref_smiles": "CC(C)C(C)Nc1cccnc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e51dc582-5db9-4a82-b42c-d2546ee0a24b",
"task": "delete",
"question": "Modify the molecule Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1",
"ref_smiles": "Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2(Cc3ccc(F)cc3)cccc-2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1bc98728-edd6-4096-b6a4-e497139d6545",
"task": "delete",
"question": "Modify the molecule Cc1cc(CN2CC[NH+](CC(=O)NCCCN(C)c3ccccc3)CC2)no1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(CN2CC[NH+](CC(=O)NCCCN(C)c3ccccc3)CC2)no1",
"ref_smiles": "Cc1cc(CN2CC[NH+](CCCN(C)c3ccccc3)CC2)no1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "641288d1-b2a3-4fc5-9cf1-99bc9e26ff7e",
"task": "delete",
"question": "Modify the molecule CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)c(F)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)c(F)c1",
"ref_smiles": "CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c0450804-ed11-4ebb-a8fb-1e17b545de99",
"task": "delete",
"question": "Modify the molecule CSCCC(NC(=O)C([NH3+])CC(C)C)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)[O-])C(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSCCC(NC(=O)C([NH3+])CC(C)C)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)[O-])C(C)C",
"ref_smiles": "CSCC(NC(=O)C([NH3+])CC(C)C)C(C(=O)NC(CCCC[NH3+])C(=O)[O-])C(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "0fa188e4-883b-4ebd-80a4-3f62fb3f8af4",
"task": "delete",
"question": "Modify the molecule COc1cc(Cl)cc(C(C#N)CN)c1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(Cl)cc(C(C#N)CN)c1",
"ref_smiles": "COc1cc(Cl)cc(CCN)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "71b38056-6682-44f7-a914-7236a6dd809f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule OCc1nnn(-c2ccc(Cl)cc2)c1C1CCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "OCc1nnn(-c2ccc(Cl)cc2)c1C1CCC1.",
"ref_smiles": "OCc1nnn(Cl)c1C1CCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e3ff887c-741a-48f5-a3dc-fdb4ad552219",
"task": "delete",
"question": "Modify the molecule C=CCc1cc(C=C2SC(Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC(=O)OCC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCc1cc(C=C2SC(Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC(=O)OCC",
"ref_smiles": "C=CCc1cc(C=C2SC(c3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC(=O)OCC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "38e6e53f-2e60-4811-9026-df2be6d14791",
"task": "delete",
"question": "Please remove a nitrile from the molecule COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Nc3ccc(C#N)nc3F)cc3c2ncn3C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Nc3ccc(C#N)nc3F)cc3c2ncn3C)cc1.",
"ref_smiles": "COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Nc3cccnc3F)cc3c2ncn3C)cc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "ef01f3d8-d742-4df1-8915-2901732c1e53",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=c1onc(-c2ccccc2)n1Cc1nc2ccccc2o1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=c1onc(-c2ccccc2)n1Cc1nc2ccccc2o1.",
"ref_smiles": "O=c1oncn1Cc1nc2ccccc2o1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "dda66cea-fcbb-4c6e-bf8f-ea95d0148948",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=O)c1cccc(C(=O)Oc2nc(OC(=O)c3ccccc3)ccc2Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)c1cccc(C(=O)Oc2nc(OC(=O)c3ccccc3)ccc2Cl)c1.",
"ref_smiles": "CC(=O)c1cccc(C(=O)Oc2nc(OC=O)ccc2Cl)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4f8c4b1a-1325-4c7c-bf94-e61991a7140d",
"task": "delete",
"question": "Please remove a amine from the molecule O=C([O-])CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21.",
"ref_smiles": "O=C([O-])CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(S(=O)(=O)c3ccccc3)ccc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4e08f052-550f-44fc-86e7-facaef313d81",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCc1nc(-c2cccc(CCS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Cc3ccc(N4CCOCC4)c(F)c3)n2)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(-c2cccc(CCS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Cc3ccc(N4CCOCC4)c(F)c3)n2)s1.",
"ref_smiles": "CCc1nc(-c2cccc(CC[SH](=O)=O)c2)c(-c2ccnc(Cc3ccc(N4CCOCC4)c(F)c3)n2)s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "661bf646-0431-4333-8858-147879697f05",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(CC)C(=O)N1CCCN(C(=O)Cc2ccc3nc(C)[nH]c3c2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(CC)C(=O)N1CCCN(C(=O)Cc2ccc3nc(C)[nH]c3c2)CC1.",
"ref_smiles": "CCC(CC)C(=O)N1CCC(c2ccc3nc(C)[nH]c3c2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e91c705d-9af6-47d4-a9a6-63e525a90d65",
"task": "delete",
"question": "Modify the molecule CC(c1ccc(C#CC(C)(C)C(=O)N(C)C)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(c1ccc(C#CC(C)(C)C(=O)N(C)C)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O",
"ref_smiles": "CC(c1ccc(C#CC(C)(C)C(=O)N(C)C)cc1)N1CCC(CC(C)(C))(c2ccccc2)OC1=O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "28f65edd-147a-4b9c-8f63-342412ad36bf",
"task": "delete",
"question": "Modify the molecule Cc1ccc(OCc2c(C)nn(C)c2NN)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(OCc2c(C)nn(C)c2NN)cc1",
"ref_smiles": "COCc1c(C)nn(C)c1NN",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9453236b-85cf-45bb-91c4-5e2c9c767268",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(=O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1.",
"ref_smiles": "CCC(=O)S(=O)(=O)NC(C(N)=O)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f98e0a1d-9359-41e4-89b5-90d4c820607a",
"task": "delete",
"question": "Modify the molecule CC1(C)CN(c2cncc(C(=O)[O-])n2)CC1(C)O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CN(c2cncc(C(=O)[O-])n2)CC1(C)O",
"ref_smiles": "CC1CN(c2cncc(C(=O)[O-])n2)CC1(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "bf1151e0-2911-46b8-a5cc-898c5693ca1f",
"task": "delete",
"question": "Modify the molecule CCSc1nnc(NC(=O)CSC(c2ccccc2)c2ccccc2)s1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCSc1nnc(NC(=O)CSC(c2ccccc2)c2ccccc2)s1",
"ref_smiles": "CCSc1nnc(NC(=O)CSCc2ccccc2)s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "03d4f041-4b61-4672-9792-cf086ade9bcf",
"task": "delete",
"question": "Modify the molecule CC1(C)CC(NC(=O)c2cc(F)ccc2N)CCO1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CC(NC(=O)c2cc(F)ccc2N)CCO1",
"ref_smiles": "CC1(C)CC(NC(=O)c2cccc(F)c2)CCO1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "126b2a64-8a77-4ed3-83b9-1ef52644ee3e",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)C(C)C)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)C(C)C)CC1",
"ref_smiles": "Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)C(C)C)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "03d7639e-1594-4baa-8c9c-b35eddfdc9b3",
"task": "delete",
"question": "Modify the molecule C=CCOC(=O)C(=[N+]=[N-])C(=O)C(C)C1NC(=O)C1C(C)O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCOC(=O)C(=[N+]=[N-])C(=O)C(C)C1NC(=O)C1C(C)O",
"ref_smiles": "C=CCOC(=O)C(=[N+]=[N-])C(=O)C(C)C1NC(=O)C1CC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5c698eb7-24ad-4572-8dc6-9adc01b21b9f",
"task": "delete",
"question": "Please remove a amide from the molecule CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O.",
"ref_smiles": "CCCn1ncn2nc(-c3cccs3)cc2c1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "7c077930-7fe3-47ba-8d22-6ab944a9a548",
"task": "delete",
"question": "Modify the molecule Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1",
"ref_smiles": "Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)N(C)C(=O)N3CCCC(C)C3)CC2)cccc1C(=O)N1CCCC(C)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "303fcc25-48f7-447f-b2da-7cae25d27efa",
"task": "delete",
"question": "Modify the molecule Clc1ccc(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Clc1ccc(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1",
"ref_smiles": "c1ccc(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "84853711-3cc5-4622-b8bb-bb11f865c12d",
"task": "delete",
"question": "Please remove a nitrile from the molecule CCC(C#N)N(CCC(=O)OC)CC1CCCO1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C#N)N(CCC(=O)OC)CC1CCCO1.",
"ref_smiles": "CCCN(CCC(=O)OC)CC1CCCO1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "84b51e9e-4026-414b-8c7b-dc7914af70c6",
"task": "delete",
"question": "Modify the molecule COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1cccc(C(=O)c3ccccc3)c1)c1nnc(C)n1-2 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1cccc(C(=O)c3ccccc3)c1)c1nnc(C)n1-2",
"ref_smiles": "COc1ccc2c(c1)C(c1ccccc1)=NC(CC(=O)Nc1cccc(C(=O)c3ccccc3)c1)c1nnc(C)n1-2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "50f8f478-75cf-407e-a980-184739ed34a2",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)N1CCn2c(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)c([O-])c2C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)N1CCn2c(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)c([O-])c2C1=O.",
"ref_smiles": "CC(C)c1([O-])c(=O)cc(C[NH+](Cc2ccccc2)Cc2ccccc2)n2CC21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "34e4590e-c19b-4d9d-9895-79fb12aeec08",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)C(C)C2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)C(C)C2)cc1.",
"ref_smiles": "COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)C(C)C2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "550a1038-90f2-448e-9fb3-13d1c1a9f6b7",
"task": "delete",
"question": "Modify the molecule c1ccc(N(c2ccccc2)c2ccc(C(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1ccc(N(c2ccccc2)c2ccc(C(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1",
"ref_smiles": "c1ccc(N(c2ccccc2)c2ccc(C(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4ccccn4)n3)cc2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ddfe0693-3b12-455b-8f5d-13bf1a63d686",
"task": "delete",
"question": "Please remove a halo from the molecule CC1CN(C(N)=[NH2+])CCN1c1ccc2[nH+]c(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CN(C(N)=[NH2+])CCN1c1ccc2[nH+]c(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.",
"ref_smiles": "CC1CN(C(N)=[NH2+])CCN1c1ccc2[nH+]c(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)cn2n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "309902a1-d31b-4251-9bd2-04cb9f0d2147",
"task": "delete",
"question": "Please remove a amide from the molecule Nc1c2c([nH+]c3cc(Cl)ccc13)CC1C=C(CCCCn3cc(CNC(=O)CCC(C(=O)NCCP(=O)([O-])[O-])[NH+]4CCC[NH+](CC(=O)NCCP(=O)([O-])[O-])CCN(C(=O)NCCP(=O)([O-])[O-])CCCN(CC(=O)NCCP(=O)([O-])[O-])CC4)nn3)CC2C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1c2c([nH+]c3cc(Cl)ccc13)CC1C=C(CCCCn3cc(CNC(=O)CCC(C(=O)NCCP(=O)([O-])[O-])[NH+]4CCC[NH+](CC(=O)NCCP(=O)([O-])[O-])CCN(C(=O)NCCP(=O)([O-])[O-])CCCN(CC(=O)NCCP(=O)([O-])[O-])CC4)nn3)CC2C1.",
"ref_smiles": "Nc1c2c([nH+]c3cc(Cl)ccc13)CC1C=C(CCCCn3cc(CNC(=O)CC(CCP(=O)([O-])[O-])[NH+]4CCC[NH+](CC(=O)NCCP(=O)([O-])[O-])CCN(C(=O)NCCP(=O)([O-])[O-])CCCN(CC(=O)NCCP(=O)([O-])[O-])CC4)nn3)CC2C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "8afa94b1-d125-497a-83dc-90992f35b108",
"task": "delete",
"question": "Modify the molecule COc1ccc(Cl)cc1NC(=O)C(C)Sc1nc2ccccc2s1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Cl)cc1NC(=O)C(C)Sc1nc2ccccc2s1",
"ref_smiles": "COc1ccc(Cl)cc1CSc1nc2ccccc2s1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ee888353-e1a8-4a67-bc22-1f049c230ce5",
"task": "delete",
"question": "Modify the molecule Cc1ccc(NC(=O)CCCCC[NH3+])cc1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)CCCCC[NH3+])cc1F",
"ref_smiles": "Cc1ccc(NC(=O)CCCCC[NH3+])cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b09fd037-80e2-4683-b48b-4ee1900421e4",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(=O)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(C)cc3)CC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(C)cc3)CC2)c1.",
"ref_smiles": "Cc1ccc(C(=O)CCC[NH+]2CCC(c3cccc(C)c3)CC2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5104cb9a-82b7-4375-a17a-dd01598a9c91",
"task": "delete",
"question": "Please remove a amine from the molecule COc1ccc(C(N)=O)cc1NC1CCOC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C(N)=O)cc1NC1CCOC1.",
"ref_smiles": "COc1ccc(C(N)=O)cc1C1CCOC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "854e1d69-605a-453b-88dd-84bdde99de7a",
"task": "delete",
"question": "Modify the molecule O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1nc2c(s1)CCC2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1nc2c(s1)CCC2",
"ref_smiles": "C1Cc2nc([NH+]3CCC4(CC3)OCCO4)sc2C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "57fb2492-d039-4c78-b615-e04b03330c3f",
"task": "delete",
"question": "Please remove a amine from the molecule CN=CC1=C([NH3+])CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN=CC1=C([NH3+])CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C1.",
"ref_smiles": "CN=CC1=C([NH3+])CCN(c2nccc(-c3cc4c(cn3)nc(C)n4C(C)C)n2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b0873e75-5087-4296-b48e-a0b11214a895",
"task": "delete",
"question": "Modify the molecule Cc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1",
"ref_smiles": "Cc1ccccc1C(=O)Nc1cccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e12eb5c3-3983-4e27-a958-041b8b02efb1",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(NC(=O)CCCN2C(=S)NC(C)(C)CC2C)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(NC(=O)CCCN2C(=S)NC(C)(C)CC2C)cc1",
"ref_smiles": "CCOc1ccc(NC(=O)CCCN2C(=S)C(C)(C)CC2C)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "57e6da3c-ff62-4b3c-a79d-7f16cd58a0b7",
"task": "delete",
"question": "Modify the molecule CCc1cccc(OCC(=O)NC2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cccc(OCC(=O)NC2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1",
"ref_smiles": "CCc1cccc(OC2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f0bc73bb-36ec-41fd-a0f4-9cb701f46ed8",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cccc(CNC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(CNC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)c1.",
"ref_smiles": "CCNC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c8952fcc-db2e-46e3-b767-030a19fc460e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOC(=O)c1c(N(C)CC(=O)c2ccccc2Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1c(N(C)CC(=O)c2ccccc2Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C.",
"ref_smiles": "CCOC(=O)c1c(N(C)CC(=O)Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "26b95239-6b70-4e48-a714-653de9c4a0f9",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1c(CN2C(=O)CC(C)C(C(=O)[O-])C2C)cnn1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(CN2C(=O)CC(C)C(C(=O)[O-])C2C)cnn1C.",
"ref_smiles": "Cc1c(C2C(C)C(C(=O)[O-])C2C)cnn1C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "307bb7a0-c5b1-4f30-abc1-1adf072f2f47",
"task": "delete",
"question": "Modify the molecule O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1",
"ref_smiles": "O=S(=O)(C12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a4647665-a4ab-4db6-ad22-e9e081d157b2",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(C)(C)CC(=CC(CC(=O)[O-])C(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(CC(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)(C)CC(=CC(CC(=O)[O-])C(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(CC(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(=O)[O-].",
"ref_smiles": "CCC(C)(C)CC(=CC(CC(=O)[O-])C(=O)NC[Si](OC)(OC)OC)C(CC(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "098557b7-1899-4680-9304-1987ab25f677",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ccccc1C1C[NH2+]CCN1Cc1cc(Br)c(OC)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1C1C[NH2+]CCN1Cc1cc(Br)c(OC)s1.",
"ref_smiles": "COc1ccc(CN2CC[NH2+]CC2c2ccccc2OC)s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3d8f6f47-085d-4b59-a642-545d90a1fcf9",
"task": "delete",
"question": "Modify the molecule COC(=O)CC1([NH2+]Cc2ccccc2)CCC(C(C)(C)C)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)CC1([NH2+]Cc2ccccc2)CCC(C(C)(C)C)CC1",
"ref_smiles": "C[NH2+]C1(CC(=O)OC)CCC(C(C)(C)C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "58212ebe-fd43-4cf2-8d06-3f84a6473b5a",
"task": "delete",
"question": "Please remove a amide from the molecule O=C1CC(=O)NC(C(=O)[O-])N1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CC(=O)NC(C(=O)[O-])N1.",
"ref_smiles": "O=C([O-])C1NC1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "afd76af1-d5a7-4150-9f02-9b07f636433b",
"task": "delete",
"question": "Modify the molecule Cc1cccc2c(=O)nc(C(Cl)=Cc3cccc(Cl)c3)[nH]c12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc2c(=O)nc(C(Cl)=Cc3cccc(Cl)c3)[nH]c12",
"ref_smiles": "Cc1cccc2c(=O)nc(C(Cl)=Cc3ccccc3)[nH]c12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0f0f03c5-06a3-4888-b1bb-e88fd88db8ec",
"task": "delete",
"question": "Modify the molecule CCc1cc(O)cc(C2(C[NH3+])CCCC2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cc(O)cc(C2(C[NH3+])CCCC2)c1",
"ref_smiles": "CC(O)C1(C[NH3+])CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c2bf610d-2e31-412b-81f8-5287585c9556",
"task": "delete",
"question": "Modify the molecule COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cccc(SC)c4)nc3s2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cccc(SC)c4)nc3s2)cc1",
"ref_smiles": "COc1nn2c(=O)cc(CNC(=O)Nc3cccc(SC)c3)nc2s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "90dd9d04-0ec7-4cf6-919d-d9d44117095d",
"task": "delete",
"question": "Modify the molecule CCCCCCNc1ccc(OC2CCCC2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCNc1ccc(OC2CCCC2)cc1",
"ref_smiles": "CCCCCCc1ccc(OC2CCCC2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "857082bb-8bc2-48ff-b108-3b8efa1f309e",
"task": "delete",
"question": "Modify the molecule COc1ccc(C)cc1NC(=O)C(C)OC(=O)COc1ccc(Cl)cc1Br by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C)cc1NC(=O)C(C)OC(=O)COc1ccc(Cl)cc1Br",
"ref_smiles": "COc1ccc(C)cc1COC(=O)COc1ccc(Cl)cc1Br",
"add_group": null,
"remove_group": "amide"
},
{
"id": "7177bdfa-0fac-4426-a863-a43bf537d3a2",
"task": "delete",
"question": "Modify the molecule Cc1scc(C[NH2+]C2CCNC2)c1C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1scc(C[NH2+]C2CCNC2)c1C",
"ref_smiles": "Cc1scc(C[NH2+]C2CCC2)c1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "5b902452-862d-4cc5-854e-43aa9d2c591f",
"task": "delete",
"question": "Please remove a amide from the molecule CNC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2.",
"ref_smiles": "COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b8223680-8bde-4b06-a612-b7d757d22954",
"task": "delete",
"question": "Modify the molecule CCc1nc(N)nc(C2(c3ccccc3)CC2)n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(N)nc(C2(c3ccccc3)CC2)n1",
"ref_smiles": "CCc1nc(N)nc(C2CC2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7eb6f092-0bf6-4fe1-b0a8-700c6c1edfc8",
"task": "delete",
"question": "Modify the molecule O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1",
"ref_smiles": "O=C(COC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3321b055-acfd-4f27-9997-854ce2242626",
"task": "delete",
"question": "Please remove a halo from the molecule CCc1cccc2c(I)c(SC)sc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cccc2c(I)c(SC)sc12.",
"ref_smiles": "CCc1cccc2cc(SC)sc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ec19ed75-c330-403e-8bf7-98ae763a8857",
"task": "delete",
"question": "Please remove a benzene ring from the molecule c1ccc(C[NH+]2CCC(Nc3ccccc3)C2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1ccc(C[NH+]2CCC(Nc3ccccc3)C2)cc1.",
"ref_smiles": "NC1CC[NH+](Cc2ccccc2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8d9b4d84-0a99-4875-945a-7968c876982d",
"task": "delete",
"question": "Modify the molecule CCCCCCNC(=O)C1CCC[NH+](Cc2nc(-c3ccc(C)c(F)c3)no2)C1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCNC(=O)C1CCC[NH+](Cc2nc(-c3ccc(C)c(F)c3)no2)C1",
"ref_smiles": "CCCCCCNC(=O)C1CCC[NH+](Cc2nc(-c3ccc(C)cc3)no2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e7452066-5e8f-43ce-a98b-d52beb67f52c",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cc(Cl)c(C(O)c2cccc(C)c2C)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(Cl)c(C(O)c2cccc(C)c2C)cc1C.",
"ref_smiles": "Cc1cc(Cl)c(Cc2cccc(C)c2C)cc1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "01c501fe-2236-4098-a4f6-4cba6d146887",
"task": "delete",
"question": "Please remove a amine from the molecule CCN(Cc1ccccc1OC)c1ccc(N)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(Cc1ccccc1OC)c1ccc(N)cc1.",
"ref_smiles": "CCN(Cc1ccccc1OC)c1ccccc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "143599a2-9f6c-44ce-9e52-641980684869",
"task": "delete",
"question": "Please remove a halo from the molecule C[NH+](C)CC1(CO)CCN(c2ncnc3cc(F)ccc23)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CC1(CO)CCN(c2ncnc3cc(F)ccc23)CC1.",
"ref_smiles": "C[NH+](C)CC1(CO)CCN(c2ncnc3ccccc23)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "df9f849a-ff39-450d-90fe-10e429587399",
"task": "delete",
"question": "Modify the molecule CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1cccc(Cl)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1cccc(Cl)c1",
"ref_smiles": "CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "899eab06-0b7d-4455-91cd-93bd9c0c3674",
"task": "delete",
"question": "Please remove a amide from the molecule N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(Cl)cc1)OCO3.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(Cl)cc1)OCO3.",
"ref_smiles": "N#Cc1cc2cc3c(cc2nc1Sc1ccc(Cl)cc1)OCO3",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3b3ebb8c-c5ae-4fba-bf8a-527d5525a405",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1.",
"ref_smiles": "CCC1C(=O)NCCN1S(=O)(=O)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "59a89abb-6c65-47af-be35-03c00834fab4",
"task": "delete",
"question": "Modify the molecule CCCCC(=O)N1CSCC1C(=O)N1CCC(C2OCCC2C(=O)[O-])CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCC(=O)N1CSCC1C(=O)N1CCC(C2OCCC2C(=O)[O-])CC1",
"ref_smiles": "CCC1CSCC1C(=O)N1CCC(C2OCCC2C(=O)[O-])CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "14751c10-6bed-4060-934a-42f62c00941e",
"task": "delete",
"question": "Modify the molecule CCC([NH3+])Cc1cc(C)ccc1OCCC(F)(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC([NH3+])Cc1cc(C)ccc1OCCC(F)(F)F",
"ref_smiles": "CCC([NH3+])Cc1cc(C)ccc1OCCC(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "032b8b9b-6129-4d22-9336-3ac445137841",
"task": "delete",
"question": "Please remove a amide from the molecule C[NH+]=C(NCCC[NH+]1CCCC(C(N)=O)C1)NCC1(CCOC)CCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]=C(NCCC[NH+]1CCCC(C(N)=O)C1)NCC1(CCOC)CCC1.",
"ref_smiles": "C[NH+]=C(NCCC[NH+]1CCCC1)NCC1(CCOC)CCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4e3238d3-04a9-46f3-a699-b5e598cc1efc",
"task": "delete",
"question": "Please remove a halo from the molecule C=C(C)C[NH2+]CC(O)c1cccc(C(F)(F)F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C)C[NH2+]CC(O)c1cccc(C(F)(F)F)c1.",
"ref_smiles": "C=C(C)C[NH2+]CC(O)c1cccc(C(F)F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a57ba3ca-1c19-4a0f-bbee-01f7fe10600a",
"task": "delete",
"question": "Please remove a amide from the molecule COC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1Br.",
"ref_smiles": "COC(=O)COc1ccc(C=C2SC(=O)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br",
"add_group": null,
"remove_group": "amide"
},
{
"id": "66432e76-2597-4e07-82cb-84899c5d2c42",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(C)N1C(=O)SC(=Cc2cc3c(cc2Cl)N(CC)C(C)(C)C=C3C)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)N1C(=O)SC(=Cc2cc3c(cc2Cl)N(CC)C(C)(C)C=C3C)C1=O.",
"ref_smiles": "CCN1c2cc(Cl)c(CC(C)(CC)C(=O)S)cc2C(C)=CC1(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "de13e7ba-425c-4e35-a55a-92728d2ad4d4",
"task": "delete",
"question": "Modify the molecule O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCC1CCCCCCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCC1CCCCCCC1",
"ref_smiles": "O=C(CC1C(=O)C2CCC1O2)NCC1CCCCCCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1f79ab87-2f9c-446b-8cbf-fbfb58c536ea",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1ccccc1C(=O)C=Cc1ncc[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccccc1C(=O)C=Cc1ncc[nH]1.",
"ref_smiles": "CCOC(=O)C=Cc1ncc[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "43c0e17d-39eb-45ca-add2-d604a8787982",
"task": "delete",
"question": "Modify the molecule Cc1ccc(S(=O)(=O)NC(CC(=O)[O-])C(=O)[O-])cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)NC(CC(=O)[O-])C(=O)[O-])cc1",
"ref_smiles": "CS(=O)(=O)NC(CC(=O)[O-])C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fc1902f2-d70d-4a77-8ace-b72309029b42",
"task": "delete",
"question": "Modify the molecule COC(=O)c1ccccc1-c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1ccccc1-c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2",
"ref_smiles": "COC(=O)c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "85d9de2a-5ba7-43f7-a327-64df78dbfc31",
"task": "delete",
"question": "Modify the molecule CC1Cc2ccccc2N1c1ccc(C#N)cn1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1Cc2ccccc2N1c1ccc(C#N)cn1",
"ref_smiles": "CC1Cc2ccccc2N1c1ccccn1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "4d5eb7a5-dc06-4d41-982a-8a496e65e821",
"task": "delete",
"question": "Modify the molecule Cc1cc(NCCC(C)S(C)=O)nc(C(C)C)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(NCCC(C)S(C)=O)nc(C(C)C)n1",
"ref_smiles": "Cc1cc(CCC(C)S(C)=O)nc(C(C)C)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4807877d-41a0-4bc7-bb73-3718ed6e6591",
"task": "delete",
"question": "Modify the molecule CC1CCC(C(=O)N(CC(=O)[O-])c2ccc(O)cc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCC(C(=O)N(CC(=O)[O-])c2ccc(O)cc2)CC1",
"ref_smiles": "CC1CCC(C(=O)N(O)CC(=O)[O-])CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fe932939-3eac-4797-91b8-a566b051c358",
"task": "delete",
"question": "Modify the molecule CC(C)S(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)S(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2",
"ref_smiles": "CC(C)S(=O)(=O)NCCOc1ccc2c(c1)C(C1(Cl)CCC1)=NCC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1295b694-34ab-43af-8c35-2fb632a15a3f",
"task": "delete",
"question": "Modify the molecule COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)C(Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)C(Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1",
"ref_smiles": "COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "557fb45c-4cca-4b3d-b6e2-c4ac53712697",
"task": "delete",
"question": "Modify the molecule CC(C)(C)C(=O)c1ccc(F)c(F)c1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C(=O)c1ccc(F)c(F)c1F",
"ref_smiles": "CC(C)(C)C(=O)c1ccc(F)c(F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7efef1ee-0cf3-4864-9d8f-06cd1b71154a",
"task": "delete",
"question": "Modify the molecule CCCCc1noc(CSc2nc3c(cc2C#N)CCCC3)n1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCc1noc(CSc2nc3c(cc2C#N)CCCC3)n1",
"ref_smiles": "CCCCc1noc(CSc2ccc3c(n2)CCCC3)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "c33d9156-de50-40a9-ae94-765670540669",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(NCC(c1ccc(Cl)cc1)n1ccnc1)C(F)(F)C(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCC(c1ccc(Cl)cc1)n1ccnc1)C(F)(F)C(F)F.",
"ref_smiles": "O=C(NCC(Cl)n1ccnc1)C(F)(F)C(F)F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9d426fbe-c55f-47a5-bca3-b95b801f6fad",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C(C)(C)CNCC(C#N)C(C)C)cc1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(C)(C)CNCC(C#N)C(C)C)cc1",
"ref_smiles": "Cc1ccc(C(C)(C)CNCCC(C)C)cc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "d11615b7-4f7b-4e48-a9e5-30170a26c124",
"task": "delete",
"question": "Please remove a amine from the molecule Nc1cccc2c1c(N)nc1ccccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1cccc2c1c(N)nc1ccccc12.",
"ref_smiles": "Nc1nc2ccccc2c2ccccc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1b3f93e8-14d0-439f-acae-f14867fd81da",
"task": "delete",
"question": "Modify the molecule CCc1nc(SCC(=O)c2cccc(OC)c2)n(C)c(=O)c1Cc1cccc(C)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(SCC(=O)c2cccc(OC)c2)n(C)c(=O)c1Cc1cccc(C)c1",
"ref_smiles": "CCc1nc(SCC(=O)OC)n(C)c(=O)c1Cc1cccc(C)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e865b012-088b-423e-82ad-56fa914aae99",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)(CCCCC(c1ccccc1Cl)[NH+]1CCCc2sccc2C1)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(CCCCC(c1ccccc1Cl)[NH+]1CCCc2sccc2C1)C(=O)[O-].",
"ref_smiles": "CC(C)(CCCCC(c1ccccc1)[NH+]1CCCc2sccc2C1)C(=O)[O-]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c98212b2-ef3f-46d1-82d3-02e42427acae",
"task": "delete",
"question": "Please remove a halo from the molecule NC1=[NH+]c2[nH]ncc2C([NH3+])N1C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC1=[NH+]c2[nH]ncc2C([NH3+])N1C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1.",
"ref_smiles": "NC1=[NH+]c2[nH]ncc2C([NH3+])N1C1Cc2ccccc2N(S(=O)(=O)c2ccccc2C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b09cf93d-8ea7-430b-8020-0ea25b9299e2",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccn2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccn2)c1.",
"ref_smiles": "NN(C(=O)c1ccccn1)N1CCOCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "5dedce51-484b-43ba-87ee-b309c8b5f142",
"task": "delete",
"question": "Please remove a amine from the molecule CCOC(=O)C(CCCCC(=O)[O-])=NNc1ncn[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C(CCCCC(=O)[O-])=NNc1ncn[nH]1.",
"ref_smiles": "CCOC(=O)C(CCCCC(=O)[O-])=Nc1ncn[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e7891e80-dfa7-4d79-88b3-fbcf1594f267",
"task": "delete",
"question": "Modify the molecule CC1OCCC1NC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1OCCC1NC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F",
"ref_smiles": "CC1OCCC1NC(=O)N1CCCC1c1ccccc1C(F)(F)F",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "407840ef-81ff-4e6c-bea2-dc326a66dc36",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1cc(C)c(NC(=S)NCCC[NH+](C)C)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(NC(=S)NCCC[NH+](C)C)c(C)c1.",
"ref_smiles": "Cc1cc(C)c(C(=S)NCCC[NH+](C)C)c(C)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "344d857b-0f14-4682-b7fc-8ed78ae878e3",
"task": "delete",
"question": "Please remove a halo from the molecule COCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1.",
"ref_smiles": "COCC(=O)N1CCC(CNC(=O)C(F)F)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c3c9f70d-79b3-4c6f-b1c1-9f988d134f67",
"task": "delete",
"question": "Modify the molecule Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2cnccn2)c1-c1ccccc1Cl by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2cnccn2)c1-c1ccccc1Cl",
"ref_smiles": "Cc1c(C(=O)NS(C)(=O)=O)cn(Cc2cnccn2)c1-c1ccccc1Cl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3b4a76a1-ded7-474d-b493-e0087f5767b9",
"task": "delete",
"question": "Modify the molecule NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-] by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]",
"ref_smiles": "NC(=O)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b4771fe0-c518-4e62-8fab-2bfa3a073e67",
"task": "delete",
"question": "Please remove a halo from the molecule CCCCN(C(=O)Cc1ccc(C(N)=O)cc1)c1c(N)[nH]c(=O)n(Cc2ccccc2F)c1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCN(C(=O)Cc1ccc(C(N)=O)cc1)c1c(N)[nH]c(=O)n(Cc2ccccc2F)c1=O.",
"ref_smiles": "CCCCN(C(=O)Cc1ccc(C(N)=O)cc1)c1c(N)[nH]c(=O)n(Cc2ccccc2)c1=O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4cfd55ec-c884-4307-b4dc-c83f18471262",
"task": "delete",
"question": "Modify the molecule CC(Cc1ccco1)[NH2+]C(C(=O)[O-])c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(Cc1ccco1)[NH2+]C(C(=O)[O-])c1ccccc1",
"ref_smiles": "CC(Cc1ccco1)[NH2+]CC(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a75b7c4f-c213-444a-8995-c4f982079de4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1.",
"ref_smiles": "Cc1ccc(C(=O)NF)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "5baf7d9b-4bb8-47a5-8f7c-d3363e25a26f",
"task": "delete",
"question": "Please remove a nitrile from the molecule N#CC(N1CCCC(c2ccnc3[nH]nc4nccc-4c23)C1)S(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CC(N1CCCC(c2ccnc3[nH]nc4nccc-4c23)C1)S(=O)[O-].",
"ref_smiles": "O=S([O-])CN1CCCC(c2ccnc3[nH]nc4nccc-4c23)C1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "c1f66cb1-6c2c-4572-b963-b7ada709927e",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccc(CN(Cc2ccco2)C(=O)CCC(=O)c2ccc(C)s2)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CN(Cc2ccco2)C(=O)CCC(=O)c2ccc(C)s2)s1.",
"ref_smiles": "Cc1ccc(C(=O)CC(Cc2ccco2)c2ccc(C)s2)s1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b852dd6b-1f48-4492-b8fd-cc22390a1fca",
"task": "delete",
"question": "Please remove a halo from the molecule Cn1nc(C2CC2)c2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1nc(C2CC2)c2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc21.",
"ref_smiles": "Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4d5eaef3-fdbb-4a48-9e4b-a910d30688e6",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC[NH+]1CCc2c(c(CN(C3CC3)S(=O)(=O)c3ccccc3C#N)nn2-c2cccc(F)c2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+]1CCc2c(c(CN(C3CC3)S(=O)(=O)c3ccccc3C#N)nn2-c2cccc(F)c2)C1.",
"ref_smiles": "CC[NH+]1CCc2c(c(CN(C3CC3)S(=O)(=O)C#N)nn2-c2cccc(F)c2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fa5ac802-d429-44be-bd6b-3b10928310f6",
"task": "delete",
"question": "Modify the molecule N#CC(=CNc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CC(=CNc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1",
"ref_smiles": "N#CC(=Cc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0de9a48c-e35b-476d-ab86-3b80bf7c772a",
"task": "delete",
"question": "Please remove a halo from the molecule C=CC(C)Oc1ccc(Br)c(CC([NH3+])CC)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC(C)Oc1ccc(Br)c(CC([NH3+])CC)c1.",
"ref_smiles": "C=CC(C)Oc1cccc(CC([NH3+])CC)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "74a0d175-4a1b-4bd9-8656-4bf3521c3339",
"task": "delete",
"question": "Modify the molecule O=C(C=Cc1ccccc1Br)NCCc1ccc(-n2cccn2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C=Cc1ccccc1Br)NCCc1ccc(-n2cccn2)cc1",
"ref_smiles": "O=C(C=Cc1ccccc1Br)NCCn1cccn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c94dcde3-ca95-41be-a677-479936f66bd0",
"task": "delete",
"question": "Modify the molecule CCCOc1ccc(-c2cc(CC(=O)[O-])c(CC)s2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCOc1ccc(-c2cc(CC(=O)[O-])c(CC)s2)cc1",
"ref_smiles": "CCCOc1cc(CC(=O)[O-])c(CC)s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "85688f36-297f-48ae-9040-775c3855d6d8",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(CC2)C1COO.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(CC2)C1COO.",
"ref_smiles": "CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(CC2)C1CO",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "2a61ba54-1da4-4624-8bae-3ac5acd3713f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CSc1ccc(C=CC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSc1ccc(C=CC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1.",
"ref_smiles": "CSC=CC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f37e57da-3fe7-4e10-9f5d-9fc7ba110f3f",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(C[NH+]1CC2CCCCC2C1)NC(=O)Nc1ccc2c(c1)OCCO2.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C[NH+]1CC2CCCCC2C1)NC(=O)Nc1ccc2c(c1)OCCO2.",
"ref_smiles": "O=C([NH+]1CC2CCCCC2C1)Nc1ccc2c(c1)OCCO2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "520727b6-4326-4b18-9c4b-12aceb3a7ea3",
"task": "delete",
"question": "Please remove a nitrile from the molecule CC(C)(C)C1=CCN(c2nccc(C#N)n2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C1=CCN(c2nccc(C#N)n2)CC1.",
"ref_smiles": "CC(C)(C)C1=CCN(c2ncccn2)CC1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "19f2edb1-710d-457e-ad61-526ee6fed789",
"task": "delete",
"question": "Please remove a amide from the molecule CCCCCC(C)NC(=O)C1COc2ccccc2C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCC(C)NC(=O)C1COc2ccccc2C1.",
"ref_smiles": "CCCCCC(C)C1Cc2ccccc2O1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "7d003728-30c5-403c-befd-17668b6c881e",
"task": "delete",
"question": "Modify the molecule CN(Cc1csc(Br)c1)C(C)(C[NH3+])CC1CCC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1csc(Br)c1)C(C)(C[NH3+])CC1CCC1",
"ref_smiles": "CN(Cc1ccsc1)C(C)(C[NH3+])CC1CCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e81f5e40-ce6f-48a4-ad35-83e5dac1a301",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCC(C)(C)C(=O)OC1C2CC3(O)CC(O)(C2)CC1(O)C3.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)(C)C(=O)OC1C2CC3(O)CC(O)(C2)CC1(O)C3.",
"ref_smiles": "CCC(C)(C)C(=O)OC1C2CC3CC(O)(C2)CC1(O)C3",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5a89f2c7-2a35-4a24-9624-ff3419c6e340",
"task": "delete",
"question": "Modify the molecule CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O",
"ref_smiles": "CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(COC2OC(COC3OC(CO)C(O)CC3O)C(O)C(O)C2O)C(O)C1O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "f796290b-f149-4f4c-a60f-7cc1df8322c3",
"task": "delete",
"question": "Please remove a halo from the molecule CC1CC=C(Cl)c2c([nH]c[n+]2C)-c2cc(Cl)ccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC=C(Cl)c2c([nH]c[n+]2C)-c2cc(Cl)ccc21.",
"ref_smiles": "CC1CC=Cc2c([nH]c[n+]2C)-c2cc(Cl)ccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "27ad03bc-5369-467d-89b9-c2aeb9c0f666",
"task": "delete",
"question": "Modify the molecule Cc1ccc(S(=O)(=O)NCCC=Cc2ccccc2)s1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)NCCC=Cc2ccccc2)s1",
"ref_smiles": "C=CCCNS(=O)(=O)c1ccc(C)s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "44349f4b-6d5e-4851-99e0-69c64fde15d5",
"task": "delete",
"question": "Modify the molecule CCc1ccc(OCC(=O)Nc2cccc(C[NH3+])c2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(OCC(=O)Nc2cccc(C[NH3+])c2)cc1",
"ref_smiles": "CCc1ccc(OCC(=O)NC[NH3+])cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ac826efd-af33-41e0-b398-f28d2d55bd31",
"task": "delete",
"question": "Modify the molecule O=C1Nc2ccccc2C1(O)C1=C[NH2+]C2C=CC=CC12 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1Nc2ccccc2C1(O)C1=C[NH2+]C2C=CC=CC12",
"ref_smiles": "O=C1Nc2ccccc2C1C1=C[NH2+]C2C=CC=CC12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "d0c13306-5c5d-4fc1-8fa7-ea3749ec6b4f",
"task": "delete",
"question": "Please remove a halo from the molecule CNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.",
"ref_smiles": "CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b95d3039-1401-4e14-92cd-9de1a11723f4",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)CC(C)OCCC(=O)NCC(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CC(C)OCCC(=O)NCC(=O)[O-].",
"ref_smiles": "CC(C)CC(C)OCCC(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d55ec0b5-18ea-4df3-95b9-8b12a9463de4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CS(=O)(=O)c1ccccc1NC(=O)NC1CC[NH+]2CCCCC12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CS(=O)(=O)c1ccccc1NC(=O)NC1CC[NH+]2CCCCC12.",
"ref_smiles": "CS(=O)(=O)NC(=O)NC1CC[NH+]2CCCCC12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "52a668bb-8c6a-4184-bf32-466ae9b5d54d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)[O-])cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)[O-])cc1.",
"ref_smiles": "CSc1ccc(C(Cc2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)C(=O)[O-])cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0e894d55-40b0-4b16-9c4e-d11b4d572bd5",
"task": "delete",
"question": "Please remove a amine from the molecule CN(CC(O)c1ccc(O)c(O)c1)C(=S)Nc1cccc(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(CC(O)c1ccc(O)c(O)c1)C(=S)Nc1cccc(Cl)c1.",
"ref_smiles": "CN(CC(O)c1ccc(O)c(O)c1)C(=S)c1cccc(Cl)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "46098838-4de5-48fb-8675-09b8bfcb34c3",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C([NH3+])CC2CCC2)c(C)cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C([NH3+])CC2CCC2)c(C)cc1Cl.",
"ref_smiles": "CC([NH3+])(CCl)CC1CCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "dbda8333-b1e6-45aa-a611-78ce8aa685f2",
"task": "delete",
"question": "Please remove a nitro from the molecule Cc1cc(Oc2c(C(=O)[O-])cccc2[N+](=O)[O-])ccc1Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(Oc2c(C(=O)[O-])cccc2[N+](=O)[O-])ccc1Br.",
"ref_smiles": "Cc1cc(Oc2c(C(=O)[O-])cccc2)ccc1Br",
"add_group": null,
"remove_group": "nitro"
},
{
"id": "c5dfc2f3-4bcc-430a-9322-d745556d5a6a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC[NH2+]C(CSc1nc(C)cc(C)n1)c1cccc(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH2+]C(CSc1nc(C)cc(C)n1)c1cccc(C)c1.",
"ref_smiles": "CC[NH2+]C(C)CSc1nc(C)cc(C)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "77cca8d2-4112-43bf-a5c0-524f86ece769",
"task": "delete",
"question": "Please remove a amide from the molecule COC1C(n2cnc3c(=O)nc(NC(=O)C(C)C)[nH]c32)OC2([SiH2]C2OC(C)(C)C)C1OC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC1C(n2cnc3c(=O)nc(NC(=O)C(C)C)[nH]c32)OC2([SiH2]C2OC(C)(C)C)C1OC(C)(C)C.",
"ref_smiles": "COC1C(n2cnc3c(=O)nc[nH]c32)OC2([SiH2]C2OC(C)(C)C)C1OC(C)(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e8c95e46-e24d-4444-a454-d303fca0185f",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CSCCC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CSCCC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-].",
"ref_smiles": "CSCCC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(C))C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "770d5ced-deab-4188-b35d-50bb5233d5f5",
"task": "delete",
"question": "Modify the molecule COC(=O)C(Cc1cccc(C(N)[NH3+])c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(Cc1cccc(C(N)[NH3+])c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1",
"ref_smiles": "COC(=O)C(CC(N)[NH3+])NC(=O)CNS(=O)(=O)c1ccc(C)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e0adcf6c-ff25-4112-b8be-e00b1ece2824",
"task": "delete",
"question": "Please remove a amine from the molecule C=C(C)CNc1sc(C(=O)OCC)c(N)c1OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C)CNc1sc(C(=O)OCC)c(N)c1OC.",
"ref_smiles": "C=C(C)CNc1sc(C(=O)OCC)cc1OC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "bde95f45-5c4a-4c9e-8fb2-5bb38d4af156",
"task": "delete",
"question": "Please remove a amine from the molecule CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O.",
"ref_smiles": "CCCCCn1nc(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "72e6f507-f088-4750-a7e9-9a6b55584304",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1.",
"ref_smiles": "C[NH+](C)Cc1ccc(Cl)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2347e6f1-8e8e-4f51-a812-d8b1dbdc5950",
"task": "delete",
"question": "Please remove a halo from the molecule Nc1ccc(F)c(S(=O)(=O)NCc2ccc(Br)cc2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc(F)c(S(=O)(=O)NCc2ccc(Br)cc2)c1.",
"ref_smiles": "Nc1cccc(S(=O)(=O)NCc2ccc(Br)cc2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "89a86e22-90d9-4c3a-889b-e83eeb99eebb",
"task": "delete",
"question": "Please remove a amine from the molecule CC(C#N)NC(C)c1ccc(Br)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C#N)NC(C)c1ccc(Br)cc1.",
"ref_smiles": "CC(C#N)C(C)c1ccc(Br)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "c2687a05-f2fa-4190-baca-f5aaccd58cc3",
"task": "delete",
"question": "Please remove a amine from the molecule C[NH+]=C(NCC(C)Cn1nc(C)cc1C)N1CC(C)(C)C1(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]=C(NCC(C)Cn1nc(C)cc1C)N1CC(C)(C)C1(C)C.",
"ref_smiles": "C[NH+]=C(CC(C)Cn1nc(C)cc1C)N1CC(C)(C)C1(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "50f0bbd9-1461-45b3-885d-172c8dba5534",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)cc1",
"ref_smiles": "CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccccc32)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "87ff0adb-dc71-486d-a789-9fba69c664bd",
"task": "delete",
"question": "Modify the molecule Cc1cc(C2CCC[NH2+]C2)cc(Br)c1OCc1ccccc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C2CCC[NH2+]C2)cc(Br)c1OCc1ccccc1",
"ref_smiles": "Cc1cc(C2CCC[NH2+]C2)ccc1OCc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4f010653-7d7f-4a20-b746-c795bd79d6bd",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C.",
"ref_smiles": "CON(C(=O)NCC[NH+](C)C)[N+](=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8ee0bfcb-e350-4d8b-a814-067dcdb43fea",
"task": "delete",
"question": "Please remove a halo from the molecule CCOc1cccc(CNC(=O)C(C)Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1cccc(CNC(=O)C(C)Cl)c1.",
"ref_smiles": "CCOc1cccc(CNC(=O)CC)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d091f85c-a924-4579-ad27-19c82af1cb2a",
"task": "delete",
"question": "Please remove a halo from the molecule O=C([O-])c1cc(-c2ccc(N3CCCC3)c(Cl)c2)on1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])c1cc(-c2ccc(N3CCCC3)c(Cl)c2)on1.",
"ref_smiles": "O=C([O-])c1cc(-c2ccc(N3CCCC3)cc2)on1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "16581b29-2efa-449d-88e1-72b806a08818",
"task": "delete",
"question": "Please remove a amine from the molecule C[NH+]1CCC(CCNc2nc3ccccc3o2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1CCC(CCNc2nc3ccccc3o2)CC1.",
"ref_smiles": "C[NH+]1CCC(CCc2nc3ccccc3o2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "db80b0f5-6d6e-449f-a69b-0efca39358b2",
"task": "delete",
"question": "Modify the molecule O=C(Cc1c[nH]c(Sc2ccccc2)c1)C(=O)c1nn[n-]n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Cc1c[nH]c(Sc2ccccc2)c1)C(=O)c1nn[n-]n1",
"ref_smiles": "O=C(Cc1c[nH]c(S)c1)C(=O)c1nn[n-]n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b7b9b15e-2e8b-475e-978a-6f60373aedc1",
"task": "delete",
"question": "Modify the molecule Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1",
"ref_smiles": "Cc1[nH]c2ccccc2c1OC1CCN(S(=O)(=O)N(C)C2CCCCC2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f268f4b0-5892-4ffb-a479-3737b461cfe8",
"task": "delete",
"question": "Please remove a nitrile from the molecule Cc1cc(NCCOCCC(C)C)ccc1C#N.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(NCCOCCC(C)C)ccc1C#N.",
"ref_smiles": "Cc1cccc(NCCOCCC(C)C)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "7e03bf84-8e17-46d8-8e5b-a32f6df9a381",
"task": "delete",
"question": "Please remove a halo from the molecule CCC[NH2+]CC(C)(C)CN(CC)c1cccc(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]CC(C)(C)CN(CC)c1cccc(F)c1.",
"ref_smiles": "CCC[NH2+]CC(C)(C)CN(CC)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ae4223fe-35fb-4c72-bc46-e8bbb603b7a8",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cnc(C(=O)NNc2ccccc2)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cnc(C(=O)NNc2ccccc2)cn1.",
"ref_smiles": "Cc1cnc(C(=O)NN)cn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "99011eb0-caa8-47e4-a53e-3714680d68c0",
"task": "delete",
"question": "Please remove a halo from the molecule Brc1cccc2c1-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cccc(Br)c32)c2ccccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "Brc1cccc2c1-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cccc(Br)c32)c2ccccc21.",
"ref_smiles": "Brc1cccc2c1C1(c3ccccc3-2)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b9f5970d-9516-4c97-bf93-1ca3004b5eef",
"task": "delete",
"question": "Modify the molecule CCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-]",
"ref_smiles": "CCCCCNC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)[O-]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "64ce5b71-a27b-4c7e-8103-36835757cffe",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH2+]C(C)c1ccccc1N1C(=O)CC(C)(C)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(C)c1ccccc1N1C(=O)CC(C)(C)C1=O.",
"ref_smiles": "C[NH2+]C(C)N1C(=O)CC(C)(C)C1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9c49969e-f125-4bed-8be5-7c7383f721e2",
"task": "delete",
"question": "Modify the molecule CCC1(C(=O)[O-])CCC[NH+]1Cc1nnsc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(C(=O)[O-])CCC[NH+]1Cc1nnsc1Cl",
"ref_smiles": "CCC1(C(=O)[O-])CCC[NH+]1Cc1csnn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d27c2bdd-c4e5-4711-b4c3-4552857dd8da",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)Cc1cc(C(F)F)nc(F)c1[N+](=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)Cc1cc(C(F)F)nc(F)c1[N+](=O)[O-].",
"ref_smiles": "COC(=O)Cc1cc(C(F)F)ncc1[N+](=O)[O-]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a76700f1-32d5-44f9-92a7-6ae9cb904090",
"task": "delete",
"question": "Modify the molecule NC(=O)C1CCN(C(=O)CCc2cc(Cl)cs2)CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)C1CCN(C(=O)CCc2cc(Cl)cs2)CC1",
"ref_smiles": "NC(=O)C1CCC(c2cc(Cl)cs2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3825467a-3a9c-4fbe-9074-a600bfa3470b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCNC(NCCc1ccc2c(c1)CCO2)=[NH+]Cc1ccccc1OC(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NCCc1ccc2c(c1)CCO2)=[NH+]Cc1ccccc1OC(F)F.",
"ref_smiles": "CCNC(NCCc1ccc2c(c1)CCO2)=[NH+]COC(F)F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "eefcf130-cda9-427e-bc7c-fef612705340",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(c1n[nH]c(C2CC2)c1Cl)N1CCc2n[nH]c(=O)cc2C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1n[nH]c(C2CC2)c1Cl)N1CCc2n[nH]c(=O)cc2C1.",
"ref_smiles": "O=c1cc2c(n[nH]1)CC(n1[nH]c(C3CC3)c-1Cl)C2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4fc31af1-f0ee-4fdf-8de2-0c4cc8aeba9a",
"task": "delete",
"question": "Please remove a amide from the molecule CCC1CCC([NH+](CC(N)=O)Cc2ccccc2N)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CCC([NH+](CC(N)=O)Cc2ccccc2N)CC1.",
"ref_smiles": "CCC1CCC([NH+]Cc2ccccc2N)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "32610b74-9ac4-45fd-b775-8db72834a428",
"task": "delete",
"question": "Modify the molecule O=C(C=Cc1cccc(Cl)c1)OCc1cc(=O)oc2ccc3ccccc3c12 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C=Cc1cccc(Cl)c1)OCc1cc(=O)oc2ccc3ccccc3c12",
"ref_smiles": "O=C(C=CCl)OCc1cc(=O)oc2ccc3ccccc3c12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a940f77a-9f61-4f65-8def-9737a5ceac17",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.",
"ref_smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)OC(C)(C)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2554b518-a806-45ff-87af-05b0efbe88a1",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CNc1snc(C)c1C(=O)NC(C)CC(O)c1ccc(F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNc1snc(C)c1C(=O)NC(C)CC(O)c1ccc(F)cc1.",
"ref_smiles": "CNc1snc(C)c1C(=O)NC(C)CCc1ccc(F)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "78d9e6c9-7dd9-4c27-8cc6-31cdbd69cddb",
"task": "delete",
"question": "Please remove a amine from the molecule CCOc1ccccc1NC(=S)NC(=O)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccccc1NC(=S)NC(=O)C(C)C.",
"ref_smiles": "CCOc1ccccc1C(=S)NC(=O)C(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6b245b2f-e248-4a0a-8adc-a85a9aa14d82",
"task": "delete",
"question": "Please remove a halo from the molecule CC12OC(=O)C1(C(O)C1C=CCCC1)[NH2+]C=CC2CCCl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC12OC(=O)C1(C(O)C1C=CCCC1)[NH2+]C=CC2CCCl.",
"ref_smiles": "CCC1C=C[NH2+]C2(C(O)C3C=CCCC3)C(=O)OC12C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1b625c6b-fb25-4ef4-98b3-6b10a7586c53",
"task": "delete",
"question": "Modify the molecule CC1(C)CN(Cc2cccc(-c3ccccn3)c2)CC[NH2+]1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CN(Cc2cccc(-c3ccccn3)c2)CC[NH2+]1",
"ref_smiles": "CC1(C)CN(Cc2ccccn2)CC[NH2+]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b56faec3-e07a-4a17-8104-3e5c7613bca3",
"task": "delete",
"question": "Modify the molecule Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C3C[NH2+]C3)CC2)cc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C3C[NH2+]C3)CC2)cc1",
"ref_smiles": "Cc1ccc(S(=O)(=O)N2CCC(C3(C)C[NH2+]C3)CC2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6ac05e84-8966-47fe-8091-cb04cc7e8578",
"task": "delete",
"question": "Modify the molecule O=C1CCc2c(Cl)cc(O)c(F)c21 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CCc2c(Cl)cc(O)c(F)c21",
"ref_smiles": "O=C1CCc2c(Cl)ccc(F)c21",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "0f5bf8a4-a79c-4486-a06d-307ed20d1052",
"task": "delete",
"question": "Modify the molecule C[NH+]1C2CCC1CC(C[NH+]=C(N)[NH+]=C(N)N)C2 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]1C2CCC1CC(C[NH+]=C(N)[NH+]=C(N)N)C2",
"ref_smiles": "C[NH+]1C2CCC1CC(C[NH+]=C[NH+]=C(N)N)C2",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a25579a8-a0fc-43de-94ea-218d92c2a987",
"task": "delete",
"question": "Modify the molecule Cc1nn2cc(CNC(=O)CC(C)(C)C)[nH+]c2s1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nn2cc(CNC(=O)CC(C)(C)C)[nH+]c2s1",
"ref_smiles": "Cc1nn2cc(CC(C)(C)C)[nH+]c2s1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b0e52771-c327-451f-94a3-d854ac2f43e0",
"task": "delete",
"question": "Modify the molecule CC(C)(C)C#CC=CCC(Cc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1)C(=O)[O-] by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C#CC=CCC(Cc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1)C(=O)[O-]",
"ref_smiles": "CC(C)(C)C#CC=CCC(Cc1cccc(C=Cc2ccsc2)c1)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d2f297d1-bf5b-495b-a6a8-2174274a449f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C)cc(NC(=S)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)cc(NC(=S)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1.",
"ref_smiles": "CCNC(=S)N(Cc1cccs1)C1CCS(=O)(=O)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6e8e50ad-2128-44c1-893b-106c06c894e5",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccccc2F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccccc2F)c1.",
"ref_smiles": "CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccccc2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "128d037d-cc78-41ef-af5d-31f96d4fa299",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cccc(NCC(NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)C(=O)N2CCC(C)CC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(NCC(NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)C(=O)N2CCC(C)CC2)c1.",
"ref_smiles": "CNCC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N1CCC(C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "495be2a0-52bb-4cc1-b9c7-db0ac8f00065",
"task": "delete",
"question": "Modify the molecule COC(=O)c1cn(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc12 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1cn(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc12",
"ref_smiles": "COC(=O)c1cn(C2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc12",
"add_group": null,
"remove_group": "amide"
},
{
"id": "219bcfe8-c044-46ac-ace2-322e47bf5a1f",
"task": "delete",
"question": "Modify the molecule CC(C)CCCCCCCOP(O)OCCCCCCCC(C)C by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CCCCCCCOP(O)OCCCCCCCC(C)C",
"ref_smiles": "CC(C)CCCCCCCOPOCCCCCCCC(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "f83f60a6-44b1-4df9-a8b5-6ebca9565815",
"task": "delete",
"question": "Modify the molecule CCCCCCN(CCCCCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCN(CCCCCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1",
"ref_smiles": "CCCCCCN(CCCCCC)Nc1c2ccccc2nc2ccccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7a498fea-e725-4034-acb3-30687712f95e",
"task": "delete",
"question": "Modify the molecule CC(=O)c1ccc(Oc2ccc(Br)cc2F)cc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)c1ccc(Oc2ccc(Br)cc2F)cc1Cl",
"ref_smiles": "CC(=O)c1ccc(Oc2ccc(Br)cc2)cc1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e75a16fb-4ad0-463b-9c2a-bd1534499a44",
"task": "delete",
"question": "Modify the molecule CC(=NS(C)(=O)=O)[NH+]=C(Nc1ccccc1)N1CCOCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=NS(C)(=O)=O)[NH+]=C(Nc1ccccc1)N1CCOCC1",
"ref_smiles": "CC(=NS(C)(=O)=O)[NH+]=C(N)N1CCOCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fe0bcb9f-2192-439d-bc57-900b0971f0ce",
"task": "delete",
"question": "Please remove a amine from the molecule Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCN(C(=O)[O-])C6)cc5c4)n3c2)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCN(C(=O)[O-])C6)cc5c4)n3c2)cn1.",
"ref_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(C6CCN(C(=O)[O-])C6)cc5c4)n3c2)cn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4483cbfc-6b90-43b1-954a-8245a62faa2a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC[NH+](CC)CC=C(Cl)c1ccc(N)cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+](CC)CC=C(Cl)c1ccc(N)cc1Cl.",
"ref_smiles": "CC[NH+](CC)CC=C(Cl)",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "72d56a0f-f406-4609-972a-e14b839d4155",
"task": "delete",
"question": "Modify the molecule CCCS(=O)Cc1nc2ccccc2n1-c1ccc(-c2ccccc2C(=O)[O-])c(C)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCS(=O)Cc1nc2ccccc2n1-c1ccc(-c2ccccc2C(=O)[O-])c(C)c1",
"ref_smiles": "CCCS(=O)Cc1nc2ccccc2n1Cc1ccccc1C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "51d8598e-20f9-4568-ba55-a14f5c91f210",
"task": "delete",
"question": "Please remove a amide from the molecule CC(=O)N(Cc1nnc(C2CC2)n1C)C1CC[NH+](CC(N)=O)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(Cc1nnc(C2CC2)n1C)C1CC[NH+](CC(N)=O)C1.",
"ref_smiles": "CC(=O)N(Cc1nnc(C2CC2)n1C)C1CC[NH+]C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ceccb98c-368f-4196-8b49-068c2e5a36e5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccc(=O)[nH]n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccc(=O)[nH]n1.",
"ref_smiles": "O=C(NC1CCN(C(=O)CCCl)CC1)c1ccc(=O)[nH]n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8fb34561-ea8e-4f55-8086-3a1901a55a45",
"task": "delete",
"question": "Modify the molecule CCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1",
"ref_smiles": "CCCCCCCOc1ccc(C2CCC(CC)CC2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "abda0137-0539-4333-8e74-71f495a8d998",
"task": "delete",
"question": "Modify the molecule CCC(C)COc1cc2c(cc1OCC(C)CC)-c1cc3c(cc1-c1cc(C=Cc4ccc(C)cc4)ccc1-c1ccc(C=Cc4ccc(C)cc4)cc1-2)OCC(CC)C(C(C)CC)O3 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)COc1cc2c(cc1OCC(C)CC)-c1cc3c(cc1-c1cc(C=Cc4ccc(C)cc4)ccc1-c1ccc(C=Cc4ccc(C)cc4)cc1-2)OCC(CC)C(C(C)CC)O3",
"ref_smiles": "CC=Cc1ccc2c(c1)-c1cc(OCC(C)CC)c(OCC(C)CC)cc1-c1cc3c(cc1-c1cc(C=Cc4ccc(C)cc4)ccc1-2)OCC(CC)C(C(C)CC)O3",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fd86401f-3f77-4fca-b664-4961cba3ad28",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CC(Br)C(=O)c1ccc(Br)s1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CC(Br)C(=O)c1ccc(Br)s1",
"ref_smiles": "CCOC(=O)CCC(=O)c1ccc(Br)s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1ac958c9-163e-4719-908d-a5e9259a57cc",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC1(O)CCC2C3C(CCCCCCl)Cc4cc(O)ccc4C3CCC21C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(O)CCC2C3C(CCCCCCl)Cc4cc(O)ccc4C3CCC21C.",
"ref_smiles": "CC1(O)CCC2C3C(CCCCCCl)Cc4ccccc4C3CCC21C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "226aa929-bfc4-4171-8898-95ea57d03fb4",
"task": "delete",
"question": "Please remove a halo from the molecule C[NH+](C)CC1CCCN1c1ncccc1CBr.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CC1CCCN1c1ncccc1CBr.",
"ref_smiles": "Cc1cccnc1N1CCCC1C[NH+](C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "fd0bd898-83bc-4bea-b9ac-83a219ae4ef7",
"task": "delete",
"question": "Modify the molecule IC1CCCC1c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "IC1CCCC1c1ccccc1",
"ref_smiles": "IC1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f9c9609a-a906-4ed6-abcd-6394d200a47b",
"task": "delete",
"question": "Please remove a halo from the molecule O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(C[NH2+]C2CC2)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(C[NH2+]C2CC2)s1.",
"ref_smiles": "O=S(=O)(NC1(C(F)F)CC1)c1ccc(C[NH2+]C2CC2)s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "542f5488-4bed-4d42-b3db-52a4798dc8e1",
"task": "delete",
"question": "Modify the molecule CC(C)(NC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(NC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1",
"ref_smiles": "CC(C)(NC(=O)Nc1ccccc1O)c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9d212cbc-3b85-4820-943d-9f7a9959f9b9",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CC(O)C[NH+](CC)C(C)C by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CC(O)C[NH+](CC)C(C)C",
"ref_smiles": "CCOC(=O)CCC[NH+](CC)C(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e55a223a-1339-4610-b5fa-8fce020b0f2e",
"task": "delete",
"question": "Please remove a halo from the molecule O=S(=O)(c1ccnc(Cl)c1)N1CCc2ccc(F)cc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(c1ccnc(Cl)c1)N1CCc2ccc(F)cc21.",
"ref_smiles": "O=S(=O)(c1ccncc1)N1CCc2ccc(F)cc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "52537aff-afb3-48b5-8d21-852172b279f6",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C.",
"ref_smiles": "Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1(C)nc(-c2ccccc2)s-1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3b61cb0f-160b-4d46-8fb1-4ecd92aad896",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccc(CCNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CCNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)c1.",
"ref_smiles": "Cc1ccc(CCNC(=O)Nc2ccc(F)c(F)c2)c(C)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "67f9b389-036f-4c1d-bece-463eeb86c391",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(CC([NH3+])c2ccccc2OC)c(OC)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC([NH3+])c2ccccc2OC)c(OC)c1.",
"ref_smiles": "COc1ccc(CC([NH3+])OC)c(OC)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6b4b3a82-e3d8-434a-9bc9-3ea71fcf9b03",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCc1ccc(C)cc1OCC(O)COC(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(C)cc1OCC(O)COC(C)C.",
"ref_smiles": "CCCOCC(O)COC(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "17bff0f9-4e6e-4a50-8f82-07f3b25351d5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(CNc2cc(-c3ccccc3C)nn2C)no1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(CNc2cc(-c3ccccc3C)nn2C)no1.",
"ref_smiles": "Cc1cc(NCc2cc(C)on2)n(C)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "06878e6e-1ea2-4b78-9306-986da8d3c23f",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(=O)N(Cc1cccc(C)c1)C(CC)C(=O)NC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)N(Cc1cccc(C)c1)C(CC)C(=O)NC(C)(C)C.",
"ref_smiles": "CCC(=O)N(CC)C(CC)C(=O)NC(C)(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7bbcff4f-0150-458e-a709-9e56caaaf6d6",
"task": "delete",
"question": "Please remove a halo from the molecule CCC(C)(C)C([NH2+]C)c1c(Cl)cnn1C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)(C)C([NH2+]C)c1c(Cl)cnn1C(C)C.",
"ref_smiles": "CCC(C)(C)C([NH2+]C)c1ccnn1C(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "74b48850-a074-45e7-a731-f532f873f2b4",
"task": "delete",
"question": "Modify the molecule CC=C(NC(=O)C1OC(C)(C)OC1C(N)=O)c1ccc(-c2ccc(-c3c[nH+]c(C4OC(C)(C)OC4C(N)=O)[nH]3)cc2)cc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC=C(NC(=O)C1OC(C)(C)OC1C(N)=O)c1ccc(-c2ccc(-c3c[nH+]c(C4OC(C)(C)OC4C(N)=O)[nH]3)cc2)cc1",
"ref_smiles": "CC=C(NC(=O)C1OC(C)(C)OC1C(N)=O)c1ccc(-c2ccc(-c3c[nH+]c(C4OC(C)(C)O4)[nH]3)cc2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "148bc633-1136-40a3-89ff-3dbc21ea50f7",
"task": "delete",
"question": "Modify the molecule O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1",
"ref_smiles": "O=C1NC(=O)N(c2cccc(C(F)F)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "31aa113f-bcd3-4989-9956-79cfc1483a4f",
"task": "delete",
"question": "Modify the molecule COC(=O)c1cc(C)[nH]c2nc(SCC(=O)Nc3cc4c(cc3Cl)OCCCO4)nc(=O)c1-2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1cc(C)[nH]c2nc(SCC(=O)Nc3cc4c(cc3Cl)OCCCO4)nc(=O)c1-2",
"ref_smiles": "COC(=O)c1cc(C)[nH]c2nc(Sc3cc4c(cc3Cl)OCCCO4)nc(=O)c1-2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "dd4faa3e-7598-4dbe-af5b-f309d985f551",
"task": "delete",
"question": "Please remove a amide from the molecule O=C1C[NH+](C2CCC(NC(=O)Cc3ccc4c(c3)CCC4)C2O)CCN1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1C[NH+](C2CCC(NC(=O)Cc3ccc4c(c3)CCC4)C2O)CCN1.",
"ref_smiles": "O=C(Cc1ccc2c(c1)CCC2)NC1CCC([NH+]2CC2)C1O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "480ac5ee-8585-4049-b14a-5e3786544a99",
"task": "delete",
"question": "Modify the molecule FC(F)(F)C(CBr)c1ccc(Br)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "FC(F)(F)C(CBr)c1ccc(Br)cc1",
"ref_smiles": "FC(F)(F)C(Br)CBr",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "83b03536-1570-4a10-817c-dd2dfc9c9ec0",
"task": "delete",
"question": "Modify the molecule COCC(C)n1cc(C)[nH+]c1Nc1ccc(OC)cc1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC(C)n1cc(C)[nH+]c1Nc1ccc(OC)cc1C",
"ref_smiles": "COCC(C)n1cc(C)[nH+]c1N(C)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1001219b-b814-4fa9-942f-a74acdb1651d",
"task": "delete",
"question": "Please remove a nitrile from the molecule CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N.",
"ref_smiles": "CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "8138fcb6-9ba6-4f4f-a263-1bf49cc453f8",
"task": "delete",
"question": "Modify the molecule Cc1cnc(NN)nc1NC(C)(C)CCc1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cnc(NN)nc1NC(C)(C)CCc1ccccc1",
"ref_smiles": "CCC(C)(C)Nc1nc(NN)ncc1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d9c0e758-781b-4caa-822b-820e0cef62df",
"task": "delete",
"question": "Modify the molecule Cc1c(CCO)sc[n+]1Cc1cccc([N+](=O)[O-])c1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(CCO)sc[n+]1Cc1cccc([N+](=O)[O-])c1",
"ref_smiles": "CCc1sc[n+](Cc2cccc([N+](=O)[O-])c2)c1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "0e940184-4b23-4441-9fc3-99a33f39ffb6",
"task": "delete",
"question": "Modify the molecule Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)c1",
"ref_smiles": "CCCC(=O)COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3ed54e0f-dff4-45bc-a136-d96d362f4e3b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule [C-]#[N+]c1c(C)c(N=Nc2ccccc2O)c(=O)n(Cc2ccc(-c3ccccc3)cc2)c1[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "[C-]#[N+]c1c(C)c(N=Nc2ccccc2O)c(=O)n(Cc2ccc(-c3ccccc3)cc2)c1[O-].",
"ref_smiles": "[C-]#[N+]c1c(C)c(N=Nc2ccccc2O)c(=O)n(Cc2ccccc2)c1[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ad5541dd-ccd2-4ed5-95f0-ec8fb55f11ef",
"task": "delete",
"question": "Modify the molecule Oc1c(C2CCc3ccccc3C2O)ccc2ccccc12 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Oc1c(C2CCc3ccccc3C2O)ccc2ccccc12",
"ref_smiles": "Oc1c(C2CCc3ccccc3C2)ccc2ccccc12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "2d7c81f1-15d6-4230-8552-b4af393cb91c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH2+]CC1(C[NH+](CCO)Cc2ccccc2)CCOCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]CC1(C[NH+](CCO)Cc2ccccc2)CCOCC1.",
"ref_smiles": "C[NH2+]CC1(C[NH+](C)CCO)CCOCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ac23f844-2f78-4d6b-a6f7-0f241bbe3df9",
"task": "delete",
"question": "Modify the molecule Cc1cc(C(=O)NN=Cc2ccc(O)c(Cl)c2)nc(=O)[nH]1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(=O)NN=Cc2ccc(O)c(Cl)c2)nc(=O)[nH]1",
"ref_smiles": "Cc1cc(C(=O)NN=COCl)nc(=O)[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "64231734-3fa0-4bef-84a3-d15e3a51efcc",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)CONC(=O)CC1CCC[NH2+]C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CONC(=O)CC1CCC[NH2+]C1.",
"ref_smiles": "CC(C)COC1CCC[NH2+]C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b1f84bc4-2fa2-4069-bd85-e1a2afe9afb9",
"task": "delete",
"question": "Modify the molecule CCOC(=O)Cn1c(=NC(=O)CSCC(=O)N2CCCCC2C)sc2cc(OCC)ccc21 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)Cn1c(=NC(=O)CSCC(=O)N2CCCCC2C)sc2cc(OCC)ccc21",
"ref_smiles": "CCOC(=O)Cn1c(=NC(=O)C[SH]2CCCCC2C)sc2cc(OCC)ccc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f4ecc4d6-4faf-4bb0-81e4-f4801bc81144",
"task": "delete",
"question": "Modify the molecule Nc1onc(Cc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1-c1cccc(C(F)(F)F)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1onc(Cc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1-c1cccc(C(F)(F)F)c1",
"ref_smiles": "Nc1onc(Cc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1-c1cccc(C)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7ef4f9bd-3b7c-4e63-baa4-37fe995259e1",
"task": "delete",
"question": "Please remove a nitrile from the molecule Cc1cc(N(C)C(C)CC#N)ncn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(N(C)C(C)CC#N)ncn1.",
"ref_smiles": "Cc1cc(N(C)C(C)C)ncn1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "31c6be31-13e7-4daf-a88b-bfda979de9cf",
"task": "delete",
"question": "Modify the molecule Cc1nc(C)c(Cc2ccccc2)c(N2CCCN(C(=O)CC(C)(C)C)CC2)n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(C)c(Cc2ccccc2)c(N2CCCN(C(=O)CC(C)(C)C)CC2)n1",
"ref_smiles": "Cc1nc(C)c(C)c(N2CCCN(C(=O)CC(C)(C)C)CC2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "268baf80-d860-4796-acf0-ddb55ee4f631",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=S1(=O)CCC(CNC(NC2CCOCC2)=[NH+]Cc2cccc(Cl)c2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S1(=O)CCC(CNC(NC2CCOCC2)=[NH+]Cc2cccc(Cl)c2)C1.",
"ref_smiles": "O=S1(=O)CCC(CNC(NC2CCOCC2)=[NH+]CCl)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "af5108bd-6726-42ed-93d0-daa566bde1d8",
"task": "delete",
"question": "Modify the molecule O=C1C(SCC(O)c2ccc(F)cc2Cl)C(c2ccc(O)cc2)N1c1ccc(-c2cccnc2)cc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1C(SCC(O)c2ccc(F)cc2Cl)C(c2ccc(O)cc2)N1c1ccc(-c2cccnc2)cc1",
"ref_smiles": "O=C1C(SCC(O)c2ccc(F)cc2Cl)C(c2ccccc2)N1c1ccc(-c2cccnc2)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "533ebdbe-97d3-4bcd-ac15-d0f1bd6bb382",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CN(C)C(=O)n1nnc(-c2ccc(Oc3ccccc3)cc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)n1nnc(-c2ccc(Oc3ccccc3)cc2)n1.",
"ref_smiles": "CN(C)C(=O)n1nnc(Oc2ccccc2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7c1d34b9-b10b-4d29-81b1-dda3a368a1fd",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule C=CCC(C=C)OC(=O)NC1CCCC2C1=C(C(=O)[O-])N1C(=O)C(C(C)O)C21.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCC(C=C)OC(=O)NC1CCCC2C1=C(C(=O)[O-])N1C(=O)C(C(C)O)C21.",
"ref_smiles": "C=CCC(C=C)OC(=O)NC1CCCC2C1=C(C(=O)[O-])N1C(=O)C(CC)C21",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "ff4fa243-f4f6-4ab9-997b-c991a6b541f8",
"task": "delete",
"question": "Please remove a halo from the molecule CCCC[Te](I)(CC#N)CCCC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC[Te](I)(CC#N)CCCC.",
"ref_smiles": "CCCC[Te](CC#N)CCCC",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e69d9cc3-c7da-49cb-a52f-d34b0bed15aa",
"task": "delete",
"question": "Modify the molecule C#CC#CC#CCC(CCOCC(CC)NS(=O)(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CC#CC#CCC(CCOCC(CC)NS(=O)(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC",
"ref_smiles": "C#CC#CC#CCC(CCOCC(CC)S(=O)(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a8f4d85c-ba3c-4f69-947d-cb8f67cbf5a5",
"task": "delete",
"question": "Modify the molecule CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc([N+](=O)[O-])cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc([N+](=O)[O-])cc1",
"ref_smiles": "CC(=NNC(=O)c1cc2ccc(C)cc2s1)c1ccc([N+](=O)[O-])cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b4cc3f84-15df-458a-b4b8-982f87d04ca2",
"task": "delete",
"question": "Modify the molecule COc1cc(C(=O)N(CC2CCCO2)c2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C(=O)N(CC2CCCO2)c2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1",
"ref_smiles": "COc1cc(C(=O)N(CC2CCCO2)c2nc3c(OC)cccc3s2)nc(OC)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4d1dc251-8f67-4c50-8482-b05f79cfcf61",
"task": "delete",
"question": "Please remove a amine from the molecule CNC(=O)C(C)(C)NS(=O)(=O)c1ccc(C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)C(C)(C)NS(=O)(=O)c1ccc(C)cc1.",
"ref_smiles": "CNC(=O)C(C)(C)S(=O)(=O)c1ccc(C)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b4750ea0-0d75-4007-95a0-d747c767de18",
"task": "delete",
"question": "Please remove a halo from the molecule COc1cc(OC)c2c(c1)c(I)cn2C(=O)OC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(OC)c2c(c1)c(I)cn2C(=O)OC(C)(C)C.",
"ref_smiles": "COc1cc(OC)c2c(ccn2C(=O)OC(C)(C)C)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a2606d0c-0abf-47c4-944a-583e310309a2",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1.",
"ref_smiles": "Cc1ccc(NC(=O)Cn2cc(C3C(=O)NC(=O)C3c3ccco3)c3ccccc32)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "eabd0486-cbca-41e8-8b25-6a031db9a913",
"task": "delete",
"question": "Please remove a benzene ring from the molecule [N-]=[N+]=C1C2CC3C(=O)C(CC1C3c1ccccc1)C2c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[N-]=[N+]=C1C2CC3C(=O)C(CC1C3c1ccccc1)C2c1ccccc1.",
"ref_smiles": "[N-]=[N+]=C1C2CC3CC1C(c1ccccc1)C(C2)C3=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ebfb995e-3723-449e-bae8-99bd42407882",
"task": "delete",
"question": "Modify the molecule C[NH+]=C(NCc1ccn[nH]1)NCC(c1ccccc1)c1ccccc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]=C(NCc1ccn[nH]1)NCC(c1ccccc1)c1ccccc1",
"ref_smiles": "C[NH+]=C(CC(c1ccccc1)c1ccccc1)NCc1ccn[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "df9b11b3-d36d-4a32-b7dd-e592f6206598",
"task": "delete",
"question": "Please remove a halo from the molecule Fc1cccc(Cl)c1CN(CCCl)CC(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "Fc1cccc(Cl)c1CN(CCCl)CC(F)F.",
"ref_smiles": "CCN(Cc1c(F)cccc1Cl)CC(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1cf1691b-b295-408f-8cd5-7316bfab4e56",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOC12CCCC1N(c1ccccc1)NC(=O)N2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC12CCCC1N(c1ccccc1)NC(=O)N2.",
"ref_smiles": "CCOC12CCCC1NNC(=O)N2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7f872d3a-b9bd-453f-9436-735b95962415",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C1OCC2C(CCc3ccccc3)N12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1OCC2C(CCc3ccccc3)N12.",
"ref_smiles": "CCC1C2COC(=O)N12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cfffd251-1c6c-466d-a899-92b399298ca8",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(C)c(C(=O)C(C)(C)C[NH3+])c(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(C(=O)C(C)(C)C[NH3+])c(F)c1.",
"ref_smiles": "Cc1ccc(C(=O)C(C)(C)C[NH3+])c(C)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "16f8b120-a279-4d38-8ac2-acc519d90677",
"task": "delete",
"question": "Please remove a amide from the molecule C[NH2+]CC1CCCN(C(=O)C2NNC(c3ccccc3)C2Br)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]CC1CCCN(C(=O)C2NNC(c3ccccc3)C2Br)C1.",
"ref_smiles": "C[NH2+]CC1CCC(C2(Br)NNC2c2ccccc2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5ea3f7b7-02f7-4f2c-ac23-4ec83fe25787",
"task": "delete",
"question": "Please remove a amine from the molecule CCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.",
"ref_smiles": "CCC(C)c1nccc(-c2ccc(OC)cc2)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6745d9c7-0771-4b70-8509-28b44a990ce5",
"task": "delete",
"question": "Modify the molecule CCCCCCCCCCCCc1ccc(O)c(C[NH+](CC)CC)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCCCCc1ccc(O)c(C[NH+](CC)CC)c1",
"ref_smiles": "CCCCCCCCCCCCC(O)[NH+](CC)CC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0420dae2-c1a5-44fb-bf02-4834a4296cd2",
"task": "delete",
"question": "Modify the molecule CC(C)CC(NC(=O)CCC1CCCCN1C(=O)[O-])C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CC(NC(=O)CCC1CCCCN1C(=O)[O-])C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl",
"ref_smiles": "CC(C)CC(CC1CCCCN1C(=O)[O-])C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5c07b1db-643e-4049-89d7-f4d876dfabeb",
"task": "delete",
"question": "Modify the molecule Nc1ccccc1OCCS(=O)(=O)N1CCCSCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccccc1OCCS(=O)(=O)N1CCCSCC1",
"ref_smiles": "NOCCS(=O)(=O)N1CCCSCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "579e58b5-4533-4512-8c36-b154a5ba0610",
"task": "delete",
"question": "Modify the molecule COC(=O)C(C)(O)n1cnc2c(N)ncnc21 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(C)(O)n1cnc2c(N)ncnc21",
"ref_smiles": "COC(=O)C(C)(O)n1cnc2cncnc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4ec4a6da-4e32-478d-a2c6-1fb7bc58b195",
"task": "delete",
"question": "Modify the molecule Cc1ccccc1CC(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1CC(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1",
"ref_smiles": "CCC(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1e3cfd3e-ba0d-4c6f-9a12-99013f4ea19f",
"task": "delete",
"question": "Modify the molecule COc1ccc([N+](=O)[O-])cc1CC1CC(c2ccc(OC)c(OC3CCCC3)c2)COC1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc([N+](=O)[O-])cc1CC1CC(c2ccc(OC)c(OC3CCCC3)c2)COC1=O",
"ref_smiles": "COc1ccc([N+](=O)[O-])cc1CC1CC(OC)(OC2CCCC2)COC1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c63a2710-5322-4609-9d5d-f91eb878220d",
"task": "delete",
"question": "Modify the molecule CC(=O)N1CCN(C(=O)c2ccoc2Cl)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1CCN(C(=O)c2ccoc2Cl)CC1",
"ref_smiles": "CC(=O)N1CCN(C(=O)c2ccoc2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f2c665cc-603e-4564-9610-a5fdcea401dc",
"task": "delete",
"question": "Modify the molecule Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(Br)c3)c(C)n2n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(Br)c3)c(C)n2n1",
"ref_smiles": "Cc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "fd4b7a71-6240-4c89-bcd2-578685cd688e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(NC(=O)c2ccc3c(N=Nc4c(C#N)cnn4-c4ncccn4)c(O)c(C(=O)Nc4ccc(C)cc4)cc3c2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NC(=O)c2ccc3c(N=Nc4c(C#N)cnn4-c4ncccn4)c(O)c(C(=O)Nc4ccc(C)cc4)cc3c2)cc1.",
"ref_smiles": "CNC(=O)c1cc2cc(C(=O)Nc3ccc(C)cc3)ccc2c(N=Nc2c(C#N)cnn2-c2ncccn2)c1O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7f1e5f43-906d-49f6-afa7-565d0f71970c",
"task": "delete",
"question": "Modify the molecule CCN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc2C(F)(F)F)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc2C(F)(F)F)CC1",
"ref_smiles": "CCN1CC[NH+](CN(C(=O)Nc2ccc(Cl)c(Oc3ncnc4c3OCCN4)c2)C(F)(F)F)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "aa849b07-3c39-41c9-b033-341d33aa30e0",
"task": "delete",
"question": "Modify the molecule O=C(CN(C(=O)c1ccco1)C1CC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CN(C(=O)c1ccco1)C1CC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1",
"ref_smiles": "O=C(CN(C(=O)c1ccco1)C1CC1)N1CCCN(c2ccc(nn2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a2567e8e-2651-47ca-87df-53cb0f8380ef",
"task": "delete",
"question": "Modify the molecule C#CCNC(=O)C(C)[NH2+]C(C)(C)C(C)O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCNC(=O)C(C)[NH2+]C(C)(C)C(C)O",
"ref_smiles": "C#CC(C)[NH2+]C(C)(C)C(C)O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "88a96acb-8498-4b4a-a88b-751b0be4c800",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCNC(=[NH+]CC1(c2cccc(Cl)c2)CCCC1)N1CCC(CC(=O)NC)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(=[NH+]CC1(c2cccc(Cl)c2)CCCC1)N1CCC(CC(=O)NC)CC1.",
"ref_smiles": "CCNC(=[NH+]CC1(Cl)CCCC1)N1CCC(CC(=O)NC)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6e7acb3f-db8d-4544-87ea-69c67d6ef7b4",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccccc1C=CCC1C(=O)N(C)C(N)=[NH+]C1(C)c1cc(-c2cccc(N)c2)cs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1C=CCC1C(=O)N(C)C(N)=[NH+]C1(C)c1cc(-c2cccc(N)c2)cs1.",
"ref_smiles": "Cc1ccccc1C=CCC1C(=O)N(C)C(N)=[NH+]C1(C)c1cc(-c2ccccc2)cs1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "933b5adf-e051-4087-8291-930d2828517a",
"task": "delete",
"question": "Modify the molecule CCc1ccc(-c2c[n+]3c(n2-c2ccc(Cl)cc2)CCCCC3)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(-c2c[n+]3c(n2-c2ccc(Cl)cc2)CCCCC3)cc1",
"ref_smiles": "CCc1ccc(-c2c[n+]3c(n2-c2ccccc2)CCCCC3)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c61bbe10-5938-48d3-b84b-1ed48f3d441d",
"task": "delete",
"question": "Please remove a amide from the molecule CCc1nc(CCNC(=O)C2CCC2)cs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(CCNC(=O)C2CCC2)cs1.",
"ref_smiles": "CCc1nc(CCC2CC2)cs1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d39bf0d4-90ae-4402-ab56-824e328f9183",
"task": "delete",
"question": "Please remove a amide from the molecule CN(C)C(=O)C1=CC(=CO)C(C=O)=C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)C1=CC(=CO)C(C=O)=C1.",
"ref_smiles": "C1=CC(=CO)C(C=O)=C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "8baef4ab-8d96-4329-bf0c-71e29d5c9480",
"task": "delete",
"question": "Please remove a amine from the molecule Nc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCOCC1CO.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCOCC1CO.",
"ref_smiles": "O=C([O-])c1ccc(S(=O)(=O)N2CCOCC2CO)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "08f1cdc0-edeb-407a-a3da-91873860833c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1sc2c3ccccc3p(-c3ccccc3)c2c1C1=C(P(c2ccccc2)c2ccccc2)C2CCC1(C)C2(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1sc2c3ccccc3p(-c3ccccc3)c2c1C1=C(P(c2ccccc2)c2ccccc2)C2CCC1(C)C2(C)C.",
"ref_smiles": "Cc1sc2c3ccccc3p(-c3ccccc3)c2c1C1=C(Pc2ccccc2)C2CCC1(C)C2(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1baedf16-9675-4a1d-a95d-cbd0efa0abec",
"task": "delete",
"question": "Modify the molecule CN(C)c1cccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)c1cccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1",
"ref_smiles": "CN(C)c1cccc(C(=O)NCC(O)C(=O)Nc2ccc3c(N)nccc3c2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "74169ba7-8b40-49db-82bf-6bc0ff7b6203",
"task": "delete",
"question": "Modify the molecule CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1",
"ref_smiles": "CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2662e4d2-6488-4efb-b985-d1abff6ec013",
"task": "delete",
"question": "Modify the molecule Cc1cccc(Cl)c1N1CC(c2nc(-c3ccc(F)c(Cl)c3)no2)CC1=O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(Cl)c1N1CC(c2nc(-c3ccc(F)c(Cl)c3)no2)CC1=O",
"ref_smiles": "Cc1cccc(Cl)c1C(C)c1nc(-c2ccc(F)c(Cl)c2)no1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3c4969e3-e407-4ec7-9188-4e83c2f3eb74",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCCCCCCC=CCCCCCCCC(=O)PNC(CO)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCC=CCCCCCCCC(=O)PNC(CO)C(=O)[O-].",
"ref_smiles": "CCCCCCCCC=CCCCCCCCC(=O)PNC(C)C(=O)[O-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "8a6befbd-e4c8-4d1e-8b78-d0fdde46419c",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(C(O)c2cccc3c2OCCC3)c(F)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(O)c2cccc3c2OCCC3)c(F)cc1F.",
"ref_smiles": "Cc1cc(C(O)c2cccc3c2OCCC3)ccc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "07db22d8-73a0-46d1-86c0-a0a1a986c307",
"task": "delete",
"question": "Modify the molecule Fc1c(Cl)cc(F)c2[nH]ccc12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Fc1c(Cl)cc(F)c2[nH]ccc12",
"ref_smiles": "Fc1ccc(F)c2[nH]ccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "992f41b1-a90a-4f68-bff6-ef2f6b8b3d76",
"task": "delete",
"question": "Please remove a amide from the molecule O=C1CN(C(=O)Nc2ccc(Cl)c(Br)c2)C(C(=O)[O-])CN1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CN(C(=O)Nc2ccc(Cl)c(Br)c2)C(C(=O)[O-])CN1.",
"ref_smiles": "O=C([O-])C1CN1C(=O)Nc1ccc(Cl)c(Br)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "81cc244e-2c78-47f4-a003-701cb88aa409",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCCC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1.",
"ref_smiles": "CCCCCC(C)(C)C[NH2+]CC[NH3+]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "19909b49-2880-444d-830c-c40f85635b8a",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)(C)O)CC2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)(C)O)CC2)n1.",
"ref_smiles": "Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)C)CC2)n1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6b4967c0-e7df-4949-b586-27e8b3b8c542",
"task": "delete",
"question": "Please remove a amide from the molecule C=CC(C)(C)C1(CC(=O)[O-])C(=O)N(CC=C(C)C)c2ccccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC(C)(C)C1(CC(=O)[O-])C(=O)N(CC=C(C)C)c2ccccc21.",
"ref_smiles": "C=CC(C)(C)C(C(=O)[O-])C(C=C(C)C)c1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "29bfed9f-c81f-49f8-b2f9-6de07df92595",
"task": "delete",
"question": "Please remove a halo from the molecule CCC[NH2+]C(Cc1ccc(C)cc1)c1ncc(Cl)cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]C(Cc1ccc(C)cc1)c1ncc(Cl)cc1Cl.",
"ref_smiles": "CCC[NH2+]C(Cc1ccc(C)cc1)c1ccc(Cl)cn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "efe08b26-40f8-4f8e-9572-edc3eaa57ba7",
"task": "delete",
"question": "Modify the molecule CC(C)(C)C1=CC(C2=CCC(c3ccc(O)cc3)CC2)=CC(C)(C(C)(C)C)C1O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C1=CC(C2=CCC(c3ccc(O)cc3)CC2)=CC(C)(C(C)(C)C)C1O",
"ref_smiles": "CC(C)(C)C1=CC(C2=CCC(O)CC2)=CC(C)(C(C)(C)C)C1O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "19a09269-2dd4-40f9-9833-d0818915ad0e",
"task": "delete",
"question": "Please remove a amide from the molecule CCC1SC(=S)N(CC(=O)NC(C)C)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1SC(=S)N(CC(=O)NC(C)C)C1=O.",
"ref_smiles": "CCSC(=S)CC(=O)NC(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "22dfe170-7fd3-4daa-8a23-3d2698acbf40",
"task": "delete",
"question": "Modify the molecule Cc1ccsc1CNC(=O)CCCNC(=O)C(C)(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccsc1CNC(=O)CCCNC(=O)C(C)(C)C",
"ref_smiles": "Cc1ccsc1CCCNC(=O)C(C)(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d08dc5d1-b36c-498a-a283-2acf4548c9b0",
"task": "delete",
"question": "Modify the molecule N#CCc1cc2ccc(Br)c([N+](=O)[O-])c2s1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CCc1cc2ccc(Br)c([N+](=O)[O-])c2s1",
"ref_smiles": "N#CCc1cc2cccc([N+](=O)[O-])c2s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "925d3539-9484-41e9-9c80-4f2953e3fde3",
"task": "delete",
"question": "Modify the molecule C=CC(=CC)CC(=O)NC(=C)SC(=C)CCSCCc1nnc(NC(=O)CC(C)=CC)s1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC(=CC)CC(=O)NC(=C)SC(=C)CCSCCc1nnc(NC(=O)CC(C)=CC)s1",
"ref_smiles": "C=CC(=CC)CC(=O)NC(=C)SC(=C)CCSCCc1nnc(C(C)=CC)s1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "30e0a407-59a9-4774-bdcc-f36b893a3d5f",
"task": "delete",
"question": "Modify the molecule CCN(C)C(=O)C[NH2+]Cc1ccc(NC(C)=O)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(C)C(=O)C[NH2+]Cc1ccc(NC(C)=O)cc1",
"ref_smiles": "CCN(C)C(=O)C[NH2+]CNC(C)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "42bc347b-40be-43f4-ba3d-06c7611851b0",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(O)(CO)c1ccc(Cl)c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(O)(CO)c1ccc(Cl)c(Cl)c1.",
"ref_smiles": "CC(CO)c1ccc(Cl)c(Cl)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "62ddbb03-48fb-4558-9641-7774e9689e44",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1nnnn1C(N=O)c1ccc(S(C)(=O)=O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nnnn1C(N=O)c1ccc(S(C)(=O)=O)cc1.",
"ref_smiles": "Cc1nnnn1C(N=O)S(C)(=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8c6c8c4e-a573-4fac-bbab-7c594e4ea0e1",
"task": "delete",
"question": "Please remove a amine from the molecule COC(=O)c1sc(NC(C)CCCC(C)C)nc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1sc(NC(C)CCCC(C)C)nc1C.",
"ref_smiles": "COC(=O)c1sc(C(C)CCCC(C)C)nc1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "58500637-e947-4eb8-b4d1-c3a376093235",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C(C)C)CC2)cccc1C(=O)NC(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C(C)C)CC2)cccc1C(=O)NC(C)C.",
"ref_smiles": "Cc1c(NC(=O)C(C)[NH+]2CCC(C(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C(C)C)C2)cccc1C(=O)NC(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "778cf4f1-8833-4525-a353-133b03c7c05e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(NCC1CCCC1CCl)c1ccccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCC1CCCC1CCl)c1ccccc1Cl.",
"ref_smiles": "O=C(NCC1CCCC1CCl)",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "586fa602-acfe-4366-b093-f260b4ce9f59",
"task": "delete",
"question": "Modify the molecule CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1",
"ref_smiles": "CC(C)(C)OC(=O)NC(CSC(c1ccccc1)c1ccccc1)C(=O)OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e2a398bc-4eee-4f72-a6b2-778d2a2acfc7",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=S(Oc1ccccc1)SCCC(Br)(c1ccccc1)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(Oc1ccccc1)SCCC(Br)(c1ccccc1)c1ccccc1.",
"ref_smiles": "O=S(Oc1ccccc1)SCCC(Br)c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8750f7ae-3da0-48cc-a846-ebf3257a295c",
"task": "delete",
"question": "Modify the molecule CCC1CCCC1[NH2+]CC1CCCC1CO by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CCCC1[NH2+]CC1CCCC1CO",
"ref_smiles": "CCC1CCCC1[NH2+]CC1CCCC1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "091a8f6f-3450-4958-9e0e-6b792b0b8618",
"task": "delete",
"question": "Modify the molecule CCC1(C)CN(c2cc(OC)ccc2Cl)C(C(C)C)C[NH2+]1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(C)CN(c2cc(OC)ccc2Cl)C(C(C)C)C[NH2+]1",
"ref_smiles": "CCC1(C)CN(c2cccc(OC)c2)C(C(C)C)C[NH2+]1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5ee09eca-378e-4ee4-9201-f252824377b4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cccc(N2CCN(C(=O)c3ccn[nH]3)CC2)c1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(N2CCN(C(=O)c3ccn[nH]3)CC2)c1C.",
"ref_smiles": "CCN1CCN(C(=O)c2ccn[nH]2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "524ec31e-5af2-4cd3-ab44-69cf3b654d35",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1.",
"ref_smiles": "CCOC(=O)Cn1nc(C)ccc1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b2f4cc40-c0db-4c1c-a3d6-44f3d02d4044",
"task": "delete",
"question": "Modify the molecule CC(C)(C)C=NOCc1ccc(-c2ccccc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C=NOCc1ccc(-c2ccccc2)cc1",
"ref_smiles": "CC(C)(C)C=NOCc1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2ae336de-495e-4dc4-b9ae-5484511a0a1b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C)n(CCC(=O)OCc2ccc(C(N)=O)cc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)n(CCC(=O)OCc2ccc(C(N)=O)cc2)n1.",
"ref_smiles": "Cc1cc(C)n(CCC(=O)OCC(N)=O)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "bac22dd6-86ba-4222-a589-f4302eca8258",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(CC=CCO)c1ncc[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC=CCO)c1ncc[nH]1.",
"ref_smiles": "CC=CCC(=O)c1ncc[nH]1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "83bae36f-95a6-4ff2-b545-e67a8ad30ee5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C(=O)NCCc4ccccc4)cc3C2=O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C(=O)NCCc4ccccc4)cc3C2=O)cc1.",
"ref_smiles": "CCNC(=O)C(C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7b4bfa02-bbbb-4924-ad85-97fbf271d5ea",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc2c(c1)C(=O)c1cccc(N)c1C2=S.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2c(c1)C(=O)c1cccc(N)c1C2=S.",
"ref_smiles": "Cc1ccc2c(c1)C(=O)c1ccccc1C2=S",
"add_group": null,
"remove_group": "amine"
},
{
"id": "26962596-c882-453e-9cd5-fd6f433b7a48",
"task": "delete",
"question": "Please remove a amine from the molecule CCCCONC1CCC(CO)[NH2+]C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCONC1CCC(CO)[NH2+]C1.",
"ref_smiles": "CCCCOC1CCC(CO)[NH2+]C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f83fcfc2-ca20-4921-8fdb-21985188a78a",
"task": "delete",
"question": "Modify the molecule Nc1ccc2ncnc(N(CCCO)C3CCC3)c2c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc2ncnc(N(CCCO)C3CCC3)c2c1",
"ref_smiles": "OCCCN(c1ncnc2ccccc12)C1CCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "c6840d25-7912-41f4-ad68-8d678c3a5e26",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCC[NH2+]C1COc2cc(OCCCCCCO)ccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]C1COc2cc(OCCCCCCO)ccc21.",
"ref_smiles": "CCCCCCOc1ccc2c(c1)OCC2[NH2+]CCC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "a598aa4b-9891-4923-8ed2-9f73b08783a5",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cccc(C(=O)NCC2(O)CCOC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C(=O)NCC2(O)CCOC2)c1.",
"ref_smiles": "Cc1cccc(C(=O)NCC2CCOC2)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "12da2d01-4255-4186-87aa-515e7dd4daca",
"task": "delete",
"question": "Please remove a benzene ring from the molecule NC(COc1cccc(NS(=O)(=O)c2cccs2)c1)=[NH+]O.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(COc1cccc(NS(=O)(=O)c2cccs2)c1)=[NH+]O.",
"ref_smiles": "NC(CONS(=O)(=O)c1cccs1)=[NH+]O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "62611ba0-ba0e-4c88-a4ef-3d10cc7e9bbd",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc2oc3ccc(N(C)c4cccc(Cl)c4)cc3c2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2oc3ccc(N(C)c4cccc(Cl)c4)cc3c2c1.",
"ref_smiles": "Cc1ccc2oc3ccc(N(C)Cl)cc3c2c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d8d1a1f4-3ee3-4a46-abc8-93c1dac7b838",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(CNN1CCCCC1)N1CCCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CNN1CCCCC1)N1CCCCC1.",
"ref_smiles": "C1CCN(NC2CCCC2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "353d868e-ecb2-4979-905d-11cafe4ed46a",
"task": "delete",
"question": "Please remove a amine from the molecule CCn1ccnc(N(CCC(N)=S)CC(C)C)c1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1ccnc(N(CCC(N)=S)CC(C)C)c1=O.",
"ref_smiles": "CCn1ccnc(N(CCC=S)CC(C)C)c1=O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "8e20b6e3-88c6-4491-94bb-51b19152ee11",
"task": "delete",
"question": "Please remove a amine from the molecule CC1c2ccsc2CCN1c1ncc(C(=O)[O-])cc1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1c2ccsc2CCN1c1ncc(C(=O)[O-])cc1N.",
"ref_smiles": "CC1c2ccsc2CCN1c1ccc(C(=O)[O-])cn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b229a6a6-4cc9-43b6-a791-530d8b9ff740",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CNC(=O)c1ccc(C(C)N2C(=O)C3CC2C[NH+]3CC(C)C(=O)N2C(C#N)CC3CC32)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)c1ccc(C(C)N2C(=O)C3CC2C[NH+]3CC(C)C(=O)N2C(C#N)CC3CC32)cc1.",
"ref_smiles": "CNC(=O)C(C)N1C(=O)C2CC1C[NH+]2CC(C)C(=O)N1C(C#N)CC2CC21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "789a4171-bda3-4afb-9cad-86c3f07c6d61",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCNC(NC1CCCC(C)C1)=[NH+]CC(O)Cc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NC1CCCC(C)C1)=[NH+]CC(O)Cc1ccccc1.",
"ref_smiles": "CCNC(NC1CCCC(C)C1)=[NH+]CC(C)O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "de1352d4-dd29-4257-a4fc-ca94de39e44c",
"task": "delete",
"question": "Modify the molecule C=CCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C",
"ref_smiles": "C=CCn1c(NN=Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8a50c828-f62e-42ec-9095-06a67f4c7d23",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc2c(n1)oc1c(-c3ncccc3-c3cccc(C(C)C)c3)c(C)ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2c(n1)oc1c(-c3ncccc3-c3cccc(C(C)C)c3)c(C)ccc12.",
"ref_smiles": "Cc1ccc2c(n1)oc1c(-c3ncccc3C(C)C)c(C)ccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "957d6977-6be4-4834-8fdf-523f3897157e",
"task": "delete",
"question": "Please remove a halo from the molecule CCOC(=O)C1=CC2=CC=CC=C(C=C1Br)C2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C1=CC2=CC=CC=C(C=C1Br)C2.",
"ref_smiles": "CCOC(=O)C1=CC2=CC=CC=C(C=C1)C2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7bd4a07e-d7f2-4e05-b2f1-4024cac8f160",
"task": "delete",
"question": "Please remove a halo from the molecule Clc1ccnc(=CI)c1=CC=[V].\nPlease wrap the final SMILES in ....",
"src_smiles": "Clc1ccnc(=CI)c1=CC=[V].",
"ref_smiles": "c1ccnc(=CH)c1=CC=[V]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "eefc4211-8c05-47d8-a2d6-13efea944fcb",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(-c2cc(-c3ccccc3)[te][o+]2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2cc(-c3ccccc3)[te][o+]2)cc1.",
"ref_smiles": "COc1ccc(-c2cc[te][o+]2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "72309943-375a-4a58-9353-07b6da5d1de2",
"task": "delete",
"question": "Please remove a benzene ring from the molecule [NH3+]CCc1ccc(Br)cc1SCC1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]CCc1ccc(Br)cc1SCC1CCCC1.",
"ref_smiles": "[NH3+]CC[SH](Br)CC1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d2fd254f-e208-4832-9474-c72789ace218",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1nn(C(=O)CNc2cccc(Cl)c2C)c(C)c1Cc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nn(C(=O)CNc2cccc(Cl)c2C)c(C)c1Cc1ccccc1.",
"ref_smiles": "Cc1nn(C(=O)CNc2cccc(Cl)c2C)c(C)c1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a536dda0-0e36-43f0-99d0-355daa46b14b",
"task": "delete",
"question": "Modify the molecule CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12",
"ref_smiles": "CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(Cl)cc(-c3ccc(Cl)cc3)c12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "87a777de-70e7-4c34-95f3-217a57dd49ca",
"task": "delete",
"question": "Modify the molecule COc1ccc(Cn2c(CCc3cc4ccccc4[nH]3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(Cn2c(CCc3cc4ccccc4[nH]3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2([NH3+])CC[NH2+]CC2)cc1",
"ref_smiles": "COCn1c(CCc2cc3ccccc3[nH]2)nnc1C(Cc1c[nH]c2ccccc12)NC(=O)C1([NH3+])CC[NH2+]CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a7786757-fbac-49d6-bd75-7e7d3fa6e943",
"task": "delete",
"question": "Please remove a amide from the molecule CNC(=O)CC1CCCCN1c1ccnc(-n2ccnc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)CC1CCCCN1c1ccnc(-n2ccnc2)n1.",
"ref_smiles": "CC1CCCCN1c1ccnc(-n2ccnc2)n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "fe39590f-8f81-47dc-887f-a7fd94a8eb8a",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(C=Cc1cc(Cl)cc(Cl)c1)NCCSCCCO.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C=Cc1cc(Cl)cc(Cl)c1)NCCSCCCO.",
"ref_smiles": "CCCSCCNC(=O)C=Cc1cc(Cl)cc(Cl)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "46b164a0-09d9-42e8-97ed-7d4cc96c0435",
"task": "delete",
"question": "Please remove a amide from the molecule CCc1cccc(C)c1NC(=O)CCSc1ccccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cccc(C)c1NC(=O)CCSc1ccccc1Cl.",
"ref_smiles": "CCc1cccc(C)c1CSc1ccccc1Cl",
"add_group": null,
"remove_group": "amide"
},
{
"id": "34ba8f79-d885-449c-b67b-ae84141a1c4c",
"task": "delete",
"question": "Modify the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(CC)CC)cc3)C2c2ccncc2)cc1OC by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(CC)CC)cc3)C2c2ccncc2)cc1OC",
"ref_smiles": "CCCOc1ccc(CC(Oc2ccc(N(CC)CC)cc2)c2ccncc2)cc1OC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f5de95bd-e288-4955-851b-23cd63b3c177",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1nc(-c2ccc(O)cc2)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(-c2ccc(O)cc2)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2.",
"ref_smiles": "Cc1nc(O)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d8d111af-95e9-43dd-9a0a-9d99f2e19015",
"task": "delete",
"question": "Modify the molecule Cc1cccc(C(CNC(=O)NCC(C)C)c2c[nH]c3ccccc23)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C(CNC(=O)NCC(C)C)c2c[nH]c3ccccc23)c1",
"ref_smiles": "CC(C)CNC(=O)NCC(C)c1c[nH]c2ccccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "12939832-d336-453a-8655-49fcb3b887e0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH2+]CC1CCCN1CC(C#N)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]CC1CCCN1CC(C#N)c1ccccc1.",
"ref_smiles": "C[NH2+]CC1CCCN1CCC#N",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6c881a11-cb4e-496e-90cd-e227233af3b8",
"task": "delete",
"question": "Modify the molecule CC1(O)CCC[NH+](Cc2cnccn2)C1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(O)CCC[NH+](Cc2cnccn2)C1",
"ref_smiles": "CC1CCC[NH+](Cc2cnccn2)C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "3b6271d9-a4ec-435a-96b9-21a4a935c19a",
"task": "delete",
"question": "Modify the molecule COc1cccc(OC)c1C([NH3+])CCc1ccnn1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(OC)c1C([NH3+])CCc1ccnn1C",
"ref_smiles": "COC([NH3+])(CCc1ccnn1C)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2bab0653-2c4c-43df-a43f-4a704fb67d51",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1Cl by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1Cl",
"ref_smiles": "CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fa6df769-2f17-48a4-aa36-3c1e730a019b",
"task": "delete",
"question": "Please remove a amide from the molecule CCOC(=O)CCNC(=O)C(c1ccc(C)cc1C)N(CC)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CCNC(=O)C(c1ccc(C)cc1C)N(CC)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C.",
"ref_smiles": "CCOC(=O)CCNC(=O)C(CC(C)C)(c1ccc(C)cc1C)C(C)NC(=O)OC(C)(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b7e8bce6-642e-4111-9d1a-2a9b9c2d4755",
"task": "delete",
"question": "Please remove a amide from the molecule CCc1ccccc1NC(=O)C1Nc2cc(F)ccc2S(=O)(=O)N1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccccc1NC(=O)C1Nc2cc(F)ccc2S(=O)(=O)N1.",
"ref_smiles": "CCc1ccccc1N1Nc2cc(F)ccc2S1(=O)=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a1f75648-2e4d-44d4-9be9-bcb42bb09bfe",
"task": "delete",
"question": "Please remove a amine from the molecule COc1ccc(OC)c(Sc2nc3c([nH]2)c(N)nc[n+]3CCc2ccc3c(c2)OCO3)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(OC)c(Sc2nc3c([nH]2)c(N)nc[n+]3CCc2ccc3c(c2)OCO3)c1.",
"ref_smiles": "COc1ccc(OC)c(Sc2nc3c(cnc[n+]3CCc3ccc4c(c3)OCO4)[nH]2)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "936f7e51-7c72-4c82-8f91-ad190b869cd0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc(N=c2ccc3cccc4c([O-])c(-c5ccccc5)c(=O)n2c34)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(N=c2ccc3cccc4c([O-])c(-c5ccccc5)c(=O)n2c34)cc1.",
"ref_smiles": "CN=c1ccc2cccc3c([O-])c(-c4ccccc4)c(=O)n1c23",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b5d26098-0588-46ed-b8d9-a1c2ed26722e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1.",
"ref_smiles": "CCOc1cccc(NCC(=O)NC(=O)NC)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f1d6ef3f-fa69-41fd-a11c-fd7e25d10275",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C=CCn1c(C)nnc1SCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCn1c(C)nnc1SCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC.",
"ref_smiles": "C=CCn1c(C)nnc1SCC(=O)Nc1ccsc1C(=O)OCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "81d57920-1156-4593-a778-88a4abf8e46f",
"task": "delete",
"question": "Modify the molecule CCOCCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(C)ccc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOCCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(C)ccc21",
"ref_smiles": "CCOCCn1c(=NC(=O)c2ccc(S(=O)(=O)NC)cc2)sc2cc(C)ccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "031949c3-9409-4557-9d41-097edb09fc21",
"task": "delete",
"question": "Modify the molecule CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1C(C(=O)NC(Cc2ccccc2)C(O)C(=O)[O-])CSC1c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1C(C(=O)NC(Cc2ccccc2)C(O)C(=O)[O-])CSC1c1ccccc1",
"ref_smiles": "COC(=O)NC(C(=O)N1C(C(=O)NC(Cc2ccccc2)C(O)C(=O)[O-])CSC1c1ccccc1)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "758f1699-0d13-4e87-9c24-29b485acc84c",
"task": "delete",
"question": "Modify the molecule CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N",
"ref_smiles": "CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)cnc1N",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8c92ec1c-a448-44d2-a44e-173a621a89a8",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc(OCCOc2cccc(CCN3CC(C(=O)[O-])CC3=O)c2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(OCCOc2cccc(CCN3CC(C(=O)[O-])CC3=O)c2)cc1.",
"ref_smiles": "COc1ccc(OCCOc2cccc(CCCCC(=O)[O-])c2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "37df84a7-ca2c-4ad4-aaee-a4af81569cc6",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(=O)Nc1ccc(C(=O)COC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)Nc1ccc(C(=O)COC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.",
"ref_smiles": "CC(=O)Nc1ccc(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e00dd4bd-658e-4457-9632-0b2c1eb08fa1",
"task": "delete",
"question": "Modify the molecule NNC(=O)C1CCCN(C(=O)C2CC2)C1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "NNC(=O)C1CCCN(C(=O)C2CC2)C1",
"ref_smiles": "NC(=O)C1CCCN(C(=O)C2CC2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0348390a-ef52-492a-a6fc-bb1afd004e0e",
"task": "delete",
"question": "Please remove a amide from the molecule COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1.",
"ref_smiles": "COc1ccc(-c2(-c3ccccc3)c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc-2C)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a0013381-7621-4a30-ad23-fb28a1b3ab2a",
"task": "delete",
"question": "Modify the molecule CCc1cccc(CC)c1N(CCC(=O)NCCc1ccccc1F)C(C)=O by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cccc(CC)c1N(CCC(=O)NCCc1ccccc1F)C(C)=O",
"ref_smiles": "CCc1cccc(CC)c1N(CCC(=O)NCCc1ccccc1)C(C)=O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7aac2c23-f268-4593-a070-a972682cc3e6",
"task": "delete",
"question": "Modify the molecule Cc1cc(C2CCCN2S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)on1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C2CCCN2S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)on1",
"ref_smiles": "Cc1cc(C2CCCN2S(=O)(=O)c2nc(C)cs2)on1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e2789c20-586c-4da1-a85c-84cf513db007",
"task": "delete",
"question": "Modify the molecule Cc1csc2c([N+](=O)[O-])cc(N)cc12 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1csc2c([N+](=O)[O-])cc(N)cc12",
"ref_smiles": "Cc1csc2c([N+](=O)[O-])cccc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "18edf2a9-35d8-496b-9bc3-544fc1273174",
"task": "delete",
"question": "Modify the molecule CCCCCCC1CN=C(c2ccccc2)O1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCC1CN=C(c2ccccc2)O1",
"ref_smiles": "CCCCCCC1CN=CO1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "892b841c-f5c3-4acd-aa8b-9e33b7c72b89",
"task": "delete",
"question": "Modify the molecule C#Cc1cccc(NC(=O)c2ccc(Br)cc2O)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#Cc1cccc(NC(=O)c2ccc(Br)cc2O)c1",
"ref_smiles": "C#Cc1cccc(NC(=O)c2ccccc2O)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4ac92ee5-f41a-4b13-b9b8-9d56d4dcfc00",
"task": "delete",
"question": "Modify the molecule CCCC(C(=O)NC(C)c1cc(OC)ccc1OC)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(C(=O)NC(C)c1cc(OC)ccc1OC)c1ccccc1",
"ref_smiles": "CCCCC(=O)NC(C)c1cc(OC)ccc1OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cd662749-36da-4ad2-a49e-476e279f51cb",
"task": "delete",
"question": "Modify the molecule C=CCSc1ccccc1NC(=O)c1ccc(C)nc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCSc1ccccc1NC(=O)c1ccc(C)nc1",
"ref_smiles": "C=CCSNC(=O)c1ccc(C)nc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a8ba47af-ee1f-4fbb-aa59-da2e9904de1f",
"task": "delete",
"question": "Please remove a halo from the molecule CC1(C)CCC[NH+](Cc2cc(Oc3c(Cl)cc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCC[NH+](Cc2cc(Oc3c(Cl)cc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1.",
"ref_smiles": "CC1(C)CCC[NH+](Cc2cc(Oc3ccc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "804809e7-70aa-4613-8db4-b8021977ac47",
"task": "delete",
"question": "Please remove a amide from the molecule O=C1CCCN(C(=O)CCCc2ccc[nH]2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CCCN(C(=O)CCCc2ccc[nH]2)C1.",
"ref_smiles": "O=C1CCCC(Cc2ccc[nH]2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "db84315f-f982-4430-982f-1437e4974e86",
"task": "delete",
"question": "Please remove a halo from the molecule N#CCC(C(=O)c1ccccc1F)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CCC(C(=O)c1ccccc1F)c1ccccc1.",
"ref_smiles": "N#CCC(C(=O)c1ccccc1)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1811bc70-e66b-460a-9344-e1c047bafdc8",
"task": "delete",
"question": "Modify the molecule COc1ccc(N(C)c2c(N)c[nH+]cc2Br)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(N(C)c2c(N)c[nH+]cc2Br)cc1",
"ref_smiles": "COc1ccc(N(C)c2cc[nH+]cc2N)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ea2ad84b-38df-4413-b928-b1b23e87e732",
"task": "delete",
"question": "Modify the molecule COC(C[NH3+])CC(=O)Nc1cc(CC(C)(C)C)[nH]n1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(C[NH3+])CC(=O)Nc1cc(CC(C)(C)C)[nH]n1",
"ref_smiles": "COC(C[NH3+])c1cc(CC(C)(C)C)[nH]n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "853fbd18-f4fa-4c6a-acb4-0e29ccf166b9",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ccc(C)c([B-](F)(F)F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C)c([B-](F)(F)F)c1.",
"ref_smiles": "COc1ccc(C)c([B-](F)F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "763e348b-54ad-4ebe-a044-dc5ff6786499",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC1CCC(COCCO)O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCC(COCCO)O1.",
"ref_smiles": "CCOCC1CCC(C)O1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e3a147fb-da53-47e1-aff3-3a1d44c6661a",
"task": "delete",
"question": "Please remove a halo from the molecule CCC[NH2+]Cc1sc(-c2ccn(C)n2)nc1C(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]Cc1sc(-c2ccn(C)n2)nc1C(F)(F)F.",
"ref_smiles": "CCC[NH2+]Cc1sc(-c2ccn(C)n2)nc1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "30f78d8b-f7ae-4d85-96ed-1dc310592033",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=O)Oc1ccccc1C1=NN(C(C)=O)C(c2ccncc2)O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)Oc1ccccc1C1=NN(C(C)=O)C(c2ccncc2)O1.",
"ref_smiles": "CC(=O)OC1=NN(C(C)=O)C(c2ccncc2)O1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2528854d-b730-4b50-9a30-1ea3f3db9691",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.",
"ref_smiles": "O=C(NCCl)Nc1ccc2c(c1)CCCN2C(=O)C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "112aaf98-0247-4e31-8443-ad8132b1e295",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(CC)(NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(CC)(NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-].",
"ref_smiles": "CCC(CC)(NC(=O)NC(C)C)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4acdea9d-cf6c-46cd-aa15-a55db0738014",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ncccc1Oc1ccc(CC(C)[NH3+])cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ncccc1Oc1ccc(CC(C)[NH3+])cc1.",
"ref_smiles": "Cc1ncccc1OCC(C)[NH3+]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0f66ca9a-0ea1-46f1-9dff-661b67502640",
"task": "delete",
"question": "Modify the molecule CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3",
"ref_smiles": "CCOCc1nc2cnc3c(c2n1CC(C)(C)O)CCCC3",
"add_group": null,
"remove_group": "amine"
},
{
"id": "05845825-df7e-42b7-a71d-aa38b653ca90",
"task": "delete",
"question": "Modify the molecule O=C(NON(O)C(=O)c1ccccc1)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NON(O)C(=O)c1ccccc1)c1ccccc1",
"ref_smiles": "O=CNON(O)C(=O)c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1823f5e7-dd5e-4103-8e60-1b4e6fb78401",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCc1nc(N(CC)c2ccccc2)sc1C[NH3+].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCc1nc(N(CC)c2ccccc2)sc1C[NH3+].",
"ref_smiles": "CCCc1nc(NCC)sc1C[NH3+]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "981d1a57-22b3-4571-8bb6-9d4ebaa239a0",
"task": "delete",
"question": "Modify the molecule COc1ccc([N+](=O)[O-])cc1C(=O)NCCCOCCO by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc([N+](=O)[O-])cc1C(=O)NCCCOCCO",
"ref_smiles": "CCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "c03bc919-5537-44ee-a13c-39660415c776",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O.",
"ref_smiles": "CC(C)CNC(=O)C(C)C(Cc1ccc(Cl)c(Cl)c1)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f5ec0d2b-972c-4515-9fe8-560475016d2e",
"task": "delete",
"question": "Please remove a amine from the molecule CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C(N)=[NH2+])cc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C(N)=[NH2+])cc2)CC1.",
"ref_smiles": "CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CN)cc2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "fc2a0a17-b999-4b1e-b085-fe864f83085b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cn1c(N2CCCOCC2c2ccccc2)nc(-c2ccncn2)cc1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1c(N2CCCOCC2c2ccccc2)nc(-c2ccncn2)cc1=O.",
"ref_smiles": "Cn1c(N2CCCOCC2)nc(-c2ccncn2)cc1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f8fb93e0-0dd7-47b9-8f01-e9ec43e7f100",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)C(CCl)[NH2+]Cc1cncc(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(CCl)[NH2+]Cc1cncc(Br)c1.",
"ref_smiles": "CC(C)C(CCl)[NH2+]Cc1cccnc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b0132ca1-e1d1-42c0-96ee-155c6dd59a79",
"task": "delete",
"question": "Modify the molecule C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)c1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)c1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1",
"ref_smiles": "C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)c1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3a2e753f-2011-4f44-8a79-d9a3cf14e056",
"task": "delete",
"question": "Please remove a halo from the molecule CC1C(=O)N(c2nc3cc(S(=O)(=O)C(F)F)ccc3s2)C2CCN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1C(=O)N(c2nc3cc(S(=O)(=O)C(F)F)ccc3s2)C2CCN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C12.",
"ref_smiles": "CC1C(=O)N(c2nc3cc(S(=O)(=O)CF)ccc3s2)C2CCN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5745bfb8-edf0-4e08-849d-87bae75e45c9",
"task": "delete",
"question": "Modify the molecule CC(C)N(C(=O)COc1cccc(F)c1C(=O)[O-])C(C)C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)N(C(=O)COc1cccc(F)c1C(=O)[O-])C(C)C",
"ref_smiles": "CC(C)N(C(=O)COc1ccccc1C(=O)[O-])C(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4edcb6cc-7c7b-4d12-aa63-283bf77262c7",
"task": "delete",
"question": "Modify the molecule COC(=O)C1=C(C)NC(CSC)=C(C(=O)OC)C1c1cccc(Cl)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C1=C(C)NC(CSC)=C(C(=O)OC)C1c1cccc(Cl)c1",
"ref_smiles": "COC(=O)C1=C(C)NC(CSC)=C(C(=O)OC)C1c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "59e586b2-e95c-4fcb-ab74-cdd639e9dfc0",
"task": "delete",
"question": "Modify the molecule CCC1(OC(C)=O)C(O)CC(F)C2(C)C(=O)C(OC(C)=O)C3=C(C)C(O)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(OC(C)=O)C(O)CC(F)C2(C)C(=O)C(OC(C)=O)C3=C(C)C(O)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C",
"ref_smiles": "CCC1(OC(C)=O)C(O)CC(F)C2(C)C(=O)C(OC(C)=O)C3=C(C)CCC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "20d019e4-755d-4e51-a77f-b78545751348",
"task": "delete",
"question": "Modify the molecule COc1c(CC(=O)[O-])cnn1Cc1ccc(F)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1c(CC(=O)[O-])cnn1Cc1ccc(F)cc1",
"ref_smiles": "COc1c(CC(=O)[O-])cnn1CF",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f0e3962f-cdbb-415a-93ca-b03124917815",
"task": "delete",
"question": "Modify the molecule CCN(CC(N)=[NH+]O)C(=O)c1ccc(OC)cc1O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(CC(N)=[NH+]O)C(=O)c1ccc(OC)cc1O",
"ref_smiles": "CCN(CC(N)=[NH+]O)C(=O)OOC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4154ac71-7926-4fd4-8aad-962a9037f23e",
"task": "delete",
"question": "Modify the molecule O=c1oc2ccccc2c([O-])c1-c1c(-c2ccccc2)[nH]c2c(=O)oc3ccccc3c12 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=c1oc2ccccc2c([O-])c1-c1c(-c2ccccc2)[nH]c2c(=O)oc3ccccc3c12",
"ref_smiles": "O=c1oc2ccccc2c([O-])c1-c1c[nH]c2c(=O)oc3ccccc3c12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "de91647a-33ca-4350-9b45-40176367f1fa",
"task": "delete",
"question": "Please remove a amide from the molecule CC(=O)N(CC1CCCN1C(=O)Cc1ccon1)C1CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(CC1CCCN1C(=O)Cc1ccon1)C1CC1.",
"ref_smiles": "O=C(Cc1ccon1)N1CCCC1CC1CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "95781304-0e50-4bb4-ac1c-6a32a3efd8f5",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(NC(=S)NCc2cccc(OC)c2)cc1OCC by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(NC(=S)NCc2cccc(OC)c2)cc1OCC",
"ref_smiles": "CCOc1ccc(NC(=S)NCOC)cc1OCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cf15ec60-ea4a-4093-af62-3e638285ba02",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)(C)OC(=O)N1CC(=O)OC(c2ccccc2)C1c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)N1CC(=O)OC(c2ccccc2)C1c1ccccc1.",
"ref_smiles": "CC(C)(C)OC(=O)N1CC(=O)OC(c2ccccc2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "08c70e2d-529d-4c51-ad3e-3935223203d5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC1CC(C)C[NH+](Cc2ccccc2CNC(=O)C(N=C2NS(=O)(=O)c3ccccc32)C(C)C)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC(C)C[NH+](Cc2ccccc2CNC(=O)C(N=C2NS(=O)(=O)c3ccccc32)C(C)C)C1.",
"ref_smiles": "CC1CC(C)C[NH+](CCNC(=O)C(N=C2NS(=O)(=O)c3ccccc32)C(C)C)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d41eac33-8046-4000-b249-51e4832216c8",
"task": "delete",
"question": "Modify the molecule CCc1nc(CNC(NC(C)C(C)c2ccccc2)=[NH+]C)cs1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(CNC(NC(C)C(C)c2ccccc2)=[NH+]C)cs1",
"ref_smiles": "CCc1nc(CNC(=[NH+]C)C(C)C(C)c2ccccc2)cs1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "5acd9de6-234d-44b8-9ceb-992679d31cce",
"task": "delete",
"question": "Modify the molecule C#CCCOc1ncc(I)cn1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCCOc1ncc(I)cn1",
"ref_smiles": "C#CCCOc1ncccn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4fd52766-d39f-4f19-9e1c-70968af5f69f",
"task": "delete",
"question": "Modify the molecule Nc1ncnc2c1ccn2C1OC(C[NH3+])C(O)C1O by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ncnc2c1ccn2C1OC(C[NH3+])C(O)C1O",
"ref_smiles": "[NH3+]CC1OC(n2ccc3cncnc32)C(O)C1O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7a3018bb-13c6-46ae-a11a-c9ebe95d72bb",
"task": "delete",
"question": "Modify the molecule O=C([O-])CCNC(=O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3cc(Cl)cc(Cl)c3)cs2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CCNC(=O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3cc(Cl)cc(Cl)c3)cs2)cc1",
"ref_smiles": "O=C([O-])CCNC(=O)CC(c1ccc(OC(F)(F)F)cc1)c1nc(-c2cc(Cl)cc(Cl)c2)cs1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1563e4f6-5423-4e05-b0aa-f8fc5dcd262f",
"task": "delete",
"question": "Please remove a amine from the molecule COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1.",
"ref_smiles": "COC(=O)c1cc2cc(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f440c48c-6859-4e2c-94c7-a8d096668249",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C([O-])CC(O)CC(NC(=O)OCc1ccccc1)C1OCCCO1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CC(O)CC(NC(=O)OCc1ccccc1)C1OCCCO1.",
"ref_smiles": "COC(=O)NC(CC(O)CC(=O)[O-])C1OCCCO1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "24963523-7b5f-4683-9c41-86f30011eec1",
"task": "delete",
"question": "Modify the molecule Cc1cc(Oc2ncc(Br)cc2C[NH3+])ccc1C(C)C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(Oc2ncc(Br)cc2C[NH3+])ccc1C(C)C",
"ref_smiles": "CC(C)(C)Oc1ncc(Br)cc1C[NH3+]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0c11440a-0ecb-4f26-b894-fb111af37023",
"task": "delete",
"question": "Modify the molecule COc1ccc(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)cc1Cl by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)cc1Cl",
"ref_smiles": "COC(Cl)[NH2+]C(C)C12CC3CC(CC(C3)C1)C2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "13f57b20-b4bd-4193-bf75-d659a78e3c46",
"task": "delete",
"question": "Modify the molecule COc1ccc(-c2nc3ccc(S(=O)(=O)[O-])cc3[nH]2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2nc3ccc(S(=O)(=O)[O-])cc3[nH]2)cc1",
"ref_smiles": "COc1nc2ccc(S(=O)(=O)[O-])cc2[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "126ec893-64dd-4737-84e0-06eaf3196df3",
"task": "delete",
"question": "Modify the molecule CCOc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1",
"ref_smiles": "CCOc1ccc2cc(C(=O)Nc3ccccc3C)c(=O)oc2c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "fb8f767d-bc20-4c0a-82bb-4fe37bf108c0",
"task": "delete",
"question": "Modify the molecule Cc1csc(=O)n1CCC(=O)Nc1ccc(C#N)cc1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1csc(=O)n1CCC(=O)Nc1ccc(C#N)cc1",
"ref_smiles": "Cc1csc(=O)n1CCC(=O)Nc1ccccc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "7f7f909b-0281-4be0-b316-15242ac1247d",
"task": "delete",
"question": "Please remove a amine from the molecule CCOc1cc(F)c(CN=C(C2CC2)C(C)C(=N)c2nc(N)cc(Nc3ccnnc3)n2)c(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1cc(F)c(CN=C(C2CC2)C(C)C(=N)c2nc(N)cc(Nc3ccnnc3)n2)c(F)c1.",
"ref_smiles": "CCOc1cc(F)c(CN=C(C2CC2)C(C)C(=N)c2nccc(Nc3ccnnc3)n2)c(F)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a3e47f8d-870c-43e7-8321-8a89faae5874",
"task": "delete",
"question": "Please remove a amine from the molecule C[NH+](C)CCOCCn1nnnc1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CCOCCn1nnnc1N.",
"ref_smiles": "C[NH+](C)CCOCCn1cnnn1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "bb389890-030a-47b8-b523-3d1a7c55f6e4",
"task": "delete",
"question": "Modify the molecule CCCCCCCCCCCCSCC(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCCCCSCC(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F",
"ref_smiles": "CCCCCCCCCCCCSCC(C(F)(F)F)S(=O)(=O)c1ccc(C)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "02befb32-3831-4430-9386-9eea27e3f00c",
"task": "delete",
"question": "Modify the molecule CC(C)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(COP(=O)([O-])[O-])NC(=O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(C)O)C(C)O)C(=O)NC(C=O)Cc1cnc[nH]1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(COP(=O)([O-])[O-])NC(=O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(C)O)C(C)O)C(=O)NC(C=O)Cc1cnc[nH]1",
"ref_smiles": "CC(C)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(COP(=O)([O-])[O-])NC(=O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC[NH+]=CN)C(C)O)C(C)O)C(=O)NC(C=O)Cc1cnc[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4f22657a-a044-464d-848a-a4208576fb13",
"task": "delete",
"question": "Modify the molecule COc1cccc(OC)c1C1(C2(c3c(OC)cccc3OC)SCC(=O)N2Cc2ccc(-n3cccn3)cc2)SCC(=O)N1Cc1ccc(N2CCCC2)cc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(OC)c1C1(C2(c3c(OC)cccc3OC)SCC(=O)N2Cc2ccc(-n3cccn3)cc2)SCC(=O)N1Cc1ccc(N2CCCC2)cc1",
"ref_smiles": "COc1cccc(OC)c1C1(C2(c3c(OC)cccc3OC)SCC(=O)N2Cc2ccc(-n3cccn3)cc2)SC1c1ccc(N2CCCC2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2603e2bb-8700-4d6a-8d62-6f5d77c732e1",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)NC(=O)CCNC(=O)c1c(N)cccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)NC(=O)CCNC(=O)c1c(N)cccc1Cl.",
"ref_smiles": "CC(C)NC(=O)CCNC(=O)c1ccccc1N",
"add_group": null,
"remove_group": "halo"
},
{
"id": "94a80b31-1943-400a-b1a5-8447eb01f565",
"task": "delete",
"question": "Please remove a amine from the molecule CCNc1nc(CC)nc(NC2CCCCCC2C)c1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNc1nc(CC)nc(NC2CCCCCC2C)c1C.",
"ref_smiles": "CCNc1nc(CC)nc(C2CCCCCC2C)c1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1948f0e1-ffba-4e8d-b9c7-1f3f84ce4264",
"task": "delete",
"question": "Modify the molecule COc1ccccc1C1CCc2ccccc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1C1CCc2ccccc21",
"ref_smiles": "COC1CCc2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "076c1fd8-4894-4925-b344-72d305f9a8cf",
"task": "delete",
"question": "Modify the molecule O=S(=O)(NCc1cccc(I)c1)c1cnc(Cl)c(Br)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(NCc1cccc(I)c1)c1cnc(Cl)c(Br)c1",
"ref_smiles": "O=S(=O)(Cc1cccc(I)c1)c1cnc(Cl)c(Br)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "74406f8a-82f3-4530-84eb-369541a66cca",
"task": "delete",
"question": "Modify the molecule O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccccc3)c2)C1=O)Nc1cccc2ccccc12 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccccc3)c2)C1=O)Nc1cccc2ccccc12",
"ref_smiles": "O=C(S)C(Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc2ccccc12",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4db1aff5-b5c6-4a29-aa74-8f693d105cba",
"task": "delete",
"question": "Please remove a halo from the molecule CCCCCCCCCC(CC)CCCCBr.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCC(CC)CCCCBr.",
"ref_smiles": "CCCCCCCCCC(CC)CCCC",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e3dd14b6-7dda-4a32-85f0-6d8e48fe0e85",
"task": "delete",
"question": "Modify the molecule CC(C)Oc1ccc(-c2cnn(C)c(=O)c2C(=O)Cl)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Oc1ccc(-c2cnn(C)c(=O)c2C(=O)Cl)cc1",
"ref_smiles": "CC(C)Oc1ccc(-c2cnn(C)c(=O)c2C=O)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a6c36e0f-1278-457e-8818-22951c100cd0",
"task": "delete",
"question": "Modify the molecule C=C[Si](OCc1ccccc1)(c1ccccc1)c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C[Si](OCc1ccccc1)(c1ccccc1)c1ccccc1",
"ref_smiles": "C=C[Si](OCc1ccccc1)c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "21f9f34e-54a6-48cb-accc-949b586f44a7",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ccc(Oc2ccc(C(N)=O)nn2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ccc(Oc2ccc(C(N)=O)nn2)cc1",
"ref_smiles": "CCOC(=O)Oc1ccc(C(N)=O)nn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7874f79e-4ba6-4b47-bf30-a23580aa2667",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccccc1OCC(N)CC#N.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1OCC(N)CC#N.",
"ref_smiles": "Cc1ccccc1OCCCC#N",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f2c35951-6b70-4f08-83c5-50d4e01470bb",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(N)=O)cc6)cccc5[nH]4)c3c2)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(N)=O)cc6)cccc5[nH]4)c3c2)cn1.",
"ref_smiles": "Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(N)=O)cc6)cccc5[nH]4)c3c2)cn1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "89e988a4-c121-4e91-9000-a0bdc48a4c1b",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ccc(C(F)(F)C(O)OCC)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ccc(C(F)(F)C(O)OCC)cc1",
"ref_smiles": "CCOC(=O)c1ccc(C(F)C(O)OCC)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "86b9744f-2ca0-4233-8a40-b70f244cc25a",
"task": "delete",
"question": "Modify the molecule CCCC(CC#N)c1ccc(F)c(C)c1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(CC#N)c1ccc(F)c(C)c1",
"ref_smiles": "CCCC(C)c1ccc(F)c(C)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "447b2ebb-fc1d-4de3-9019-41dbbb35b4a8",
"task": "delete",
"question": "Please remove a halo from the molecule C[NH+](C)C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1.",
"ref_smiles": "C[NH+](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "28384ec8-e359-4e58-a996-a06c7f1fe637",
"task": "delete",
"question": "Modify the molecule NS(=O)(=O)c1cccc(-c2cn3c([nH+]2)CCC3)c1-c1ccccc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "NS(=O)(=O)c1cccc(-c2cn3c([nH+]2)CCC3)c1-c1ccccc1",
"ref_smiles": "O=[SH](=O)c1cccc(-c2cn3c([nH+]2)CCC3)c1-c1ccccc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f45e6ec1-2f78-424f-a40f-4a4f60ac70bb",
"task": "delete",
"question": "Modify the molecule CC(C)N(CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)N(CCC(=O)[O-])c1ccc(C(F)(F)F)cc1",
"ref_smiles": "CC(C)N(CCC(=O)[O-])C(F)(F)F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4aa8c6e5-fcdc-44e4-906f-fb81a03a5f4d",
"task": "delete",
"question": "Modify the molecule C#CCCCC(C=C(C=CC(C)C)c1ccccc1)(C(=O)OC)C(=O)OC by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCCCC(C=C(C=CC(C)C)c1ccccc1)(C(=O)OC)C(=O)OC",
"ref_smiles": "C#CCCCC(C=CC=CC(C)C)(C(=O)OC)C(=O)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "66edcca5-12a8-4c8a-a7ab-0637bddcfbae",
"task": "delete",
"question": "Please remove a amide from the molecule CCCC1CC(=O)N(Cn2cncc2CO)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC1CC(=O)N(Cn2cncc2CO)C1.",
"ref_smiles": "CCCCCCn1cncc1CO",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a38e1461-1753-410d-a44b-12a0334f8918",
"task": "delete",
"question": "Modify the molecule CCc1nnsc1C(=O)NCC(Br)C(C)C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nnsc1C(=O)NCC(Br)C(C)C",
"ref_smiles": "CCc1nnsc1C(=O)NCCC(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3559c254-7478-4daa-ba05-0f76df7fc0ba",
"task": "delete",
"question": "Modify the molecule COC(=O)NC1=[NH+]CC(c2ccc(C)cc2)CN1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)NC1=[NH+]CC(c2ccc(C)cc2)CN1",
"ref_smiles": "COC(=O)NC1=[NH+]CC(C)CN1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "85d09030-2d5d-4556-bf03-6faf3ea7dd4d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2nnnn2C2CC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2nnnn2C2CC2)c1.",
"ref_smiles": "O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nnnn1C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ad2da0a0-c792-4377-bf51-b78134162013",
"task": "delete",
"question": "Modify the molecule O=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1",
"ref_smiles": "O=C(C1CN(c2ncc(C(F)F)cc2Cl)C1)N1CCCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3e50b5b4-25c4-4b50-9459-4ae8ecea3896",
"task": "delete",
"question": "Please remove a halo from the molecule CCCCCC1CCC(C2CCC(CCc3c(C)cc(C4CO4)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCC1CCC(C2CCC(CCc3c(C)cc(C4CO4)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1.",
"ref_smiles": "CCCCCC1CCC(C2CCC(CCc3c(C)cc(C4CO4)c(C(F)(F)F)c3C(F)F)CC2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7dea4746-2441-45b2-8bd4-e7cb267fc56c",
"task": "delete",
"question": "Please remove a nitrile from the molecule CCOC(=O)C(C#N)C(C(=O)c1ccc(Cl)cc1)c1cccc(I)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C(C#N)C(C(=O)c1ccc(Cl)cc1)c1cccc(I)c1.",
"ref_smiles": "CCOC(=O)CC(C(=O)c1ccc(Cl)cc1)c1cccc(I)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "cd24dd84-5fb4-4c0f-9d29-5e08a3c2da20",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC1CC(C)CN(c2ccc(N3C(=S)NC(c4ccccn4)C3c3ccc(-c4ccc(F)cc4)o3)cc2Cl)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC(C)CN(c2ccc(N3C(=S)NC(c4ccccn4)C3c3ccc(-c4ccc(F)cc4)o3)cc2Cl)C1.",
"ref_smiles": "CC1CC(C)CN(c2ccc(N3C(=S)NC(c4ccccn4)C3c3ccc(F)o3)cc2Cl)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0c3c944b-82b1-45c3-9f2f-db8df24937da",
"task": "delete",
"question": "Please remove a amine from the molecule O=c1ccc2c(Nc3c(Cl)ccc4c3OCO4)ccnc2[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=c1ccc2c(Nc3c(Cl)ccc4c3OCO4)ccnc2[nH]1.",
"ref_smiles": "O=c1ccc2c(-c3c(Cl)ccc4c3OCO4)ccnc2[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "669ced48-b845-4a54-926a-8fde75de7040",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COCC(=O)NCc1cccc(C(=Nc2ccc(C[NH+](C)C)cc2)c2c(O)[nH]c3cc(F)ccc23)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC(=O)NCc1cccc(C(=Nc2ccc(C[NH+](C)C)cc2)c2c(O)[nH]c3cc(F)ccc23)c1.",
"ref_smiles": "COCC(=O)NCc1cccc(C(=NC[NH+](C)C)c2c(O)[nH]c3cc(F)ccc23)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2d845871-e177-45d7-b57a-c9a515001ba4",
"task": "delete",
"question": "Modify the molecule COc1cccc(CCNNC(=O)C2(Cc3ccc(Br)cc3)N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2Br)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(CCNNC(=O)C2(Cc3ccc(Br)cc3)N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2Br)c1",
"ref_smiles": "COc1cccc(CCNNC(=O)C2(Cc3ccc(Br)cc3)N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3aa50c69-d706-447f-977c-c33555ba28d1",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule COc1ccc(CCNC(=O)CO)cc1OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CCNC(=O)CO)cc1OC.",
"ref_smiles": "COc1ccc(CCNC(=O)C)cc1OC",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "2b5334f8-4297-4fe8-99ec-4f1813489889",
"task": "delete",
"question": "Modify the molecule CC1(C)CCCN1C(=O)CNC(=O)C[NH3+] by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCCN1C(=O)CNC(=O)C[NH3+]",
"ref_smiles": "CC1(C)CCCN1C(=O)C[NH3+]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3ba8c1e9-b45d-48c4-9ccc-098f05ce8b29",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCc1[nH+]cc(C=C(Cc2ccc(C)s2)c2nn[n-]n2)n1Cc1ccccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCc1[nH+]cc(C=C(Cc2ccc(C)s2)c2nn[n-]n2)n1Cc1ccccc1Cl.",
"ref_smiles": "CCCCc1[nH+]cc(C=C(Cc2ccc(C)s2)c2nn[n-]n2)n1CCl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "559a1876-60cf-47cf-858a-7f2cb9c3573f",
"task": "delete",
"question": "Modify the molecule CC(=O)CCc1ccc2c(c1)NC(=O)CO2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)CCc1ccc2c(c1)NC(=O)CO2",
"ref_smiles": "CC(=O)CCc1ccc2c(c1)O2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b9fe4743-c3d0-49a4-9a8f-ff9881046be9",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC1(Nc2cccc(F)c2C(N)=S)CCOCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(Nc2cccc(F)c2C(N)=S)CCOCC1.",
"ref_smiles": "CC1(N(F)C(N)=S)CCOCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b35986a1-f21e-41e1-9468-3fff9d2270c8",
"task": "delete",
"question": "Modify the molecule Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CC(=O)N4)cc12 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CC(=O)N4)cc12",
"ref_smiles": "Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccccc3)cc12",
"add_group": null,
"remove_group": "amide"
},
{
"id": "27ded9ae-1441-4937-8a94-e6b3c33c4449",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COCc1[nH]n(-c2ccc(C#N)cc2)c2nnc(N)c1-2.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCc1[nH]n(-c2ccc(C#N)cc2)c2nnc(N)c1-2.",
"ref_smiles": "COCc1[nH]n(C#N)c2nnc(N)c1-2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "744328b6-3bce-4998-801a-ac0e2ef8cc3a",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(Nc1cccc(I)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Nc1cccc(I)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3.",
"ref_smiles": "O=C(Nc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3",
"add_group": null,
"remove_group": "halo"
},
{
"id": "90e217fd-2559-4280-be6f-4bbba0d2b922",
"task": "delete",
"question": "Modify the molecule Cc1ccc(-c2nc3scc(C)n3c2CC#N)cc1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2nc3scc(C)n3c2CC#N)cc1",
"ref_smiles": "Cc1ccc(-c2nc3scc(C)n3c2C)cc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "a8fe88dd-7615-48f7-9579-5d8f78840fee",
"task": "delete",
"question": "Modify the molecule CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)CCc3cccc(F)c3)CC2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)CCc3cccc(F)c3)CC2)cc1",
"ref_smiles": "CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b0ae951b-c724-4a2b-acbd-e883dcd2dfec",
"task": "delete",
"question": "Please remove a thiol from the molecule CC(S)C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(S)C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.",
"ref_smiles": "CCC(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1",
"add_group": null,
"remove_group": "thiol"
},
{
"id": "2e8bd220-4e65-41eb-8f19-849cbebcaf26",
"task": "delete",
"question": "Please remove a amine from the molecule CCn1ncc(OC)c1C(NN)c1coc(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1ncc(OC)c1C(NN)c1coc(C)c1.",
"ref_smiles": "CCn1ncc(OC)c1C(N)c1coc(C)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "29892836-ee93-4d63-8d3f-be147c608aca",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C([O-])CCC(NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CCC(NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-].",
"ref_smiles": "O=C([O-])CCC(NC(=O)SSc1ccccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "41f70df1-f0fb-4892-9eec-cc296249bdfc",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccccc1NC(=O)Nc1ccccc1-c1cn2c([nH+]1)SCC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1NC(=O)Nc1ccccc1-c1cn2c([nH+]1)SCC2.",
"ref_smiles": "CONC(=O)Nc1ccccc1-c1cn2c([nH+]1)SCC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1a8de0b8-b9a3-4768-b61d-59fa94abdb3e",
"task": "delete",
"question": "Modify the molecule CC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(C)cc1",
"ref_smiles": "CC(=O)N(C)CC(=O)NCc1ccccc1Cl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "472ea3d9-64a8-46be-8135-5848378394d7",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)c1cc(-c2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)o2)ccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1cc(-c2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)o2)ccc1Cl.",
"ref_smiles": "COC(=O)c1cccc(-c2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)o2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e3922a71-8ed2-43ba-ad1b-373b67b35ec3",
"task": "delete",
"question": "Modify the molecule CCNc1nc(CCOCC(F)(F)F)ncc1I by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNc1nc(CCOCC(F)(F)F)ncc1I",
"ref_smiles": "CCc1nc(CCOCC(F)(F)F)ncc1I",
"add_group": null,
"remove_group": "amine"
},
{
"id": "52cca757-a22e-4118-a529-9854e6893bb3",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)Nc1ccccc1NC1CCCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Nc1ccccc1NC1CCCCC1.",
"ref_smiles": "CC(C)NNC1CCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1c0655e0-d71c-483c-abdf-6699ae244df8",
"task": "delete",
"question": "Modify the molecule Cn1nccc1-c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1OCC[NH+]1CCOCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1nccc1-c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1OCC[NH+]1CCOCC1",
"ref_smiles": "Cn1nccc1-c1cc(NC(=O)COC#N)ccc1OCC[NH+]1CCOCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f42bd00d-5446-414d-9e7e-744d6f18f21a",
"task": "delete",
"question": "Modify the molecule CSc1ccc(Cn2ncc(Cl)c2N)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSc1ccc(Cn2ncc(Cl)c2N)cc1",
"ref_smiles": "CSc1ccc(Cn2nccc2N)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5f6135a8-41c2-4370-9ae5-9905230de19a",
"task": "delete",
"question": "Modify the molecule CC1CC(C(=O)[O-])CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC(C(=O)[O-])CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1",
"ref_smiles": "CC1CC(C(=O)[O-])CN(S(=O)(=O)c2ccc(F)c(F)c2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "188dcb0b-bdc6-4b39-ad80-47b7d3238485",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)(C)C1=[NH+]C(=O)CC(Cl)=N1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C1=[NH+]C(=O)CC(Cl)=N1.",
"ref_smiles": "CC(C)(C)C1=[NH+]C(=O)CC=N1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1f6b9419-b2cd-48dc-b17e-415c4d86b97f",
"task": "delete",
"question": "Modify the molecule CCCC(C)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(C)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C",
"ref_smiles": "CCCC(C)OC(=O)c1oc2ccc(OCC)cc2c1C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "c3f46ea9-8b71-438d-882c-da55ddb35ea3",
"task": "delete",
"question": "Modify the molecule CCC(c1nc2occc2c(=O)n1Cc1ccccc1)[NH+](CCN(C)C)Cc1ccc(Cl)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(c1nc2occc2c(=O)n1Cc1ccccc1)[NH+](CCN(C)C)Cc1ccc(Cl)cc1",
"ref_smiles": "CCC(c1nc2occc2c(=O)n1Cc1ccccc1)[NH+](CCl)CCN(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "56df9db5-8619-42e6-9cc6-8d5e5a3161d2",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ncn2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ncn2)n1.",
"ref_smiles": "Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4)CC3)ncn2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6683aef4-9885-43c2-9062-a1bde2a62c4a",
"task": "delete",
"question": "Modify the molecule O=C(CC1C2CC3CC(C2)CC1C3)N1CCC2(CCCC2)C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC1C2CC3CC(C2)CC1C3)N1CCC2(CCCC2)C1",
"ref_smiles": "C1CCC2(C1)CCC2C1C2CC3CC(C2)CC1C3",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ce9380f2-6ee9-4c2c-99b5-2cdaae480f6d",
"task": "delete",
"question": "Please remove a amine from the molecule CCOc1ccc(C=C2SC(=[NH+]c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C=C2SC(=[NH+]c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1.",
"ref_smiles": "CCOc1ccc(C=C2SC(c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "31887966-1c10-43b0-b20f-8bd46caae112",
"task": "delete",
"question": "Modify the molecule O=C([O-])C1(COc2ccccc2Br)CCCCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C1(COc2ccccc2Br)CCCCC1",
"ref_smiles": "O=C([O-])C1(COBr)CCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3ca3483b-6d26-460b-84a2-8cf1cb230b45",
"task": "delete",
"question": "Modify the molecule O=C([O-])c1cncnc1C[NH2+]CCCCCO by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])c1cncnc1C[NH2+]CCCCCO",
"ref_smiles": "CCCCC[NH2+]Cc1ncncc1C(=O)[O-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "a79ea7a3-6f02-46ab-a5a1-bc1ddda70b21",
"task": "delete",
"question": "Modify the molecule Cc1nc2ccc3cc4ccccc4cc3c2cc1N=Cc1ccc(N(C)C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc2ccc3cc4ccccc4cc3c2cc1N=Cc1ccc(N(C)C)cc1",
"ref_smiles": "Cc1nc2ccc3cc4ccccc4cc3c2cc1N=CN(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "5d0bdd5d-7c55-4ebf-941f-7c0b86617527",
"task": "delete",
"question": "Modify the molecule CN(CC[NH3+])Cc1nccn1Cc1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(CC[NH3+])Cc1nccn1Cc1ccccc1",
"ref_smiles": "CN(CC[NH3+])Cc1nccn1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8f45aed2-719d-4b44-8476-a6bdeb516819",
"task": "delete",
"question": "Modify the molecule O=C1COc2ccc(C3CC(C(=O)[O-])[NH2+]CO3)cc2N1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1COc2ccc(C3CC(C(=O)[O-])[NH2+]CO3)cc2N1",
"ref_smiles": "O=C([O-])C1CC(c2ccc3c(c2)O3)OC[NH2+]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ecc9744d-344a-4cb4-a360-236d8905f535",
"task": "delete",
"question": "Modify the molecule CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1",
"ref_smiles": "CCN(C)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9412c25e-d0b1-4715-a3ea-1e675fddda29",
"task": "delete",
"question": "Modify the molecule Cc1nccn2c(C3CCN(C)C(=O)C3)nc(Br)c12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nccn2c(C3CCN(C)C(=O)C3)nc(Br)c12",
"ref_smiles": "Cc1nccn2c(C3CCN(C)C(=O)C3)ncc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b62c5806-5fad-44d1-aed9-b8acf6c8bdb2",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCOc1cc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1cc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1O.",
"ref_smiles": "CCOc1cccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(CC)cc2)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "fe01105b-6500-4b76-a1b4-d7f6e28fb895",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1ccc2[nH]c(-c3cccc(O)c3O)nc2n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc2[nH]c(-c3cccc(O)c3O)nc2n1.",
"ref_smiles": "CCOc1ccc2[nH]c(OO)nc2n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "48164593-2bb3-4649-ac41-7bd3c5c80b69",
"task": "delete",
"question": "Please remove a amine from the molecule CCNC(NCCc1cccnc1)=[NH+]CC1COc2ccccc2O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NCCc1cccnc1)=[NH+]CC1COc2ccccc2O1.",
"ref_smiles": "CCNC(CCc1cccnc1)=[NH+]CC1COc2ccccc2O1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "109a8c14-fc1c-4479-aa03-4e396152f419",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(C)C([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])C(C)CC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)C([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])C(C)CC.",
"ref_smiles": "CCC(C)C([NH3+])C(Cc1ccccc1)C(Cc1ccccc1)CCCCCCCCCCCCCC(Cc1ccccc1)C(Cc1ccccc1)C([NH3+])C(C)CC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "7fde3eab-3b94-4fd1-88d1-4a8c1b72d424",
"task": "delete",
"question": "Please remove a halo from the molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si]Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si]Cl.",
"ref_smiles": "FC(C(F)(F)C(F)(F)CC[Si]Cl)C(F)(F)C(F)(F)C(F)(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "35365f93-06b3-4c6e-a0db-2ff5a64f7679",
"task": "delete",
"question": "Modify the molecule CC(NC(=O)c1cc2c(nc3sccn32)s1)c1cccc(NS(C)(=O)=O)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(NC(=O)c1cc2c(nc3sccn32)s1)c1cccc(NS(C)(=O)=O)c1",
"ref_smiles": "CC(NC(=O)c1cc2c(nc3sccn32)s1)c1cccc(S(C)(=O)=O)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "dc761318-9de9-4487-bfa7-b3689b7b8813",
"task": "delete",
"question": "Please remove a halo from the molecule CCCc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1F.",
"ref_smiles": "CCCc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "fccd6f57-d565-46f4-8036-dca6734aff09",
"task": "delete",
"question": "Modify the molecule CCc1cc(CO)c(Cl)c2sccc12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cc(CO)c(Cl)c2sccc12",
"ref_smiles": "CCc1cc(CO)cc2sccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7be664de-f8d1-4298-a5e9-874cf94a0228",
"task": "delete",
"question": "Please remove a amine from the molecule CCNC(NCC(C)[NH+]1CCOCC1)=[NH+]CC(C)C[NH+]1CCCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NCC(C)[NH+]1CCOCC1)=[NH+]CC(C)C[NH+]1CCCCC1.",
"ref_smiles": "CCNC(CC(C)C[NH+]1CCCCC1)NCC(C)[NH+]1CCOCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "590b6cca-02d9-4457-bc09-ee7d9cd091d5",
"task": "delete",
"question": "Modify the molecule CCc1cccc(C)c1NC(=O)N(C)C(C)c1ccccc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cccc(C)c1NC(=O)N(C)C(C)c1ccccc1Cl",
"ref_smiles": "CCc1cccc(C)c1NC(=O)N(C)C(C)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "61dc7c0c-084e-4f91-abf3-9edfdda326b5",
"task": "delete",
"question": "Please remove a amine from the molecule Fc1c2ncnc1Nc1cc(ncn1)Nc1ncnc(c1Cl)Nc1cc(ncn1)N2.\nPlease wrap the final SMILES in ....",
"src_smiles": "Fc1c2ncnc1Nc1cc(ncn1)Nc1ncnc(c1Cl)Nc1cc(ncn1)N2.",
"ref_smiles": "Fc1c2ncnc1Nc1cc(ncn1)-c1ncnc(c1Cl)Nc1cc(ncn1)N2",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1e0ff36a-d016-4753-bc7b-a873143c36d2",
"task": "delete",
"question": "Modify the molecule CC1(C)CC(O)(Cc2ccc(Cl)cc2)C(C)(C)O1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CC(O)(Cc2ccc(Cl)cc2)C(C)(C)O1",
"ref_smiles": "CC1(C)CC(O)(Cc2ccccc2)C(C)(C)O1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c008a561-5e6e-497a-a5ec-501d532550c2",
"task": "delete",
"question": "Modify the molecule CC([NH3+])=C(C#N)C(=O)CSc1[nH+]cc(-c2ccccc2)n1-c1ccccc1Cl by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC([NH3+])=C(C#N)C(=O)CSc1[nH+]cc(-c2ccccc2)n1-c1ccccc1Cl",
"ref_smiles": "CC([NH3+])=C(C#N)C(=O)CSc1[nH+]cc(-c2ccccc2)n1Cl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "46ab6874-1c49-4179-9f05-7ec085449776",
"task": "delete",
"question": "Modify the molecule N#Cc1cc(-c2cc(C(=O)[O-])ccn2)cc(Cl)c1N1CCCCC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1cc(-c2cc(C(=O)[O-])ccn2)cc(Cl)c1N1CCCCC1",
"ref_smiles": "N#Cc1cc(-c2cc(C(=O)[O-])ccn2)ccc1N1CCCCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9cbee5ac-3f69-48f6-a77b-a6eef76b8d26",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Bc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C(C)(O)CCN(CC)S(C)(=O)=O)CC2)cc(C)c1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "Bc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C(C)(O)CCN(CC)S(C)(=O)=O)CC2)cc(C)c1O.",
"ref_smiles": "BCOCC(OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1)C(=O)N1CCC(C(C)(O)CCN(CC)S(C)(=O)=O)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "54714b45-4ba2-4f16-b4e0-8fa770e27e51",
"task": "delete",
"question": "Modify the molecule CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C[NH+](C)CC(C)c4ccccc4)cc3)cc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C[NH+](C)CC(C)c4ccccc4)cc3)cc2)CC1",
"ref_smiles": "CCOC(=O)C1(c2ccc(-c3onc(C)c3C[NH+](C)CC(C)c3ccccc3)cc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "22c5fdb5-4c98-442a-aa34-446c27f31875",
"task": "delete",
"question": "Modify the molecule CCNC(c1ccccc1)(C(C)C)C(F)F by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(c1ccccc1)(C(C)C)C(F)F",
"ref_smiles": "CCC(c1ccccc1)(C(C)C)C(F)F",
"add_group": null,
"remove_group": "amine"
},
{
"id": "86bca3e6-4188-4d96-9fc4-5629d83bfde7",
"task": "delete",
"question": "Modify the molecule CC(=O)N1C(C(=O)NCC(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1C(C(=O)NCC(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2",
"ref_smiles": "CC(=O)N1C(C(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "501d0519-d80d-4866-8adf-647a9e878214",
"task": "delete",
"question": "Please remove a amide from the molecule CNC(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C.",
"ref_smiles": "CNC(=O)N(C(C)C)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ce4ef33f-1a22-4c4b-a43c-dac302789964",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C1SCC(c2ccccc2O)N1c1ccc(-c2nc3ccccc3s2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1SCC(c2ccccc2O)N1c1ccc(-c2nc3ccccc3s2)cc1.",
"ref_smiles": "O=C1SCC(c2ccccc2O)N1c1nc2ccccc2s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "dddcd939-cc5d-4f81-8f56-3b30b2516541",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCc1ccccc1NC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccccc1NC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1.",
"ref_smiles": "CCNC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7b6b7f6f-4422-47ec-a616-6db611d3e2d3",
"task": "delete",
"question": "Please remove a amide from the molecule CCN1CC2(CCCN(C(=O)c3coc(C[NH+]4CCOCC4)c3)C2)CCC1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN1CC2(CCCN(C(=O)c3coc(C[NH+]4CCOCC4)c3)C2)CCC1=O.",
"ref_smiles": "CC1CC2(CCCN(Cc3coc(C[NH+]4CCOCC4)c3)C2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4900c301-2bf4-4b2e-b127-c99ac9ec9563",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3nnc(-c5ccccc5)o3)C4=O)c2C(=O)N1c1ccc2[nH]c3ccc(N4C(=O)c5cccc(-c6ccc7c(c6)C(=O)N(c6nnc(-c8ccccc8Cl)o6)C7=O)c5C4=O)cc3c2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3nnc(-c5ccccc5)o3)C4=O)c2C(=O)N1c1ccc2[nH]c3ccc(N4C(=O)c5cccc(-c6ccc7c(c6)C(=O)N(c6nnc(-c8ccccc8Cl)o6)C7=O)c5C4=O)cc3c2c1.",
"ref_smiles": "O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3nnco3)C4=O)c2C(=O)N1c1ccc2[nH]c3ccc(N4C(=O)c5cccc(-c6ccc7c(c6)C(=O)N(c6nnc(-c8ccccc8Cl)o6)C7=O)c5C4=O)cc3c2c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "83e29826-8192-4dfe-8c3b-62a58b55602d",
"task": "delete",
"question": "Modify the molecule CC(C)C(N)=[NH+]c1cccc2cccnc12 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(N)=[NH+]c1cccc2cccnc12",
"ref_smiles": "CC(C)C=[NH+]c1cccc2cccnc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "37696c42-fe7c-4649-a0d3-05d1f635e008",
"task": "delete",
"question": "Modify the molecule N#CCc1cccc(Br)c1Br by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CCc1cccc(Br)c1Br",
"ref_smiles": "Cc1cccc(Br)c1Br",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "4b995de3-1281-43f9-947c-c7fa345a9639",
"task": "delete",
"question": "Please remove a amide from the molecule CC1Oc2ccccc2N(CCC(=O)NC2(C)CCS(=O)(=O)C2)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1Oc2ccccc2N(CCC(=O)NC2(C)CCS(=O)(=O)C2)C1=O.",
"ref_smiles": "CC1Oc2ccccc2N(CC2(C)CCS(=O)(=O)C2)C1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ee859e30-0c1a-44d7-accb-fb8bc35362a8",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)Cc2ccccc2)cn1C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)Cc2ccccc2)cn1C",
"ref_smiles": "CCOC(=O)c1cc(S(=O)(=O)CCC[NH+](C)Cc2ccccc2)cn1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "d21499e3-b345-444c-ab6e-8d8bc7ddb4ce",
"task": "delete",
"question": "Please remove a halo from the molecule Clc1ccc2sc(-c3ccc4c(c3)NCC4)nc2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Clc1ccc2sc(-c3ccc4c(c3)NCC4)nc2c1.",
"ref_smiles": "c1ccc2sc(-c3ccc4c(c3)NCC4)nc2c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5b59507a-1382-4519-8fec-301058c898e8",
"task": "delete",
"question": "Modify the molecule O=C(CC1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1",
"ref_smiles": "O=S(=O)(c1ccc(F)cc1)N1CCc2ccccc2C1CCC1=CCCCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "62ba06e7-9d21-4b06-8713-e59220db2bba",
"task": "delete",
"question": "Please remove a amine from the molecule CCc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1.",
"ref_smiles": "CCc1ccc(C(N)c2cc3cc(Cl)ccc3o2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "398619de-3635-4720-93d7-7d7d91313659",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CN(Cc1ccccc1Br)C(=O)CCn1ccc2ccccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1ccccc1Br)C(=O)CCn1ccc2ccccc21.",
"ref_smiles": "CN(CBr)C(=O)CCn1ccc2ccccc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "952182de-d40b-4152-9745-99399979b81e",
"task": "delete",
"question": "Please remove a amine from the molecule NC(=[NH2+])c1ccc(OCCCCCCCCCCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=[NH2+])c1ccc(OCCCCCCCCCCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1.",
"ref_smiles": "NC(=[NH2+])c1ccc(OCCCCCCCCCCCCOc2ccc(C=[NH2+])cc2Br)c(Br)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "388292a0-e509-4f4a-b859-c08e56c98a91",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[Si](C)(C)CC(Cc1ccccc1Br)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "C[Si](C)(C)CC(Cc1ccccc1Br)C(=O)[O-].",
"ref_smiles": "C[Si](C)(C)CC(CBr)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "212352db-c196-42d5-869c-53814db019e7",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc(S(=O)(=O)OCCc2ccccc2I)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)OCCc2ccccc2I)cc1.",
"ref_smiles": "Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "35bf0bd8-b1f6-48d5-aa49-b305a32f2b6e",
"task": "delete",
"question": "Modify the molecule Nc1ncccc1C[NH+]1CC2CCC1C2 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ncccc1C[NH+]1CC2CCC1C2",
"ref_smiles": "c1cncc(C[NH+]2CC3CCC2C3)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "88fb0c75-3aa5-4b69-b9f1-563cf7868c5a",
"task": "delete",
"question": "Modify the molecule C[NH+](C)Cc1cc(CC2CC([NH2+]Cc3ccccc3O)C2(C)C)no1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)Cc1cc(CC2CC([NH2+]Cc3ccccc3O)C2(C)C)no1",
"ref_smiles": "C[NH+](C)Cc1cc(CC2CC([NH2+]CO)C2(C)C)no1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d236a167-be8b-4bf7-baea-d11fba2b5e35",
"task": "delete",
"question": "Modify the molecule CC(=O)N1Cc2cccc(CC[N+](=O)c3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2C1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1Cc2cccc(CC[N+](=O)c3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2C1",
"ref_smiles": "CC(=O)Nc1ccc(CCCCc2nnc([N+](=O)CCc3cccc4c3CN(C(C)=O)C4)s2)nn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fa37b86b-9f42-4240-af2c-eae10087c1c3",
"task": "delete",
"question": "Modify the molecule O=C1[NH+]=C(Nc2cccc(C(=O)[O-])c2)SC1=Cc1ccc([N+](=O)[O-])o1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1[NH+]=C(Nc2cccc(C(=O)[O-])c2)SC1=Cc1ccc([N+](=O)[O-])o1",
"ref_smiles": "O=C([O-])c1cccc(NC(S)Cc2ccc([N+](=O)[O-])o2)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6c0ec257-92f2-4462-aeec-b42f164fb984",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOC(C)(Cc1ccccc1C)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(C)(Cc1ccccc1C)C(=O)[O-].",
"ref_smiles": "CCOC(C)(CC)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d9191714-a68e-4a06-962d-f92104cebb1b",
"task": "delete",
"question": "Modify the molecule FC(F)(F)c1cccc(C(Br)Cc2cccc(Br)c2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "FC(F)(F)c1cccc(C(Br)Cc2cccc(Br)c2)c1",
"ref_smiles": "FC(F)(F)C(Br)Cc1cccc(Br)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9ca0de62-1761-4578-9d58-8c115779ed5d",
"task": "delete",
"question": "Modify the molecule Cc1cccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c1O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c1O",
"ref_smiles": "Cc1cccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "963edb15-72cd-464a-abe1-b490474f22e5",
"task": "delete",
"question": "Modify the molecule CN(Cc1cc(F)cc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1cc(F)cc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O",
"ref_smiles": "CN(Cc1cc(F)cc2cccnc12)c1cn(Cc2ccccc2)c(=O)[nH]c1=O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b1c2f407-f717-4ae6-9cec-81504cd2850c",
"task": "delete",
"question": "Please remove a halo from the molecule CC1CC(C)(C)CC(Cc2ccc(F)cc2)(OCC[NH+](C)C)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC(C)(C)CC(Cc2ccc(F)cc2)(OCC[NH+](C)C)C1.",
"ref_smiles": "CC1CC(C)(C)CC(Cc2ccccc2)(OCC[NH+](C)C)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "637fc3a4-e407-437a-9890-02b6ca4b66a6",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1",
"ref_smiles": "CCOC(=O)c1ccc(OC=O)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2954fa31-40ea-437a-aee2-ab579ed42ebd",
"task": "delete",
"question": "Modify the molecule O=C(CN1CSCC1=O)Nc1ccccc1N1CCCCCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CN1CSCC1=O)Nc1ccccc1N1CCCCCC1",
"ref_smiles": "O=C1CSCN1c1ccccc1N1CCCCCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "76601756-e681-4799-a559-b3ccd964af5c",
"task": "delete",
"question": "Please remove a halo from the molecule CCCCn1c[n+](CCC(F)(F)F)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCn1c[n+](CCC(F)(F)F)cn1.",
"ref_smiles": "CCCCn1c[n+](CCC(F)F)cn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1ae8ba79-0ba3-4b2c-b4f1-30e353eebe6f",
"task": "delete",
"question": "Please remove a nitrile from the molecule N#CCc1sc2ccc(CBr)cc2c1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CCc1sc2ccc(CBr)cc2c1O.",
"ref_smiles": "Cc1sc2ccc(CBr)cc2c1O",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "50c8c23a-96fe-4998-b77f-8386d6b7a9d4",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1.",
"ref_smiles": "Cc1cc(C(O)c2cccc(OC(F)F)c2)c(C)nn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "dc062a0d-49f0-4f61-8d8d-4cce6c820ff9",
"task": "delete",
"question": "Modify the molecule NNC(=O)c1cccc(CSCC(O)CO)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "NNC(=O)c1cccc(CSCC(O)CO)n1",
"ref_smiles": "NC(=O)c1cccc(CSCC(O)CO)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6cbcf6bb-63da-4688-9b74-9f9a081ba63e",
"task": "delete",
"question": "Please remove a halo from the molecule CCCc1cccc(C(O)c2ccc(Cl)o2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCc1cccc(C(O)c2ccc(Cl)o2)c1.",
"ref_smiles": "CCCc1cccc(C(O)c2ccco2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "376736a2-a110-4e7d-ae8d-9e83c4fce482",
"task": "delete",
"question": "Please remove a nitrile from the molecule CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C.",
"ref_smiles": "CCCn1c(C)cc(C=CC(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "e431a7d7-af73-47c6-9e68-cc871233e037",
"task": "delete",
"question": "Please remove a amine from the molecule CCOCCN(C)c1ccc(N)c(C#N)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOCCN(C)c1ccc(N)c(C#N)c1.",
"ref_smiles": "CCOCCN(C)c1cccc(C#N)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "93438a92-b5a4-42cf-bcbe-37c4b53ec92e",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc(CO)cc1S(=O)(=O)NCCOCC1CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CO)cc1S(=O)(=O)NCCOCC1CC1.",
"ref_smiles": "Cc1ccc(CO)cc1S(=O)(=O)CCOCC1CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "3d6dccb3-71d7-444a-9b24-49843b85735e",
"task": "delete",
"question": "Modify the molecule CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(NCCC[NH2+]C(C)C)c2)C3)nc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(NCCC[NH2+]C(C)C)c2)C3)nc1",
"ref_smiles": "CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(CCC[NH2+]C(C)C)c2)C3)nc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "d78ff5f0-bcce-44bb-b281-b2e09c8eb3c6",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C#CCOc1ccccc1C[NH2+]C(C)c1ccsc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCOc1ccccc1C[NH2+]C(C)c1ccsc1.",
"ref_smiles": "C#CCOC[NH2+]C(C)c1ccsc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0a9ec780-1797-4683-95d5-bfd19771f654",
"task": "delete",
"question": "Modify the molecule CCC(CC(OP(=O)([O-])Cc1ccccc1)C(=O)[O-])c1cccc2ccccc12 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(CC(OP(=O)([O-])Cc1ccccc1)C(=O)[O-])c1cccc2ccccc12",
"ref_smiles": "CCC(CC(OP(C)(=O)[O-])C(=O)[O-])c1cccc2ccccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "17151480-9658-44d3-b8c2-7c7f28422607",
"task": "delete",
"question": "Modify the molecule CC([NH3+])CCCCOc1cccc(F)c1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC([NH3+])CCCCOc1cccc(F)c1F",
"ref_smiles": "CC([NH3+])CCCCOc1cccc(F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "19f79016-c7af-41c7-bf45-527f6a598227",
"task": "delete",
"question": "Modify the molecule CC(C)(C)N(C(=O)[O-])C1CC(N2Cc3cn[nH]c3C2)C[NH+](CCc2ccccn2)C1c1cc(F)ccc1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)N(C(=O)[O-])C1CC(N2Cc3cn[nH]c3C2)C[NH+](CCc2ccccn2)C1c1cc(F)ccc1F",
"ref_smiles": "CC(C)(C)N(C(=O)[O-])C1CC(N2Cc3cn[nH]c3C2)C[NH+](CCc2ccccn2)C1c1ccccc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ebadd816-4077-43f5-ac7e-201ade6447bf",
"task": "delete",
"question": "Please remove a halo from the molecule NC(=S)c1cc(F)c(Nc2ccc(F)c(F)c2)c(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=S)c1cc(F)c(Nc2ccc(F)c(F)c2)c(F)c1.",
"ref_smiles": "NC(=S)c1cc(F)c(Nc2ccc(F)cc2)c(F)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "43e7f6a5-1f31-46a6-9c84-c6a5b13d22e7",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCC(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCC(=O)[O-].",
"ref_smiles": "Cc1nc2nc(C(F)F)nn2c(C)c1CCC(=O)NCCCC(=O)[O-].",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3284ff23-ec22-4252-a968-e8e69b8fcd17",
"task": "delete",
"question": "Modify the molecule C#CCc1ccc(Br)c(Oc2cccnc2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCc1ccc(Br)c(Oc2cccnc2)c1",
"ref_smiles": "C#CC(Br)Oc1cccnc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "81685397-c4b7-47ea-a8e7-ac1209a6dae6",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH+](C)Cc1ccc(-c2ccc(CCC(=O)c3ncc(-c4cccc(OC(=O)[O-])n4)o3)cc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)Cc1ccc(-c2ccc(CCC(=O)c3ncc(-c4cccc(OC(=O)[O-])n4)o3)cc2)cc1.",
"ref_smiles": "C[NH+](C)Cc1ccc(CCC(=O)c2ncc(-c3cccc(OC(=O)[O-])n3)o2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7c417477-a45c-4e28-bf0c-3275ef22a8c7",
"task": "delete",
"question": "Modify the molecule [NH3+]C(Cc1ccc(O)c(O)c1)C(=O)OC1CCCCCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C(Cc1ccc(O)c(O)c1)C(=O)OC1CCCCCC1",
"ref_smiles": "[NH3+]C(C)C(=O)OC1CCCCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b43ac132-fc5c-445b-a5bf-c79f89b614d3",
"task": "delete",
"question": "Modify the molecule Nc1c(C(=O)[O-])sc2nc(N3CCC([NH2+]CC(O)c4ccc5nc(Cc6ccccc6)[nH]c5c4)CC3)cc(C(F)(F)F)c12 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1c(C(=O)[O-])sc2nc(N3CCC([NH2+]CC(O)c4ccc5nc(Cc6ccccc6)[nH]c5c4)CC3)cc(C(F)(F)F)c12",
"ref_smiles": "Cc1nc2ccc(C(O)C[NH2+]C3CCN(c4cc(C(F)(F)F)c5c(N)c(C(=O)[O-])sc5n4)CC3)cc2[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d1858da9-9a4b-42a6-8593-fd47557f362a",
"task": "delete",
"question": "Modify the molecule CCCCN1C(=O)CC(C(=O)OC)C1(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCN1C(=O)CC(C(=O)OC)C1(C)C",
"ref_smiles": "CCCC1C(C(=O)OC)C1(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "51bd6968-4569-4441-a824-4f47ae22cc7c",
"task": "delete",
"question": "Modify the molecule COc1cc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC(C)=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC(C)=O",
"ref_smiles": "COc1cc(C2C(C)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC(C)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "70993725-ca0e-436f-a4c7-7b9831e9ab48",
"task": "delete",
"question": "Modify the molecule CN(Cc1ccccc1)c1c(F)cc(N2CC(N(C)C(=O)[O-])OC2=O)cc1CCO by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(Cc1ccccc1)c1c(F)cc(N2CC(N(C)C(=O)[O-])OC2=O)cc1CCO",
"ref_smiles": "CCc1cc(N2CC(N(C)C(=O)[O-])OC2=O)cc(F)c1N(C)Cc1ccccc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "fb7238a2-8d19-48ac-823b-1eda3d431cd0",
"task": "delete",
"question": "Modify the molecule COc1cc(C2CCC[NH2+]2)cc(Br)c1OCC1CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C2CCC[NH2+]2)cc(Br)c1OCC1CC1",
"ref_smiles": "COc1cc(C2CCC[NH2+]2)ccc1OCC1CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "73180235-e5ba-4c5f-bf4c-e30d57cd62cd",
"task": "delete",
"question": "Modify the molecule Cc1ccc2cccc(Oc3ncnc(NCc4ccccc4)c3N)c2n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2cccc(Oc3ncnc(NCc4ccccc4)c3N)c2n1",
"ref_smiles": "Cc1ccc2cccc(Oc3cc(NCc4ccccc4)ncn3)c2n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "95e3262a-80e4-4db0-971b-b7d2db5694a3",
"task": "delete",
"question": "Please remove a amide from the molecule CN1C(=O)CC(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1c1ccnn1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN1C(=O)CC(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1c1ccnn1C.",
"ref_smiles": "CN1C(=O)CC1(CC[NH+]1CCOC(C)(C)C1)c1ccnn1C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "278d7b8f-41c6-473a-add8-4cdcfc5bb31e",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3C([NH3+])C(n4cc(C)c(=O)[nH]c4=O)OC3(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(N)=O)O2)c(=O)[nH]c1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3C([NH3+])C(n4cc(C)c(=O)[nH]c4=O)OC3(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(N)=O)O2)c(=O)[nH]c1=O.",
"ref_smiles": "Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]cnc54)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3C([NH3+])C(n4cc(C)c(=O)[nH]c4=O)OC3(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(N)=O)O2)c(=O)[nH]c1=O",
"add_group": null,
"remove_group": "amine"
},
{
"id": "de867692-74b9-401e-90b1-ac8bb331c4f9",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(CCCl)NCc1cccc2cccnc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCCl)NCc1cccc2cccnc12.",
"ref_smiles": "ClCCc1cccc2cccnc12",
"add_group": null,
"remove_group": "amide"
},
{
"id": "285eb3e3-4a73-4348-b137-11cae1ccfb8f",
"task": "delete",
"question": "Modify the molecule COc1ccccc1-n1cnc(CC(=O)[O-])n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1-n1cnc(CC(=O)[O-])n1",
"ref_smiles": "COn1cnc(CC(=O)[O-])n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f6dd5515-24b4-4695-b41c-3f56b0b9dc2d",
"task": "delete",
"question": "Modify the molecule Cc1ccccc1N1CC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1N1CC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O",
"ref_smiles": "CN1CC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "905cdd57-7b97-4d80-b9b7-757f8f06bc5c",
"task": "delete",
"question": "Modify the molecule CC(=O)c1ccc(S(=O)(=O)NCCc2ccco2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)c1ccc(S(=O)(=O)NCCc2ccco2)cc1",
"ref_smiles": "CC(=O)S(=O)(=O)NCCc1ccco1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7fb465b4-dbd9-4a9f-8ae5-d44cf3907b9f",
"task": "delete",
"question": "Modify the molecule COc1ccc(C(NC(=O)Cn2cnc3c(C)csc3c2=O)C2CC2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C(NC(=O)Cn2cnc3c(C)csc3c2=O)C2CC2)cc1",
"ref_smiles": "COC(NC(=O)Cn1cnc2c(C)csc2c1=O)C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "338f7141-5bbc-4f7c-9e82-c7a072e68ae5",
"task": "delete",
"question": "Modify the molecule Cn1nccc1CNC(=O)NCCCC(=O)N1CCc2ccccc21 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1nccc1CNC(=O)NCCCC(=O)N1CCc2ccccc21",
"ref_smiles": "Cn1nccc1CNC(=O)NCCC1Cc2ccccc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6336194e-d096-4b92-9842-ce16789d8a8c",
"task": "delete",
"question": "Modify the molecule COc1cc(N)ccc1NC(=O)c1ccccc1OC(C)C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(N)ccc1NC(=O)c1ccccc1OC(C)C",
"ref_smiles": "COc1ccccc1NC(=O)c1ccccc1OC(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "2e9160d4-8429-489a-a490-4ad296688d5c",
"task": "delete",
"question": "Modify the molecule COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1",
"ref_smiles": "COc1ccccc1C1(C(=O)NCc2ccoc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "aa08994d-550e-4a04-b5fa-77a4f41b6ab0",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c(C)c1",
"ref_smiles": "Cc1ccc(C2=C(SCl)C(=O)N(c3ccccc3)C2=O)c(C)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "904d71cd-7b0d-42a9-bb0b-ed196cba93e0",
"task": "delete",
"question": "Please remove a halo from the molecule C[NH+](C)CCCOc1ncc(I)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CCCOc1ncc(I)cn1.",
"ref_smiles": "C[NH+](C)CCCOc1ncccn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3666f104-d61e-4884-a27e-9eb969700c17",
"task": "delete",
"question": "Please remove a halo from the molecule CCC(C)NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(C)c1.",
"ref_smiles": "CCC(C)NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(F)F)cc3)CC2)c(C)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1f5a1f59-eb57-4ce5-b66b-17b2a3f92734",
"task": "delete",
"question": "Modify the molecule COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1OC by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1OC",
"ref_smiles": "CONC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6d7706c6-2398-4c46-8a56-1b89f557eecf",
"task": "delete",
"question": "Modify the molecule CC(C)CC1(CN2CC(=O)NC(C3CC3)C2=O)CCCC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CC1(CN2CC(=O)NC(C3CC3)C2=O)CCCC1",
"ref_smiles": "CC(C)CC1(C2CC(=O)NC23CC3)CCCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bcd357fa-60b7-43fb-ba5c-9f3750ddd3e0",
"task": "delete",
"question": "Please remove a amine from the molecule FC(F)c1nc(NCc2ccc[nH]2)c2ccccc2n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "FC(F)c1nc(NCc2ccc[nH]2)c2ccccc2n1.",
"ref_smiles": "FC(F)c1nc(Cc2ccc[nH]2)c2ccccc2n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "cb901d2f-b3c7-4065-9296-c56aa47d761c",
"task": "delete",
"question": "Modify the molecule Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(CCOC(=O)C(C)(C)C)=C2c2ccccc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(CCOC(=O)C(C)(C)C)=C2c2ccccc2)cc1",
"ref_smiles": "Cc1ccc(S(=O)(=O)N2C=C(CCOC(=O)C(C)(C)C)C(c3ccccc3)C2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0c9ce389-5019-4189-9861-088f7d7bbd3b",
"task": "delete",
"question": "Modify the molecule CC1(O)CCC2(CC1)C(=O)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc12 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(O)CCC2(CC1)C(=O)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc12",
"ref_smiles": "CC1CCC2(CC1)C(=O)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "4b0f1f9b-29cb-4f13-b5af-43841a59cf76",
"task": "delete",
"question": "Please remove a halo from the molecule Nc1cc(Oc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1cc(Oc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1.",
"ref_smiles": "Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4b4b46cf-e259-41cf-b582-bef56afbc1a1",
"task": "delete",
"question": "Modify the molecule O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)Nc1ccc(Cl)cn1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)Nc1ccc(Cl)cn1",
"ref_smiles": "O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)Nc1ccccn1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2b20a800-6e71-4100-b7c1-2bbb531bbeda",
"task": "delete",
"question": "Modify the molecule CCC1CCC(O)(CNC(=O)C2CNC(=O)C[NH2+]2)CC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CCC(O)(CNC(=O)C2CNC(=O)C[NH2+]2)CC1",
"ref_smiles": "CCC1CCC(CNC(=O)C2CNC(=O)C[NH2+]2)CC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5ff138f9-fab9-4be1-8a04-c2986b1b7c63",
"task": "delete",
"question": "Modify the molecule O=S(=O)(c1cccc(F)c1)N1CCC(c2noc(-c3ccc(Cl)cc3)n2)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(c1cccc(F)c1)N1CCC(c2noc(-c3ccc(Cl)cc3)n2)CC1",
"ref_smiles": "O=S(=O)(c1cccc(F)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5f59a562-479e-4e90-9922-7c7f34106eeb",
"task": "delete",
"question": "Please remove a halo from the molecule CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1.",
"ref_smiles": "CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(F)F)cc2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8fd077f2-6acc-4408-9b4c-cbcc69cfe997",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(C)C(c1ccccc1)C(Cc1cn(C)nn1)NN.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)C(c1ccccc1)C(Cc1cn(C)nn1)NN.",
"ref_smiles": "CCC(C)CC(Cc1cn(C)nn1)NN",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6174717a-bb89-4006-a004-c3617cb18593",
"task": "delete",
"question": "Modify the molecule C=CCN(CCO)C(=O)CNC(=O)c1ccc(C)s1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCN(CCO)C(=O)CNC(=O)c1ccc(C)s1",
"ref_smiles": "C=CCN(CC)C(=O)CNC(=O)c1ccc(C)s1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "de1bb7e2-81df-46e0-951e-6710e36fefbf",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(C=Cc1cccc2ccccc12)NCC1CCN(c2ccccc2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C=Cc1cccc2ccccc12)NCC1CCN(c2ccccc2)C1.",
"ref_smiles": "c1ccc(N2CCC(CCc3cccc4ccccc34)C2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "684010bb-d211-4111-a851-2c5f086b63c6",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2C[NH3+])n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2C[NH3+])n1.",
"ref_smiles": "Cc1ccc2(-c3ncccn3)CCCC(C)C2(C[NH3+])n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "90c44b2f-eead-4a90-b723-6d886b7e5d71",
"task": "delete",
"question": "Modify the molecule CCCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1",
"ref_smiles": "CCCSc1nnc(NC(=O)c2ccnc(SCC)n2)s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "17458fe8-5e2b-4894-9a58-334380cb7415",
"task": "delete",
"question": "Please remove a halo from the molecule CC1(C)CCC(C)(C)c2c(Br)csc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCC(C)(C)c2c(Br)csc21.",
"ref_smiles": "CC1(C)CCC(C)(C)c2sccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "abbddd96-6007-49ce-a526-1731b1be82a4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)OCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)OCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.",
"ref_smiles": "CC(C)OCCCNC(=O)c1ccc(C(F)(F)F)o1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fd74ca37-ea71-4574-84be-6e8716dbb35d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccccc1C[NH+](CC1CCCO1)C1CCN(C(=O)C2CC2)C(C(=O)NC2CCC([NH3+])CC2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1C[NH+](CC1CCCO1)C1CCN(C(=O)C2CC2)C(C(=O)NC2CCC([NH3+])CC2)C1.",
"ref_smiles": "CC[NH+](CC1CCCO1)C1CCN(C(=O)C2CC2)C(C(=O)NC2CCC([NH3+])CC2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7a7b9e4c-7d9d-4089-afc0-1fa8e7fb1cf6",
"task": "delete",
"question": "Modify the molecule [NH3+]C1C(Cl)=C(C(=O)[O-])N=CC1(Cl)Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C1C(Cl)=C(C(=O)[O-])N=CC1(Cl)Cl",
"ref_smiles": "[NH3+]C1C=C(C(=O)[O-])N=CC1(Cl)Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ff4214cd-aee7-484a-ab71-bb0f3a486c50",
"task": "delete",
"question": "Modify the molecule CCC[NH2+]C(CC[NH+](CC)C(C)C)c1cccc(C)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]C(CC[NH+](CC)C(C)C)c1cccc(C)c1",
"ref_smiles": "CCC[NH2+]C(C)CC[NH+](CC)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "dfdd037c-edde-48cc-a249-e604394a8097",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)c1.",
"ref_smiles": "Cc1cc(C)c(S(=O)(=O)N2CCC2C2CCCN(S(C)(=O)=O)C2)c(C)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "27a7cf80-498d-49cd-87cd-c9cadf78eb07",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(COCc1ccccc1)NC(=O)C(CO)NC(=O)CCCNC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(COCc1ccccc1)NC(=O)C(CO)NC(=O)CCCNC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O.",
"ref_smiles": "CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(COCc1ccccc1)NC(=O)C(C)NC(=O)CCCNC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "93ea80e5-991e-4668-91f0-4ced3a173566",
"task": "delete",
"question": "Please remove a halo from the molecule CCc1[nH]c(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3F)CC2OC)nc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1[nH]c(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3F)CC2OC)nc1Cl.",
"ref_smiles": "CCc1cnc(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3F)CC2OC)[nH]1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7833aa9c-647b-48eb-b4f0-63f7682a15f1",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC1=O.",
"ref_smiles": "CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=O)NC(=O)C(C)NC(=O)C(Cc2cnc[nH]2)NC1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "df1aa995-9903-46de-8615-6eef4b5b10fe",
"task": "delete",
"question": "Please remove a nitrile from the molecule Cc1cccc(C)c1NC1=[NH+]C(=O)C(=Cc2ccccc2OCC#N)S1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(C)c1NC1=[NH+]C(=O)C(=Cc2ccccc2OCC#N)S1.",
"ref_smiles": "COc1ccccc1C=C1SC(Nc2c(C)cccc2C)=[NH+]C1=O",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "d3996550-f689-42f2-b46a-8b376b85b86b",
"task": "delete",
"question": "Please remove a nitrile from the molecule Cc1ccccc1COc1nn(Cc2ccccc2C)c(N)c1C#N.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1COc1nn(Cc2ccccc2C)c(N)c1C#N.",
"ref_smiles": "Cc1ccccc1COc1cc(N)n(Cc2ccccc2C)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "3b17de3a-5506-4058-8b20-a75c620a79d3",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(COc1ccccc1)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(COc1ccccc1)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2.",
"ref_smiles": "O=C(CO)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "eab8370e-6120-4b5c-b404-466da6d4f4bd",
"task": "delete",
"question": "Modify the molecule O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1",
"ref_smiles": "O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCN1C(=O)c1cccc(Cl)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "c91179ad-d9d2-4c3f-8ebf-23c7ede17274",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C(=O)C2CCC(C3CCC(C)CC3)OC2)c(F)c1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)C2CCC(C3CCC(C)CC3)OC2)c(F)c1Cl",
"ref_smiles": "Cc1ccc(C(=O)C2CCC(C3CCC(C)CC3)OC2)cc1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d8c2b182-fe45-406d-880f-23e1124c0ac9",
"task": "delete",
"question": "Please remove a halo from the molecule CCC1(F)CC[NH+](Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccc(F)cc7)cncc6[nH]5)c4c3)c2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(F)CC[NH+](Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccc(F)cc7)cncc6[nH]5)c4c3)c2)C1.",
"ref_smiles": "CCC1CC[NH+](Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccc7)cncc6[nH]5)c4c3)c2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4be3bdb9-a078-4388-9884-ea9fd1fb5c49",
"task": "delete",
"question": "Modify the molecule CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2cc(Br)ccc21 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2cc(Br)ccc21",
"ref_smiles": "CC(C)n1c(-c2cccc(Cl)c2)nc2cc(Br)ccc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5abf2cec-c6a4-4fbf-b49a-857295ecbc78",
"task": "delete",
"question": "Please remove a halo from the molecule COCc1ccccc1CCC(Cl)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCc1ccccc1CCC(Cl)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.",
"ref_smiles": "COCc1ccccc1CCCc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f48f5447-000f-440a-b5a5-daf1056900d1",
"task": "delete",
"question": "Modify the molecule CCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2",
"ref_smiles": "CCNC(=S)NC(CC)c1ccc2c(c1)CCCC2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8bbd1214-3eb4-46c5-b8ec-f06cabc6893a",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(N)nc(C)c1CNc1noc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(N)nc(C)c1CNc1noc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc12.",
"ref_smiles": "Cc1cc(N)nc(C)c1CNc1noc2cnc(Cc3ccc4ncccc4c3)cc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9c8a4218-9c32-4456-b65f-f1ff048ac68e",
"task": "delete",
"question": "Please remove a amine from the molecule NC(=[NH+]O)OC12CC3CC(CC(C3)C1=O)C2.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=[NH+]O)OC12CC3CC(CC(C3)C1=O)C2.",
"ref_smiles": "O=C1C2CC3CC(C2)CC1(OC=[NH+]O)C3",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b13870e7-ab7e-43c4-b9d5-f7236f77467e",
"task": "delete",
"question": "Modify the molecule COc1ccc(CN2CCOc3nc(-c4cc5ccccc5o4)ncc3C2=O)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CN2CCOc3nc(-c4cc5ccccc5o4)ncc3C2=O)cc1",
"ref_smiles": "COCN1CCOc2nc(-c3cc4ccccc4o3)ncc2C1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ed2fd0cc-4feb-48bb-8df1-d4ded8a41c99",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c23)s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c23)s1.",
"ref_smiles": "Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c23)s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "336ea881-cfc2-4bd5-8087-bf236777905c",
"task": "delete",
"question": "Modify the molecule CCNc1ccc(Cl)c(C[NH+]2CC(CO)OC(C)(C)C2)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNc1ccc(Cl)c(C[NH+]2CC(CO)OC(C)(C)C2)n1",
"ref_smiles": "CCNc1cccc(C[NH+]2CC(CO)OC(C)(C)C2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0a220a1e-299a-4898-a46c-0fad0db282cb",
"task": "delete",
"question": "Modify the molecule CCC1CCC(C#N)C(N(C)C(C)CC)C1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CCC(C#N)C(N(C)C(C)CC)C1",
"ref_smiles": "CCC1CCCC(N(C)C(C)CC)C1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "29b25230-8a3f-4ca6-9a3d-890086a65a64",
"task": "delete",
"question": "Modify the molecule CCCC(C)Nc1nccc(C(C#N)c2nc(C)cs2)n1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC(C)Nc1nccc(C(C#N)c2nc(C)cs2)n1",
"ref_smiles": "CCCC(C)Nc1nccc(Cc2nc(C)cs2)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "85949268-26cc-4440-a6d9-20754c6858c0",
"task": "delete",
"question": "Please remove a amide from the molecule CCc1nc(C(=O)NC(C)C[NH+]2CCOCC2)n[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(C(=O)NC(C)C[NH+]2CCOCC2)n[nH]1.",
"ref_smiles": "CCc1n-n(C(C)C[NH+]2CCOCC2)[nH]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "9a98b28b-15a0-43a5-acab-3fdcaa68f8bb",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=c1[nH]c(=O)n(C2(C3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=c1[nH]c(=O)n(C2(C3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)cc1F.",
"ref_smiles": "O=c1[nH]c(=O)n(C2(C3OC(CO)C(O)C(O)C3O)CC(O)C(CO)O2)cc1F",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b7ad73b3-0e94-4ee5-b7e0-d5370701d0a4",
"task": "delete",
"question": "Modify the molecule Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1nc3ccccc3s1)CO2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1nc3ccccc3s1)CO2",
"ref_smiles": "Cc1ccc2c(c1)-c1c(cnn1-c1nc3ccccc3s1)CO2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "f2d5e188-ef4b-427f-881a-9a13af669c7f",
"task": "delete",
"question": "Modify the molecule Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccccc2)C(O)c2ccccc2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccccc2)C(O)c2ccccc2)cc1",
"ref_smiles": "Cc1ccc(S(=O)(=O)C(C(=O)Oc2ccccc2)C(O)c2ccccc2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "66df39fa-6a7c-4b08-a0d1-71113e2e2569",
"task": "delete",
"question": "Modify the molecule CN(C)c1ccc(CN(CC(O)COc2ccc(F)cc2)c2ccccn2)cc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)c1ccc(CN(CC(O)COc2ccc(F)cc2)c2ccccn2)cc1",
"ref_smiles": "CN(C)c1ccc(CN(CCCOc2ccc(F)cc2)c2ccccn2)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e9df474c-0df9-4266-94d9-84da039c4e5a",
"task": "delete",
"question": "Modify the molecule CCCCCN(C(N)=[NH2+])c1cc2ccccc2[nH]1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCN(C(N)=[NH2+])c1cc2ccccc2[nH]1",
"ref_smiles": "CCCCCN(C=[NH2+])c1cc2ccccc2[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e1b14f4d-c799-4446-ab96-25b0d27b8ef8",
"task": "delete",
"question": "Please remove a amine from the molecule O=C(NCCc1ccccc1)c1cccc2c1NCCN2.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCCc1ccccc1)c1cccc2c1NCCN2.",
"ref_smiles": "O=C(NCCc1ccccc1)c1cccc2c1NCC2",
"add_group": null,
"remove_group": "amine"
},
{
"id": "899eabc5-7664-4ac5-b098-6b0ba3a23579",
"task": "delete",
"question": "Modify the molecule O=C(OC12CCN3C(=O)OCC3C1CCC(O)C2O)c1ccccc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(OC12CCN3C(=O)OCC3C1CCC(O)C2O)c1ccccc1",
"ref_smiles": "O=C(OC12CCN3C(=O)OCC3C1CCCC2O)c1ccccc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "bcaa0c6a-6ba1-42bf-ab24-9925c2188664",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1nc(-c2cccnc2)nc(NC2CC(C)[NH+](C3CC3)C2)c1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(-c2cccnc2)nc(NC2CC(C)[NH+](C3CC3)C2)c1C.",
"ref_smiles": "Cc1nc(-c2cccnc2)nc(C2CC(C)[NH+](C3CC3)C2)c1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a78da731-1455-4ecd-9df3-1dd7b354eeea",
"task": "delete",
"question": "Modify the molecule O=C1C=CC2=CC=C(O)C=CC1C2 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1C=CC2=CC=C(O)C=CC1C2",
"ref_smiles": "O=C1C=CC2=CC=CC=CC1C2",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e9af1afe-747e-42ea-9928-5a9eb784eb86",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(C[NH+](Cc2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)C(C)c2ccccc2)c(OC)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C[NH+](Cc2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)C(C)c2ccccc2)c(OC)c1.",
"ref_smiles": "CC[NH+](Cc1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1)Cc1ccc(OC)cc1OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b825a5c2-2ff8-4637-9f06-088fbd7b504d",
"task": "delete",
"question": "Modify the molecule CCn1nccc1CN(C)c1nc(N)nc2c1nc(C)n2C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1nccc1CN(C)c1nc(N)nc2c1nc(C)n2C",
"ref_smiles": "CCn1nccc1CN(C)c1ncnc2c1nc(C)n2C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a4017fa6-c2b0-4ade-b8ec-c62e8b743b88",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cc(O)c2c(c1)C(=O)OC2C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(O)c2c(c1)C(=O)OC2C(=O)[O-].",
"ref_smiles": "Cc1ccc2c(c1)C(=O)OC2C(=O)[O-]",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "a9e8992d-fd81-436d-975a-50d11db4866a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1c(-c2ccccc2)ncc2c(=O)[nH][nH]c(=O)c12.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(-c2ccccc2)ncc2c(=O)[nH][nH]c(=O)c12.",
"ref_smiles": "Cc1cncc2c(=O)[nH][nH]c(=O)c12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9555e63b-7a42-41fe-8f73-b3fa7b8cef15",
"task": "delete",
"question": "Modify the molecule O=C(C=Cc1ccccc1)NC(=Cc1ccc(Cl)cc1)C(=O)N1CCOCC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C=Cc1ccccc1)NC(=Cc1ccc(Cl)cc1)C(=O)N1CCOCC1",
"ref_smiles": "O=C(C=Cc1ccccc1)NC(=Cc1ccccc1)C(=O)N1CCOCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "93cde473-644c-4be0-8360-68a1aaf49f6a",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCCC1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCCC1C.",
"ref_smiles": "Cc1cc(Cl)cc(S(=O)(=O)NC2CCCCC2C)c1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "f55dfd66-882a-4025-a25c-8f3589202245",
"task": "delete",
"question": "Please remove a amide from the molecule Nc1nncc(-c2cccnc2)c1C(=O)Nc1nn[n-]n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1nncc(-c2cccnc2)c1C(=O)Nc1nn[n-]n1.",
"ref_smiles": "Nc1(-c2nn[n-]n2)nncc-1-c1cccnc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "c9a31b5b-82b5-40a5-8c73-565735461a7b",
"task": "delete",
"question": "Modify the molecule Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(O)c3)c1C2 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(O)c3)c1C2",
"ref_smiles": "Cc1ncc(CO)c2c1Oc1nc(N)nc(SCC(=O)Nc3cccc(O)c3)c1C2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "90cf8010-0e29-4d7f-b000-951f3000eacc",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOC(=O)C(OC(C)C)C(c1cc(OCOCCOC)ccc1[N+](=O)[O-])N(C(=O)OCc1ccccc1)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C(OC(C)C)C(c1cc(OCOCCOC)ccc1[N+](=O)[O-])N(C(=O)OCc1ccccc1)C(C)C.",
"ref_smiles": "CCOC(=O)C(OC(C)C)C(c1cc(OCOCCOC)ccc1[N+](=O)[O-])N(C(=O)OC)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8067cb4b-11db-4436-8fcf-553e5dda9601",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cccc(Cn2c(C)cc(C)c2C(=O)NCc2cccnc2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(Cn2c(C)cc(C)c2C(=O)NCc2cccnc2)c1.",
"ref_smiles": "CCn1c(C)cc(C)c1C(=O)NCc1cccnc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b56f150f-820d-4a39-8de0-b8d3e3a25515",
"task": "delete",
"question": "Please remove a halo from the molecule O=C1c2ccc3c(c2CCC1Br)OCC1CC(Cl)=CC=C31.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1c2ccc3c(c2CCC1Br)OCC1CC(Cl)=CC=C31.",
"ref_smiles": "O=C1CCCc2c1ccc1c2OCC2CC(Cl)=CC=C12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6ba2db22-6353-414d-97bd-1dabcda55b24",
"task": "delete",
"question": "Modify the molecule Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cn1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cn1",
"ref_smiles": "Cc1cn(-c2cc(NC(=O)N(C)c3cc(-c4cccnc4)ccn3)cc(C(F)(F)F)c2)cn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e0bdd662-11e5-42e4-a94c-28c40a677497",
"task": "delete",
"question": "Please remove a nitrile from the molecule CC(C)(C)N(CCNC(=O)CNc1nc(NCc2ccccc2OC(F)(F)F)ncc1C#N)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)N(CCNC(=O)CNc1nc(NCc2ccccc2OC(F)(F)F)ncc1C#N)C(=O)[O-].",
"ref_smiles": "CC(C)(C)N(CCNC(=O)CNc1ccnc(NCc2ccccc2OC(F)(F)F)n1)C(=O)[O-]",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "ee0fa5c8-8ed6-431c-93d3-038f751b0828",
"task": "delete",
"question": "Modify the molecule CC(C)[NH+](CCCO)Cc1cc(=O)n2ccccc2n1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)[NH+](CCCO)Cc1cc(=O)n2ccccc2n1",
"ref_smiles": "CCC[NH+](Cc1cc(=O)n2ccccc2n1)C(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "944ccdef-1693-45ff-91f6-ca7b921e098d",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CN(Cc1ccc2ccccc2n1)S(=O)(=O)c1cccc(OC)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CN(Cc1ccc2ccccc2n1)S(=O)(=O)c1cccc(OC)c1",
"ref_smiles": "CCOC(=O)CN(Cc1ccc2ccccc2n1)S(=O)(=O)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "51286b07-58aa-4ef0-8228-d36922312889",
"task": "delete",
"question": "Modify the molecule [NH3+]C1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1",
"ref_smiles": "[NH3+]C1CCCC1n1ccc(-n2cccn2)c-1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6638ce20-3a18-4307-ac78-19b3c9fbbe97",
"task": "delete",
"question": "Modify the molecule Cc1c(CC(C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(CC(C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc12",
"ref_smiles": "Cc1c(CC(C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "807d9087-afe5-423d-8696-493d75eb2dce",
"task": "delete",
"question": "Please remove a amine from the molecule CCCCCN(c1ncc(C(=O)[O-])cc1N)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCN(c1ncc(C(=O)[O-])cc1N)C(C)C.",
"ref_smiles": "CCCCCN(c1ccc(C(=O)[O-])cn1)C(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7cbcf7ce-fb18-4b78-9e08-58d14af69979",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCN(CCC)C(=O)CN1CCN(c2ccc(C(C)C)cc2)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN(CCC)C(=O)CN1CCN(c2ccc(C(C)C)cc2)C1=O.",
"ref_smiles": "CCCN(CCC)C(=O)CN1CCN(C(C)C)C1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0c91b9b7-b92f-4e8d-ad48-80fed64a2ef3",
"task": "delete",
"question": "Modify the molecule Cn1ncc2cc(-c3cnc(C4=[NH+]C5(CC5)C(=O)N4CC4CCN(C(=O)C5CC5)C4)cn3)ccc21 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1ncc2cc(-c3cnc(C4=[NH+]C5(CC5)C(=O)N4CC4CCN(C(=O)C5CC5)C4)cn3)ccc21",
"ref_smiles": "Cn1ncc2cc(-c3cnc(C=[NH+]CCCC4CCN(C(=O)C5CC5)C4)cn3)ccc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a71801ca-ac16-4ca8-a527-9f76d8e60917",
"task": "delete",
"question": "Please remove a amide from the molecule CC(NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1cccs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1cccs1.",
"ref_smiles": "CC(c1cccs1)n1cc(S(=O)(=O)N(C)C)ccc1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "5df12593-5c98-4222-bd59-e62f2bf8bc8a",
"task": "delete",
"question": "Modify the molecule S=c1[nH]nc(-c2ccccc2Br)n1-c1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "S=c1[nH]nc(-c2ccccc2Br)n1-c1ccccc1",
"ref_smiles": "S=c1[nH]nc(Br)n1-c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "accd6692-c483-46cc-aa4b-6d356edd057f",
"task": "delete",
"question": "Modify the molecule O=C(CC1CCc2ccccc21)N(Cc1ccccc1F)C1CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC1CCc2ccccc21)N(Cc1ccccc1F)C1CC1",
"ref_smiles": "O=C(CC1CCc2ccccc21)N(CF)C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "5805871f-32ff-4578-8d8a-b6fa77f3be03",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCOCCNC(=O)C(c1ccccc1)(c1ccccc1)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCOCCNC(=O)C(c1ccccc1)(c1ccccc1)C(C)C.",
"ref_smiles": "CCCOCCNC(=O)C(c1ccccc1)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b0b6c6d3-5691-411c-9cd6-151d34b1eb9d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCCOC(C)C(=O)NCC(Cc1ccccc1)C(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOC(C)C(=O)NCC(Cc1ccccc1)C(=O)[O-].",
"ref_smiles": "CCCCOC(C)C(=O)NCC(C)C(=O)[O-].",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "53ddeac1-650e-40eb-9b49-86e8d40e55b1",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule C=C(C[NH2+]C(C)C)C[NH+]1CCCCCC1CO.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C[NH2+]C(C)C)C[NH+]1CCCCCC1CO.",
"ref_smiles": "C=C(C[NH2+]C(C)C)C[NH+]1CCCCCC1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "f6173857-4a79-42b2-8505-8051bcbdb992",
"task": "delete",
"question": "Modify the molecule CC(C=C[NH2+]C(C)C)[NH+]=CN by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C=C[NH2+]C(C)C)[NH+]=CN",
"ref_smiles": "C=[NH+]C(C)C=C[NH2+]C(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a769be78-e031-4933-b058-0c42b9a8c3ef",
"task": "delete",
"question": "Modify the molecule CCc1csc2c(I)c(OC)ccc12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1csc2c(I)c(OC)ccc12",
"ref_smiles": "CCc1csc2cc(OC)ccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f6168a67-2877-4037-b258-ab9448b397bf",
"task": "delete",
"question": "Please remove a halo from the molecule COCC[NH+]1CC(NC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2C)C(c2ccc(F)c(F)c2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC[NH+]1CC(NC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2C)C(c2ccc(F)c(F)c2)C1.",
"ref_smiles": "COCC[NH+]1CC(NC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2C)C(c2cccc(F)c2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b6b8edb7-d0cc-45b0-bb81-d3d12d5ff283",
"task": "delete",
"question": "Please remove a amine from the molecule C=CCNC(NCC[NH+]1CCCCC1)=[NH+]C.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCNC(NCC[NH+]1CCCCC1)=[NH+]C.",
"ref_smiles": "C=CCC(NCC[NH+]1CCCCC1)=[NH+]C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f3714dee-aa01-4e74-9662-5a6b617e7aeb",
"task": "delete",
"question": "Please remove a nitrile from the molecule N#Cc1c(CCCNC(=O)C2CC=CCC2)nn(-c2ccc(F)cc2)c1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1c(CCCNC(=O)C2CC=CCC2)nn(-c2ccc(F)cc2)c1N.",
"ref_smiles": "Nc1cc(CCCNC(=O)C2CC=CCC2)nn1-c1ccc(F)cc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "a3eb984c-6d5a-4401-b7ac-c7c87ee2cec5",
"task": "delete",
"question": "Please remove a halo from the molecule CN(C)C(=O)C1CCCN1c1cncc(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)C(=O)C1CCCN1c1cncc(Br)c1.",
"ref_smiles": "CN(C)C(=O)C1CCCN1c1cccnc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2b8dacf4-4159-425f-8285-0726c6938096",
"task": "delete",
"question": "Please remove a halo from the molecule CC1(C)CCC(CNc2cc(F)cc(Cl)c2)O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCC(CNc2cc(F)cc(Cl)c2)O1.",
"ref_smiles": "CC1(C)CCC(CNc2cccc(F)c2)O1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "03bfaf1d-2778-4610-8f2f-ed7ab1eaee31",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=S(=O)(CCc1ccncc1)N(CCO)C1CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(CCc1ccncc1)N(CCO)C1CC1.",
"ref_smiles": "CCN(C1CC1)S(=O)(=O)CCc1ccncc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "690dafd7-ebbb-41bd-ac44-6530150d1b65",
"task": "delete",
"question": "Modify the molecule C=C(C)CS(=O)CC(=O)Nc1ccccc1C(=O)OC by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C)CS(=O)CC(=O)Nc1ccccc1C(=O)OC",
"ref_smiles": "C=C(C)CS(=O)c1ccccc1C(=O)OC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "304cfda2-2bf8-4554-9f9f-1d1930fd3ef2",
"task": "delete",
"question": "Please remove a nitrile from the molecule Cc1csc(C(C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1csc(C(C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.",
"ref_smiles": "Cc1csc(CC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "b69ba555-3be7-4e7e-804e-ace9ab924685",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc(S(=O)(=O)N2C=CCC(Br)C23CCCC3=O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(S(=O)(=O)N2C=CCC(Br)C23CCCC3=O)cc1.",
"ref_smiles": "Cc1ccc(S(=O)(=O)N2C=CCCC23CCCC3=O)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6ae97fb3-1b1f-4f80-a4f6-c101d14423ce",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(=O)OC1CC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(=O)OC1CC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)C1.",
"ref_smiles": "CCC(=O)OC1CC(CCCCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "c3716766-447e-4186-8703-beb4f8e8aeaa",
"task": "delete",
"question": "Please remove a amine from the molecule COCCCCNS(=O)(=O)CC(=O)[O-].\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCCCNS(=O)(=O)CC(=O)[O-].",
"ref_smiles": "COCCCCS(=O)(=O)CC(=O)[O-]",
"add_group": null,
"remove_group": "amine"
},
{
"id": "86b3c941-c527-49be-b572-54b820b538f9",
"task": "delete",
"question": "Modify the molecule Cc1nn(C)cc1CNC(=O)C(C)C(C)C(=O)[O-] by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nn(C)cc1CNC(=O)C(C)C(C)C(=O)[O-]",
"ref_smiles": "Cc1nn(C)cc1CC(C)(C)C(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cc8d5bde-8673-4e21-ae68-745e97f2102c",
"task": "delete",
"question": "Please remove a halo from the molecule COc1ncc(OC(F)(F)F)c(S(=O)(=O)Cl)c1N.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ncc(OC(F)(F)F)c(S(=O)(=O)Cl)c1N.",
"ref_smiles": "COc1ncc(OC(F)(F)F)c([SH](=O)=O)c1N",
"add_group": null,
"remove_group": "halo"
},
{
"id": "cc0742b0-7dd1-4aab-8ebb-c9ed1c66ebf9",
"task": "delete",
"question": "Please remove a halo from the molecule CCOC1CC(CC(O)Cc2cc(Cl)ccc2Cl)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC1CC(CC(O)Cc2cc(Cl)ccc2Cl)C1.",
"ref_smiles": "CCOC1CC(CC(O)Cc2cccc(Cl)c2)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5511fde6-371b-4f07-9a0b-a10a24138629",
"task": "delete",
"question": "Modify the molecule Clc1cc(NCc2ccccn2)nc(C2CCCCC2)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Clc1cc(NCc2ccccn2)nc(C2CCCCC2)n1",
"ref_smiles": "c1ccc(CNc2ccnc(C3CCCCC3)n2)nc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "967777ce-b433-4b46-965a-b086b0d6b0fa",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1cc[n+](CCC(=O)NCC(C)O)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc[n+](CCC(=O)NCC(C)O)cc1.",
"ref_smiles": "CCC(=O)NCC(C)Cc1cc[n+]cc1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "b0e6aa59-e142-44f5-b294-e3a4f1962cc6",
"task": "delete",
"question": "Modify the molecule NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1",
"ref_smiles": "NS(=O)(=O)CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ab0a66ae-a068-457a-b681-785f1c004149",
"task": "delete",
"question": "Please remove a amine from the molecule O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.",
"ref_smiles": "O=C(NC(=S)c1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "c0330412-59ac-4cd3-9498-e1315c0f09a4",
"task": "delete",
"question": "Please remove a halo from the molecule O=C([O-])CCCOc1c(F)cc(-c2cccc(SCC3CC3)n2)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CCCOc1c(F)cc(-c2cccc(SCC3CC3)n2)cc1F.",
"ref_smiles": "O=C([O-])CCCOc1ccc(-c2cccc(SCC3CC3)n2)cc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2f3bfab9-9791-4c2a-8452-4ae4a17b1e1e",
"task": "delete",
"question": "Modify the molecule CC[NH2+]C(C)(CO)CC(C)N(C)CC(F)(F)F by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH2+]C(C)(CO)CC(C)N(C)CC(F)(F)F",
"ref_smiles": "CC[NH2+]C(C)(C)CC(C)N(C)CC(F)(F)F",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "70df55d7-d6b0-48aa-9fb8-b900214e124d",
"task": "delete",
"question": "Modify the molecule O=C(NC1CCCC1)c1cc2cc(Cl)ccc2[nH]1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC1CCCC1)c1cc2cc(Cl)ccc2[nH]1",
"ref_smiles": "O=C(NC1CCCC1)c1cc2ccccc2[nH]1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7bdbbb47-60cc-4c1e-b041-f59053a1a432",
"task": "delete",
"question": "Modify the molecule Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1",
"ref_smiles": "Cc1ccc(Nc2cc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "630f5c93-dd30-4beb-9ff0-f01af7028a51",
"task": "delete",
"question": "Modify the molecule CSCCC(NC(=O)C(CC(N)=O)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-] by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSCCC(NC(=O)C(CC(N)=O)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-]",
"ref_smiles": "CSCCC(NC(=O)CNC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "b79a4621-d7f6-48ce-a212-0baf16901c01",
"task": "delete",
"question": "Please remove a nitrile from the molecule CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=CC#N)cc1OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=CC#N)cc1OC.",
"ref_smiles": "C=Cc1ccc(OC(=O)C(C#N)=Cc2ccccc2OCCC)c(OC)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "78bcf57f-1cac-4f80-99d4-1f30b9284cf7",
"task": "delete",
"question": "Modify the molecule CC1CCC(NC(=O)CC23CC4CC(CC(Br)(C4)C2)C3)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCC(NC(=O)CC23CC4CC(CC(Br)(C4)C2)C3)CC1",
"ref_smiles": "CC1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "24e97fc8-8c46-4fb6-b523-fbc0370906c5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccccc1CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)CC1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccccc1CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)CC1=O.",
"ref_smiles": "COCCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)CC1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "55563f0e-0c3d-4d5e-b627-6d384d3189d9",
"task": "delete",
"question": "Modify the molecule N#CC1CN(C(=O)CN2CCC[NH2+]CC2)CCO1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CC1CN(C(=O)CN2CCC[NH2+]CC2)CCO1",
"ref_smiles": "O=C(CN1CCC[NH2+]CC1)N1CCOCC1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "f30e3b62-c36c-4cb4-8484-d42daf509ee2",
"task": "delete",
"question": "Modify the molecule COC(=O)C(C)=CC[NH2+]CC1(O)CCOCC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(C)=CC[NH2+]CC1(O)CCOCC1",
"ref_smiles": "COC(=O)C(C)=CC[NH2+]CC1CCOCC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "7a980cd1-6e09-42ad-8778-881a3115625d",
"task": "delete",
"question": "Modify the molecule CCC(CC)N(CCCl)C(=O)c1ncccc1C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(CC)N(CCCl)C(=O)c1ncccc1C",
"ref_smiles": "CCC(CC)N(CC)C(=O)c1ncccc1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9eda6679-8e23-46a7-8aa7-bdabdd8d07e1",
"task": "delete",
"question": "Modify the molecule CCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)cc1",
"ref_smiles": "CCOc1ccc(C(C)(C)CCCc2cccc(Oc3ccccc3F)c2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0a0a277a-6f60-4f0c-8055-1b5b330a94ff",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)c1ccc(COc2ccc(C=C3C(=O)Nc4ccccc43)cc2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1ccc(COc2ccc(C=C3C(=O)Nc4ccccc43)cc2)cc1.",
"ref_smiles": "COC(=O)COc1ccc(C=C2C(=O)Nc3ccccc32)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d39307e1-eb57-497b-9b19-247beb1de893",
"task": "delete",
"question": "Please remove a halo from the molecule CCc1nc(C(N)=O)c(Nc2ccc3c(c2)OCC(=O)N3CC[NH+]2CCN(C)CC2)nc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1nc(C(N)=O)c(Nc2ccc3c(c2)OCC(=O)N3CC[NH+]2CCN(C)CC2)nc1Cl.",
"ref_smiles": "CCc1cnc(Nc2ccc3c(c2)OCC(=O)N3CC[NH+]2CCN(C)CC2)c(C(N)=O)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "cb4adcf3-783f-4944-9a7c-72ce01ba6e5c",
"task": "delete",
"question": "Modify the molecule CCCCC(=O)OC1OCCC1P(=O)([O-])Cc1ccccc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCC(=O)OC1OCCC1P(=O)([O-])Cc1ccccc1",
"ref_smiles": "CCCCC(=O)OC1OCCC1P(C)(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "86336aa0-a989-4e97-8854-73cb5933f1df",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(CCc1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N2CCCC2C(=O)[O-])s1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(CCc1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N2CCCC2C(=O)[O-])s1.",
"ref_smiles": "CCC(CCCOCC(O)C(C)(C)C)c1cc(C)c(C(=O)N2CCCC2C(=O)[O-])s1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "46559320-34d9-4bb4-ae84-b4ddf4aeb4c2",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC([NH3+])Cc1ccc(OCCOc2ccccc2)cn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC([NH3+])Cc1ccc(OCCOc2ccccc2)cn1.",
"ref_smiles": "CCC([NH3+])Cc1ccc(OCCO)cn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b6ae8d16-f7a8-4d71-b1b1-4e30d6e6975f",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCOCC2)o1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCOCC2)o1.",
"ref_smiles": "Cc1ccc(Cc2ccc(cc2N2CCOCC2)o1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bfab36b7-26a8-4855-9dd1-4d280fab67b3",
"task": "delete",
"question": "Please remove a amide from the molecule CCOC(=O)c1c(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1c(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C.",
"ref_smiles": "CCOC(=O)c1c(Cc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2fb0a7b3-af7c-46bf-9160-afb1d89589df",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(NC(=Cc1ccc2c(c1)OCO2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC(=Cc1ccc2c(c1)OCO2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccccc1.",
"ref_smiles": "O=CNC(=Cc1ccc2c(c1)OCO2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cccac5a1-1576-4f93-beca-841b61d060d4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(C)c(C2CCCCC2C[NH2+]CC(C)C)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c(C2CCCCC2C[NH2+]CC(C)C)cc1C.",
"ref_smiles": "CCCC1CCCCC1C[NH2+]CC(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "50dfb7e5-147f-4d9c-ad8a-f219f3429a5d",
"task": "delete",
"question": "Modify the molecule CC1C[NH+](CC(C)(C)O)CCN1C(=O)NC1CCC[NH2+]C1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1C[NH+](CC(C)(C)O)CCN1C(=O)NC1CCC[NH2+]C1",
"ref_smiles": "CC1C[NH+](CC(C)(C))CCN1C(=O)NC1CCC[NH2+]C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6c93d124-9fc6-4dfe-901f-f113cdb2a129",
"task": "delete",
"question": "Please remove a amide from the molecule COC(=O)CN(C)C(=O)c1sccc1C#CC[NH3+].\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)CN(C)C(=O)c1sccc1C#CC[NH3+].",
"ref_smiles": "COC(=O)C1sccc1(C)C#CC[NH3+]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "ce09cdbb-3d4f-491e-9136-14795814ee20",
"task": "delete",
"question": "Please remove a halo from the molecule CC(=NNc1nnc(NCc2ccccc2)nn1)c1ccc(Cl)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=NNc1nnc(NCc2ccccc2)nn1)c1ccc(Cl)cc1.",
"ref_smiles": "CC(=NNc1nnc(NCc2ccccc2)nn1)c1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "5f87682b-e546-4945-9985-1cb29854a204",
"task": "delete",
"question": "Modify the molecule CCCCCCCCCCCCC(Oc1ccc(OS(=O)Nc2c(C)cc(C)c(-c3nnc4c(Cl)c(C)[nH]n34)c2C)cc1)C(=O)[O-] by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCCCCC(Oc1ccc(OS(=O)Nc2c(C)cc(C)c(-c3nnc4c(Cl)c(C)[nH]n34)c2C)cc1)C(=O)[O-]",
"ref_smiles": "CCCCCCCCCCCCC(Oc1ccc(OS(=O)N(C)CCc2nnc3c(Cl)c(C)[nH]n23)cc1)C(=O)[O-]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a6c06d96-c7db-4792-b8a8-a554ff29d71e",
"task": "delete",
"question": "Modify the molecule COC(=O)CNC(=O)Nc1cc(Cl)c[nH]c1=O by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)CNC(=O)Nc1cc(Cl)c[nH]c1=O",
"ref_smiles": "COC(=O)CNC(=O)Nc1ccc[nH]c1=O",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7e8543b2-df83-4e69-9799-ed9414031169",
"task": "delete",
"question": "Please remove a halo from the molecule COc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1.",
"ref_smiles": "COc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3)s2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1f8a35d9-431f-4c91-8b12-9a6d0cd5a27a",
"task": "delete",
"question": "Modify the molecule CC(C)CCCOC1CCC(C#N)(NC(C)C)C1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CCCOC1CCC(C#N)(NC(C)C)C1",
"ref_smiles": "CC(C)CCCOC1CCC(NC(C)C)C1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "3041b444-2268-488b-86c6-177308d82f31",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC[NH+]1CCN(c2ccc(-c3c(CCC4=NCC=C4)cc(OC)cc3OC)cc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+]1CCN(c2ccc(-c3c(CCC4=NCC=C4)cc(OC)cc3OC)cc2)CC1.",
"ref_smiles": "CC[NH+]1CCN(c2c(CCC3=NCC=C3)cc(OC)cc2OC)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "865c05c2-952b-4dd0-a9f2-114940d44812",
"task": "delete",
"question": "Modify the molecule COCc1cccc(NCc2ccc(F)cc2F)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCc1cccc(NCc2ccc(F)cc2F)c1",
"ref_smiles": "COCNCc1ccc(F)cc1F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b2fd8b29-bf45-49ce-925d-949ead46b052",
"task": "delete",
"question": "Modify the molecule CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1",
"ref_smiles": "CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cn3)c(=O)c2c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "03a6899c-acb3-4f7d-ac8e-17e87b73a03e",
"task": "delete",
"question": "Modify the molecule Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[NH+](Cc2ccccc2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[NH+](Cc2ccccc2)CC1",
"ref_smiles": "Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[NH+](C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "5fab3d41-49f0-4e7c-b826-60c0e4eec784",
"task": "delete",
"question": "Modify the molecule C=CCOc1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCOc1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1",
"ref_smiles": "C=CCOc1ccc(CC(=O)NCc2ccc(OC)cc2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0b38dd49-55cc-4cb3-a0f8-8794109c9bbe",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1c(N)cc(S(=O)(=O)Nc2cc(Cl)nc(Cl)n2)cc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(N)cc(S(=O)(=O)Nc2cc(Cl)nc(Cl)n2)cc1F.",
"ref_smiles": "Cc1c(N)cc(S(=O)(=O)c2cc(Cl)nc(Cl)n2)cc1F",
"add_group": null,
"remove_group": "amine"
},
{
"id": "f8a3e919-bad0-4ec4-8dff-94b3c130e3ad",
"task": "delete",
"question": "Modify the molecule CCN(C)C=[NH+]c1cc(Br)c(OCc2ccc(F)cc2C)nc1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(C)C=[NH+]c1cc(Br)c(OCc2ccc(F)cc2C)nc1C",
"ref_smiles": "CCN(C)C=[NH+]c1cc(Br)c(OC(C)F)nc1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9ff50ded-bc06-4464-b249-273b0201f4ce",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1OC.",
"ref_smiles": "COc1ccc(N=COCc2ccccc2)cc1OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "17f55bb1-6c04-4b19-96c6-08cab5c5e8d0",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C1CCCC2CCCC12O.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1CCCC2CCCC12O.",
"ref_smiles": "O=C1CCCC2CCCC12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "02caf6e3-7843-42bb-a6a2-99e37598bf06",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)C[NH2+]CC(C)(C)c1cc(Br)ccc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C[NH2+]CC(C)(C)c1cc(Br)ccc1F.",
"ref_smiles": "COC(=O)C[NH2+]CC(C)(C)c1ccccc1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bf397fa2-71a1-4591-8eea-0a0bb75f1212",
"task": "delete",
"question": "Please remove a amide from the molecule CC1NC(=O)C(Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])ccc2OCCCNC1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1NC(=O)C(Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])ccc2OCCCNC1=O.",
"ref_smiles": "CN1CCCOc2ccc([N+](=O)[O-])cc2C(=O)NC(Cc2ccccc2)C1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "18f1156a-8d46-49c0-85dd-30a16f55a717",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCN(CCC)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN(CCC)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O.",
"ref_smiles": "CCCN(CCC)C(=O)CN(OC)S(C)(=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "be913c6d-44e4-4029-804c-5f4bc3e6e051",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1CO.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1CO.",
"ref_smiles": "Cc1nn(C(Cl)[N+](=O)[O-])c(C)c1CO",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cfb162e3-0429-4e78-8627-47ac11dd9d46",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOC(=O)C1CCCN(C(=S)Nc2ccc(OC)cc2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C1CCCN(C(=S)Nc2ccc(OC)cc2)C1.",
"ref_smiles": "CCOC(=O)C1CCCN(C(=S)NOC)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9cf8203c-d71c-400d-bbb8-276a959a8dbd",
"task": "delete",
"question": "Modify the molecule CC1CCN(C(=O)C2CC2C(=O)Nc2ccccc2Cl)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCN(C(=O)C2CC2C(=O)Nc2ccccc2Cl)CC1",
"ref_smiles": "CC1CCN(C(=O)C2CC2C(=O)Nc2ccccc2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1641035a-639a-48c8-818e-58d7a34e7b17",
"task": "delete",
"question": "Modify the molecule Cc1ccnc(NCCC(=O)N2CCCC2)c1C#N by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccnc(NCCC(=O)N2CCCC2)c1C#N",
"ref_smiles": "Cc1ccnc(NCCC(=O)N2CCCC2)c1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "0dbf981f-128c-4fc0-b72f-6f705825ad8b",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(COC)NC(=O)Cc1ccccc1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(COC)NC(=O)Cc1ccccc1O.",
"ref_smiles": "CCC(COC)c1ccccc1O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2afb656c-52cd-4b98-b431-9f721da207eb",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc(CC2(F)CCC[NH2+]C2)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CC2(F)CCC[NH2+]C2)cc1C.",
"ref_smiles": "Cc1ccc(CC2CCC[NH2+]C2)cc1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1fdf81e3-3580-47a3-893b-0b610242c86c",
"task": "delete",
"question": "Modify the molecule CC(C)Cn1c(=O)n(C)c(=O)c2cc(O)c(O)cc21 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Cn1c(=O)n(C)c(=O)c2cc(O)c(O)cc21",
"ref_smiles": "CC(C)Cn1c(=O)n(C)c(=O)c2ccc(O)cc21",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1dfe2529-d548-4649-9980-38e825955b3c",
"task": "delete",
"question": "Modify the molecule O=S(=O)(Oc1ccc2c(c1)C1(COC=N1)C1=C(C=CCO1)O2)C(F)(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=S(=O)(Oc1ccc2c(c1)C1(COC=N1)C1=C(C=CCO1)O2)C(F)(F)F",
"ref_smiles": "O=S(=O)(Oc1ccc2c(c1)C1(COC=N1)C1=C(C=CCO1)O2)C(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "74c66dd6-24cc-4de3-be62-cfd3c5e96114",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)C(C)OC1C(NC(C)=O)C(OCc2ccccc2)OC2COC(c3ccccc3)OC21.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(C)OC1C(NC(C)=O)C(OCc2ccccc2)OC2COC(c3ccccc3)OC21.",
"ref_smiles": "COC(=O)C(C)OC1C(NC(C)=O)C(OC)OC2COC(c3ccccc3)OC21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4a93eb96-8f87-47a5-9e98-1f791e201910",
"task": "delete",
"question": "Please remove a halo from the molecule CC(=O)NC(C)c1ccc(OC2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3Cl)C2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)NC(C)c1ccc(OC2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3Cl)C2)cc1.",
"ref_smiles": "CC(=O)NC(C)c1ccc(OC2CCN(c3cc[nH+]c(N4CCC(F)C4)c3Cl)C2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a3b2ab31-56d1-4b12-bb9c-ca28505984af",
"task": "delete",
"question": "Please remove a amine from the molecule c1ccc(C2CNCC3(CCCC3)[NH2+]2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1ccc(C2CNCC3(CCCC3)[NH2+]2)cc1.",
"ref_smiles": "c1ccc(C2CCC3(CCCC3)[NH2+]2)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "02e11822-1d21-4a92-a873-a337e82f8b2d",
"task": "delete",
"question": "Modify the molecule CC1C[NH+](CC(O)C[NH+](C)CC(O)C2CC2)CC(C)O1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1C[NH+](CC(O)C[NH+](C)CC(O)C2CC2)CC(C)O1",
"ref_smiles": "CC1C[NH+](CC(O)C[NH+](C)CCC2CC2)CC(C)O1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "405c5736-9bc2-4f97-99d2-2939b46eb558",
"task": "delete",
"question": "Please remove a halo from the molecule N#CCC(N)c1cnc(Cl)c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CCC(N)c1cnc(Cl)c(Cl)c1.",
"ref_smiles": "N#CCC(N)c1cncc(Cl)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d3fe4839-e351-41f2-ac52-7e5dd0b76da0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)Cc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)Cc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1.",
"ref_smiles": "COC(=O)CCCC1(C2CCCC2)CC(=O)CC(=O)O1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8d336b35-f184-4add-a24d-33f1bd5281ce",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(C)C1CCC(O[Si](C)(C)C(C)(C)C)C2C=CC(C)(CO)CC21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C1CCC(O[Si](C)(C)C(C)(C)C)C2C=CC(C)(CO)CC21.",
"ref_smiles": "CC(C)C1CCC(O[Si](C)(C)C(C)(C)C)C2C=CC(C)(C)CC21",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "d734270e-d136-411b-93d8-3d13694209db",
"task": "delete",
"question": "Modify the molecule C=C(C(C(C)C)N(CCO)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C(C(C)C)N(CCO)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1",
"ref_smiles": "C=C(C(C(C)C)N(CC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "cc2758be-d5f6-4c23-a8eb-b4e86d542198",
"task": "delete",
"question": "Modify the molecule CCC(C(=O)OCCNC(=O)CCc1ccc(C)cc1)c1ccccc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C(=O)OCCNC(=O)CCc1ccc(C)cc1)c1ccccc1",
"ref_smiles": "CCC(C(=O)OCCCc1ccc(C)cc1)c1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "baa12b1a-e368-42ee-a574-32ef63633119",
"task": "delete",
"question": "Modify the molecule Cc1ccc(COc2ccc(C=C(C#N)c3cccc([N+](=O)[O-])c3)cc2I)cc1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(COc2ccc(C=C(C#N)c3cccc([N+](=O)[O-])c3)cc2I)cc1",
"ref_smiles": "Cc1ccc(COc2ccc(C=Cc3cccc([N+](=O)[O-])c3)cc2I)cc1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "bc2a7f33-5308-484f-97fd-b8562fc8c973",
"task": "delete",
"question": "Please remove a amide from the molecule CCCCOC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(C)=O)C(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(C)=O)C(C)C.",
"ref_smiles": "CCCCOC(=O)C(Cc1cnc[nH]1)NC(=O)CC(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "626e7c5a-a797-4ea5-972d-f078b9b102de",
"task": "delete",
"question": "Please remove a halo from the molecule CCC(C(=O)c1ccc(Cl)cc1)C(c1ccc(Br)cc1)C(C(=O)Nc1ccc(OC)cc1)C(=O)OC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C(=O)c1ccc(Cl)cc1)C(c1ccc(Br)cc1)C(C(=O)Nc1ccc(OC)cc1)C(=O)OC.",
"ref_smiles": "CCC(C(=O)c1ccccc1)C(c1ccc(Br)cc1)C(C(=O)Nc1ccc(OC)cc1)C(=O)OC",
"add_group": null,
"remove_group": "halo"
},
{
"id": "dfa4b661-4956-4d21-bef4-d8c473c47e38",
"task": "delete",
"question": "Please remove a amide from the molecule COc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1.",
"ref_smiles": "COc1cccc(C(=O)NC2CCC(c3(C(=O)[O-])cccc3)C2)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "69120660-a0bd-4245-a460-561089edec65",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC12CCC=CC1N(c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC12CCC=CC1N(c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12.",
"ref_smiles": "CC12CCC=CC1N(c1ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "33c95f80-5c0b-450b-9279-b5e6a50cc2c5",
"task": "delete",
"question": "Modify the molecule CCNC(=[NH+]CC(O)Cc1ccccc1)N1CC[NH+](Cc2ccon2)CC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(=[NH+]CC(O)Cc1ccccc1)N1CC[NH+](Cc2ccon2)CC1",
"ref_smiles": "CCNC(CC(O)Cc1ccccc1)N1CC[NH+](Cc2ccon2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "25af8afb-ed55-4b5a-bad2-01a0da30a005",
"task": "delete",
"question": "Modify the molecule CCOC(=O)C(NC(=O)CNC=O)C(=O)OCC by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C(NC(=O)CNC=O)C(=O)OCC",
"ref_smiles": "CCOC(=O)C(NC=O)C(=O)OCC",
"add_group": null,
"remove_group": "amide"
},
{
"id": "c8dfa09f-a1c3-4775-b052-d6f9012f516e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCC(C)c1ccc(C(O)CC2CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)c1ccc(C(O)CC2CC2)cc1.",
"ref_smiles": "CCC(C)C(O)CC1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cd51cd95-fa7d-488a-a01d-901e21fe8eed",
"task": "delete",
"question": "Please remove a halo from the molecule CCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1.",
"ref_smiles": "CCOc1ccccc1NC(=O)COC(=O)C=Cc1cccc([N+](=O)[O-])c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "00760ba8-728d-470c-9fe7-dea46c67baa0",
"task": "delete",
"question": "Modify the molecule CC(C)CC(NC(=O)C1CCC[NH2+]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-] by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CC(NC(=O)C1CCC[NH2+]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-]",
"ref_smiles": "CC(C)C(NC(=O)C1CCC[NH2+]1)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "6cdce640-b4ed-433d-ab91-2237764c281f",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1.",
"ref_smiles": "O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccccc2)CCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "375eaa5e-fb0f-4d70-bc3e-0cf51b386d37",
"task": "delete",
"question": "Modify the molecule Cc1ccc(CC(C)NC(=O)N2CC3C(=O)NC(=O)C3C2)s1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CC(C)NC(=O)N2CC3C(=O)NC(=O)C3C2)s1",
"ref_smiles": "Cc1ccc(CC(C)NC(=O)N2CC(C=O)C2)s1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "a0a5513a-ffe1-4eba-8cea-6df9e6e58d18",
"task": "delete",
"question": "Please remove a benzene ring from the molecule c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1.",
"ref_smiles": "c1cncc(-c2ccc(-c3nnc(-c4nnc(-c5ccc(-c6cccnc6)nc5)s4)s3)cn2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c1222128-7830-46d0-9b27-735a84a6969c",
"task": "delete",
"question": "Modify the molecule C=CCNC(NCCc1ccco1)=[NH+]CCC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCNC(NCCc1ccco1)=[NH+]CCC",
"ref_smiles": "C=CCC(NCCc1ccco1)=[NH+]CCC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "bdacf60e-a8ff-4d88-9e90-1c21602707a9",
"task": "delete",
"question": "Modify the molecule Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)C2(C)C(=O)[O-] by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)C2(C)C(=O)[O-]",
"ref_smiles": "Cc1onc(-c2ccccc2)c1C(=O)N1CSC(C)C1(C)C(=O)[O-]",
"add_group": null,
"remove_group": "amide"
},
{
"id": "29bcd2cd-da74-4268-9ba5-d6525265c46b",
"task": "delete",
"question": "Modify the molecule CC(Oc1ccccc1Cl)C(=O)N1CCCNC(=O)C1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(Oc1ccccc1Cl)C(=O)N1CCCNC(=O)C1",
"ref_smiles": "CC(Oc1ccccc1Cl)C(=O)N1CCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "e8599b78-01a2-4f02-9cfd-175d52b1f7d9",
"task": "delete",
"question": "Modify the molecule CCCCCCCCCCCCC#CC#CCCCCCCCCCSC(NC)=[NH+]C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCCCCCC#CC#CCCCCCCCCCSC(NC)=[NH+]C",
"ref_smiles": "CCCCCCCCCCCCC#CC#CCCCCCCCCCSC(C)=[NH+]C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "6eee3f00-4354-49e0-b041-0fa02b7e3836",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C=C(C=CC=C1N(CCC(C)C)c2cc3ccccc3cc2C1(C)Cc1ccccc1)C(C)(Cc1ccccc1)c1cc(OC)ccc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C=CC=C1N(CCC(C)C)c2cc3ccccc3cc2C1(C)Cc1ccccc1)C(C)(Cc1ccccc1)c1cc(OC)ccc1C.",
"ref_smiles": "C=C(C=CC=C1N(CCC(C)C)c2cc3ccccc3cc2C1(C)Cc1ccccc1)C(C)(C)c1cc(OC)ccc1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6ca6b228-817d-40e7-89d7-f7dc1ff6e9fb",
"task": "delete",
"question": "Modify the molecule C=CCCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)OC1CC(=C)CCC1=O)c1cc(NC(=O)CCCC(=O)NCCC3C#C3)ccc1-2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)OC1CC(=C)CCC1=O)c1cc(NC(=O)CCCC(=O)NCCC3C#C3)ccc1-2",
"ref_smiles": "C=CCCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)OC1CC(=C)CCC1=O)c1cc(NC(=O)CCCCC3C#C3)ccc1-2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bb3f2acc-67e1-450f-8114-cbf5ff4a74c3",
"task": "delete",
"question": "Please remove a halo from the molecule BCc1cccc(-c2cccc(CBr)c2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "BCc1cccc(-c2cccc(CBr)c2)c1.",
"ref_smiles": "BCc1cccc(-c2cccc(C)c2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "19c8288a-eda8-419d-89b7-3980bd5236d5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH2+]C(CCCC(C)C)CCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(CCCC(C)C)CCc1ccccc1.",
"ref_smiles": "CCC(CCCC(C)C)[NH2+]C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "dbcc66a9-0d0b-458e-a0ee-af5411ce6054",
"task": "delete",
"question": "Please remove a amide from the molecule CC(=O)NNC(=O)CSc1nnnn1-c1ccc(C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)NNC(=O)CSc1nnnn1-c1ccc(C)cc1.",
"ref_smiles": "Cc1ccc(-n2nnnc2SCC(N)=O)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "c3504e33-86b9-4596-8f09-21d74dfbff26",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C[NH+]2CCc3c(cc(Cl)c(C(=O)NC(CNC(=O)c4cccs4)C(=O)[O-])c3Cl)C2)s1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C[NH+]2CCc3c(cc(Cl)c(C(=O)NC(CNC(=O)c4cccs4)C(=O)[O-])c3Cl)C2)s1",
"ref_smiles": "Cc1ccc(C[NH+]2CCc3cc(C(=O)NC(CNC(=O)c4cccs4)C(=O)[O-])c(Cl)cc3C2)s1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "071b1e80-0ce4-4e1e-bb6c-603ca4a74be1",
"task": "delete",
"question": "Modify the molecule Cc1nc(C[NH+](C)Cc2ccccc2C(N)=[NH2+])cs1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(C[NH+](C)Cc2ccccc2C(N)=[NH2+])cs1",
"ref_smiles": "Cc1nc(C[NH+](C)Cc2ccccc2CN)cs1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7d05e310-3704-4714-a63b-d64ce39020be",
"task": "delete",
"question": "Modify the molecule CCN(CC)c1nc(NC)nc(SCC2CCCO2)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(CC)c1nc(NC)nc(SCC2CCCO2)n1",
"ref_smiles": "CCN(CC)c1nc(C)nc(SCC2CCCO2)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "62c2e184-2237-4967-825f-6aa65df789f0",
"task": "delete",
"question": "Modify the molecule COC1CC(n2c(C(C)Cl)nc3cc(Cl)ccc32)C1(C)C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC1CC(n2c(C(C)Cl)nc3cc(Cl)ccc32)C1(C)C",
"ref_smiles": "COC1CC(n2c(C(C)Cl)nc3ccccc32)C1(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "36bf6b45-668a-4ee0-ad94-163a0545254a",
"task": "delete",
"question": "Modify the molecule CCOC(C)C(=O)NCC(O)c1ccsc1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(C)C(=O)NCC(O)c1ccsc1",
"ref_smiles": "CCOC(C)C(=O)NCCc1ccsc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "5c12a7ab-d40f-4f7a-9af3-a2e9b29c0621",
"task": "delete",
"question": "Modify the molecule O=C1C(=Cc2cc(Br)ccc2F)Cc2c(O)cccc21 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1C(=Cc2cc(Br)ccc2F)Cc2c(O)cccc21",
"ref_smiles": "O=C1C(=Cc2ccccc2F)Cc2c(O)cccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4b78c7bf-1fc6-4799-9850-56d1cd1bd268",
"task": "delete",
"question": "Modify the molecule Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl",
"ref_smiles": "Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)cnc1Cl",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6b6d990d-804d-4547-8eca-1214a9e29193",
"task": "delete",
"question": "Modify the molecule COCC(C)n1c(C)cc(C=C(C#N)C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC(C)n1c(C)cc(C=C(C#N)C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C",
"ref_smiles": "COCC(C)n1c(C)cc(C=C(C#N)C(=O)N2CC[NH+](CC(F)(F)F)CC2)c1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "bd80fc8c-f28c-4975-ba65-faace22d1e9e",
"task": "delete",
"question": "Modify the molecule Cc1cc(NCC2CCC(NSC(C)C)CC2)cc2ccc(=O)oc12 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(NCC2CCC(NSC(C)C)CC2)cc2ccc(=O)oc12",
"ref_smiles": "Cc1cc(NCC2CCC(SC(C)C)CC2)cc2ccc(=O)oc12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "c031fc27-ac34-4b5c-80a2-87bdf8633caa",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(N=C(O)C(C)N=C(O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)C2)C(=O)OCc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(N=C(O)C(C)N=C(O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)C2)C(=O)OCc1ccccc1.",
"ref_smiles": "CC(N=C(O)C(C)N=C(O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCC)C2)C(=O)OCC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3ddb86ec-96e4-4220-a138-7269f9c23442",
"task": "delete",
"question": "Modify the molecule CCn1[nH]c(C=C2C(=O)Nc3ccc(S(C)(=O)=O)cc32)nc1=O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1[nH]c(C=C2C(=O)Nc3ccc(S(C)(=O)=O)cc32)nc1=O",
"ref_smiles": "CCn1[nH]c(Cc2cccc(S(C)(=O)=O)c2)nc1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cf99cd04-7616-480d-90cd-48385ff1e859",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CN2CCCc3ccccc32)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CN2CCCc3ccccc32)c1.",
"ref_smiles": "Cc1cc(C)cc(C(=O)NCC(=O)NN2CCCc3ccccc32)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "22b750b6-e4c0-402a-a731-cf9010486889",
"task": "delete",
"question": "Please remove a halo from the molecule Cn1cccc1CI.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1cccc1CI.",
"ref_smiles": "Cc1cccn1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "42ff741b-f775-4361-8826-e1accf730b67",
"task": "delete",
"question": "Please remove a nitrile from the molecule Cc1ccc(C#N)cc1OCC(C)(C)CS.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C#N)cc1OCC(C)(C)CS.",
"ref_smiles": "Cc1ccccc1OCC(C)(C)CS",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "d11e6da2-3c1e-41bc-ba4c-0d513e22b9b4",
"task": "delete",
"question": "Please remove a amine from the molecule CCOCCCNc1sc(C#N)c(N)c1S(=O)(=O)CC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOCCCNc1sc(C#N)c(N)c1S(=O)(=O)CC.",
"ref_smiles": "CCOCCCNc1sc(C#N)cc1S(=O)(=O)CC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "3101ac85-03ea-4d1e-a761-ef178a8693bd",
"task": "delete",
"question": "Modify the molecule CCn1nccc1NC(=O)C1CCCN1S(=O)(=O)c1c[nH+]c2n1C(C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1nccc1NC(=O)C1CCCN1S(=O)(=O)c1c[nH+]c2n1C(C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1",
"ref_smiles": "CCn1nccc1NC(=O)C1CCCN1S(=O)(=O)c1c[nH+]c(-c2cc(Cl)cc(Cl)c2)n1CCc1ccc(-c2cncnc2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "2947d5d5-a3e4-4ca6-9877-5a2df5e9ede2",
"task": "delete",
"question": "Modify the molecule O=C(NCCc1ccccc1F)c1cc(COc2ccc3ncccc3c2)on1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NCCc1ccccc1F)c1cc(COc2ccc3ncccc3c2)on1",
"ref_smiles": "O=C(NCCF)c1cc(COc2ccc3ncccc3c2)on1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "90a260b3-447e-4f8c-9cd6-6b5def7ec03b",
"task": "delete",
"question": "Please remove a amine from the molecule CCOC(CC[NH+](C)C)C[NH+]=C(N)NC(C)COC.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(CC[NH+](C)C)C[NH+]=C(N)NC(C)COC.",
"ref_smiles": "CCOC(CC[NH+](C)C)C[NH+]=C(N)C(C)COC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7b71bba4-6759-4a68-89bd-486530db9d76",
"task": "delete",
"question": "Modify the molecule CC1(C)C(CO)C1Cn1cnc2c(Cl)ncnc21 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)C(CO)C1Cn1cnc2c(Cl)ncnc21",
"ref_smiles": "CC1C(Cn2cnc3c(Cl)ncnc32)C1(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "857b024c-523a-4331-89b0-2f0b95f61dc6",
"task": "delete",
"question": "Modify the molecule CC(C)(C)OC(=O)N1CCC(COCc2ccc(C(F)(F)F)c(F)c2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)N1CCC(COCc2ccc(C(F)(F)F)c(F)c2)CC1",
"ref_smiles": "CC(C)(C)OC(=O)N1CCC(COC(F)C(F)(F)F)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "8cc17e82-1348-49d1-94fc-24e8a49ba005",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule OCCn1cnc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "OCCn1cnc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c1.",
"ref_smiles": "CCn1cnc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "2cc47c26-72fb-4656-9a55-fb4530390333",
"task": "delete",
"question": "Modify the molecule Cc1ccc(N(C(C)C(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(N(C(C)C(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1",
"ref_smiles": "Cc1cccc(-c2noc(CNC(=O)C(C)N(C)S(C)(=O)=O)n2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c7fc89ad-6027-405b-b4d5-b55ec3e73e6f",
"task": "delete",
"question": "Modify the molecule CC(C)OC(=O)N1CCC(Nc2ncnc3sccc23)CC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)OC(=O)N1CCC(Nc2ncnc3sccc23)CC1",
"ref_smiles": "CC(C)OC(=O)N1CCC(c2ncnc3sccc23)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "e85bc98b-486f-4a2f-9d9a-54cb84e6fde4",
"task": "delete",
"question": "Modify the molecule CC(C)C12CCC34OC3(C(O)CC3(C)C(C(=O)[O-])CCCC34C)C1(O)O2 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C12CCC34OC3(C(O)CC3(C)C(C(=O)[O-])CCCC34C)C1(O)O2",
"ref_smiles": "CC(C)C12CCC34OC3(C(O)CC3(C)C(C(=O)[O-])CCCC34C)C1O2",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "9583c5c1-11cf-4d05-ab7f-e2dbb7322b06",
"task": "delete",
"question": "Modify the molecule [NH2+]=C1C(=Nc2ccc(O)cc2O)C=NN1CCO by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH2+]=C1C(=Nc2ccc(O)cc2O)C=NN1CCO",
"ref_smiles": "OCCN1CC(=Nc2ccc(O)cc2O)C=N1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "031e58f1-e600-4a6b-8368-e9782d250e97",
"task": "delete",
"question": "Modify the molecule CC(CNC(=O)C1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(CNC(=O)C1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1",
"ref_smiles": "CC(CC1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bb31a01d-9e3b-419a-9194-6d0e5145a1ad",
"task": "delete",
"question": "Modify the molecule [NH3+]CCN1CCC(C(=O)NCCC2CCCC2)CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]CCN1CCC(C(=O)NCCC2CCCC2)CC1",
"ref_smiles": "[NH3+]CCN1CCC(CC2CCCC2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "99602372-344b-4da2-b802-9f49f4dfa5dd",
"task": "delete",
"question": "Please remove a benzene ring from the molecule C[NH2+]C(Cc1cc(F)ccc1Cl)C1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(Cc1cc(F)ccc1Cl)C1CCCC1.",
"ref_smiles": "C[NH2+]C(C(F)Cl)C1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f7f61887-8511-40f9-a674-45c2746d944b",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.",
"ref_smiles": "C=C(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "7bef9759-ebcf-4825-b04c-2bf71e700ecc",
"task": "delete",
"question": "Modify the molecule CN(CC(O)C[NH2+]C(C)(C)CCCc1c(F)cccc1F)S(=O)(=O)c1cc(F)cc(CCC(=O)[O-])c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(CC(O)C[NH2+]C(C)(C)CCCc1c(F)cccc1F)S(=O)(=O)c1cc(F)cc(CCC(=O)[O-])c1",
"ref_smiles": "CN(CC(O)C[NH2+]C(C)(C)CCCc1ccccc1F)S(=O)(=O)c1cc(F)cc(CCC(=O)[O-])c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a3e2fe09-7e7e-4398-baa2-800e61b25182",
"task": "delete",
"question": "Modify the molecule Cc1ccc(C)c2c1CC[NH2+]C2C(C)(C)O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C)c2c1CC[NH2+]C2C(C)(C)O",
"ref_smiles": "Cc1ccc(C)c2c1CC[NH2+]C2C(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "bc0a4439-4e3c-4aa5-a838-cec51ade69e0",
"task": "delete",
"question": "Modify the molecule CCC1Oc2c(Br)cccc2C1[NH2+]C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1Oc2c(Br)cccc2C1[NH2+]C",
"ref_smiles": "CCC1Oc2ccccc2C1[NH2+]C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "2e1484eb-e4d2-4dfe-98bc-a4890734d834",
"task": "delete",
"question": "Modify the molecule CCn1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O",
"ref_smiles": "CCn1nc(C(=O)OCC(=O)NCCS(N)(=O)=O)c2ccccc2c1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2bedf33b-ba67-4563-b81b-bdeb2ed5f591",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(=O)N1CCN(C(=O)CCc2ccnn2C)CC1c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1CCN(C(=O)CCc2ccnn2C)CC1c1ccccc1.",
"ref_smiles": "CC(=O)N1CCN(C(=O)CCc2ccnn2C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "49370792-bc95-471d-b997-f083e6cec93a",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1)c1ccco1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1)c1ccco1.",
"ref_smiles": "O=C(C1=CC(=O)N(Cc2cccnc2)C1c1ccc(F)cc1)c1ccco1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1556f727-c3a2-4866-83b9-899a49be21e1",
"task": "delete",
"question": "Please remove a amine from the molecule C[NH2+]C(c1ccc2c(c1)CCC(=O)N2C)C(C)N.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(c1ccc2c(c1)CCC(=O)N2C)C(C)N.",
"ref_smiles": "CCC([NH2+]C)c1ccc2c(c1)CCC(=O)N2C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "05f17b11-f763-4c6d-89ce-00e7e68f9c9f",
"task": "delete",
"question": "Please remove a amide from the molecule CCCN1C(=O)SC(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN1C(=O)SC(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O.",
"ref_smiles": "CCC(Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C)C(=O)S",
"add_group": null,
"remove_group": "amide"
},
{
"id": "06dbb0a8-44c1-485e-b1e5-4cd6de23326e",
"task": "delete",
"question": "Modify the molecule CC(=O)N(c1cc(C(=O)[O-])cc(N2CCCC2=O)c1)C(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N(c1cc(C(=O)[O-])cc(N2CCCC2=O)c1)C(C)C",
"ref_smiles": "CC(C)c1cc(C(=O)[O-])cc(N2CCCC2=O)c1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "cba2de45-c05b-4b84-8bec-1ff126d1a3d2",
"task": "delete",
"question": "Modify the molecule Cc1cc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1",
"ref_smiles": "Cc1cc(N2CCC(c3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "ac101d50-ddd1-42e6-823f-f1e2fd888237",
"task": "delete",
"question": "Please remove a halo from the molecule CC1CCC2C(CNC(=O)C[NH+](C)CC(=O)NCC3=C(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC3C46OO5)=C(C(F)(F)F)OC3OC4(C)CCC1C32OO4.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCC2C(CNC(=O)C[NH+](C)CC(=O)NCC3=C(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC3C46OO5)=C(C(F)(F)F)OC3OC4(C)CCC1C32OO4.",
"ref_smiles": "CC1CCC2C(CNC(=O)C[NH+](C)CC(=O)NCC3=C(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC3C46OO5)=C(C(F)F)OC3OC4(C)CCC1C32OO4",
"add_group": null,
"remove_group": "halo"
},
{
"id": "38a063d7-1b89-4d61-a70e-bc3266872914",
"task": "delete",
"question": "Modify the molecule Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C(C)C)cc2)C1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C(C)C)cc2)C1=O",
"ref_smiles": "CC(C)c1ccc(N2C(=O)C(Sc3ccccc3)=C(N(C)Cl)C2=O)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f5674e64-3d4c-4baf-b143-753e4ffc7e86",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)[NH2+]CCC(C)(O)Cc1cc(Cl)cc2c1OCC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)[NH2+]CCC(C)(O)Cc1cc(Cl)cc2c1OCC2.",
"ref_smiles": "CC(C)[NH2+]CCC(C)(O)Cc1cccc2c1OCC2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "03706cd4-50fe-4f85-8eaa-2b7bb89c1db7",
"task": "delete",
"question": "Please remove a benzene ring from the molecule N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(F)c1.",
"ref_smiles": "N#CC(F)=Cc1ccc(OCc2ccccc2)c(Br)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "56c44d50-c66e-4091-bd75-d785f46fd363",
"task": "delete",
"question": "Please remove a benzene ring from the molecule [NH3+]C1CCC(NC(=O)c2ccc3[nH+]c(-c4ccccc4)cn3c2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C1CCC(NC(=O)c2ccc3[nH+]c(-c4ccccc4)cn3c2)C1.",
"ref_smiles": "[NH3+]C1CCC(NC(=O)c2ccc3[nH+]ccn3c2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fd2187d4-9220-40d8-98f3-a96f98ce8fe8",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1cccnc1NC(C)c1cn[nH]c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1cccnc1NC(C)c1cn[nH]c1",
"ref_smiles": "CCOC(=O)c1cccnc1C(C)c1cn[nH]c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "b6b6c7f0-1f27-414b-803e-74d0b1fde4eb",
"task": "delete",
"question": "Modify the molecule COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1CCOC(=O)Nc1ccc(Cl)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1CCOC(=O)Nc1ccc(Cl)cc1",
"ref_smiles": "COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1CCOC(=O)NCl",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e6c494db-2794-40f5-9c96-b0541bc0546f",
"task": "delete",
"question": "Modify the molecule CCc1ccc(C2Cc3ccc(C)c(C)c3N2)s1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccc(C2Cc3ccc(C)c(C)c3N2)s1",
"ref_smiles": "CCc1ccc(C2Cc3ccc(C)c(C)c32)s1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "28c58588-3230-4984-af52-0d2c5d1022c5",
"task": "delete",
"question": "Modify the molecule COc1c(F)ccc(C(=O)NO)c1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1c(F)ccc(C(=O)NO)c1F",
"ref_smiles": "COc1cccc(C(=O)NO)c1F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "cc6c7c43-dd6a-4edd-90be-9ccb08e45c4a",
"task": "delete",
"question": "Modify the molecule Cc1ccc(Nc2nc(CSc3nnc(C4CC4)n3C)cs2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(Nc2nc(CSc3nnc(C4CC4)n3C)cs2)cc1",
"ref_smiles": "CNc1nc(CSc2nnc(C3CC3)n2C)cs1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "833622c1-218e-427c-aae1-d0ec2a5cdcf0",
"task": "delete",
"question": "Modify the molecule COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(C)c(F)c5)c4C)CC3)ccc2C)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(C)c(F)c5)c4C)CC3)ccc2C)cc1",
"ref_smiles": "COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(C)cc5)c4C)CC3)ccc2C)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "663cd489-cac3-4d01-aa8a-c96c15500e21",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(CC(C)(C)C)C(O)ON1C(O)C2C3CCC(C3)C2C1O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(CC(C)(C)C)C(O)ON1C(O)C2C3CCC(C3)C2C1O.",
"ref_smiles": "CC(CON1C(O)C2C3CCC(C3)C2C1O)CC(C)(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "1109af01-e439-4a1f-ad2d-dc2f43fce1b8",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(C)c1ccc(NC(=S)NCCCCO)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)c1ccc(NC(=S)NCCCCO)cc1.",
"ref_smiles": "CCCCNC(=S)Nc1ccc(C(C)C)cc1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "272eade6-967a-481d-9809-b6e73cb41fbb",
"task": "delete",
"question": "Modify the molecule COc1ccc(C2OCCCC2[NH3+])cc1Br by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(C2OCCCC2[NH3+])cc1Br",
"ref_smiles": "COC1(Br)OCCCC1[NH3+]",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6caccd85-30c1-49f0-a151-9733044391ae",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOc1ccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOc1ccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)cc1.",
"ref_smiles": "CCOC1CC(c2ccc(C)c(C)c2)Nc2nnnn21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "aa8b4b51-60cc-46b8-9a65-d0ad119f6181",
"task": "delete",
"question": "Please remove a halo from the molecule O=C([O-])NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1.",
"ref_smiles": "O=C([O-])NC1CCC(NC(=O)c2cccnc2Oc2ccccc2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b498d9c9-d941-4bba-858f-92db5dcb2973",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Cn2cccn2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Cn2cccn2)cc1.",
"ref_smiles": "CC(C)OCCNC(=O)Nc1ccc(Cn2cccn2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fb3b1384-5dd6-4d13-9e3b-85b1ffd5930d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule N#Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C#N.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C#N.",
"ref_smiles": "N#Cc1cc(NN=C[N+](=O)[O-])c([N+](=O)[O-])cc1C#N",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "6783800c-fccb-42c8-96fe-9a1f5a55dfae",
"task": "delete",
"question": "Modify the molecule CCC[NH2+]C(c1cc(F)ccc1Br)C1CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC[NH2+]C(c1cc(F)ccc1Br)C1CC1",
"ref_smiles": "CCC[NH2+]C(F)(Br)C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d7e7194c-104a-4f05-a2a7-df68768e71d9",
"task": "delete",
"question": "Modify the molecule C[Si](C)(C)CCOCn1cnc2cccc(N(C(=O)C3CCC(=O)N3c3cc(C#N)ccn3)C(C(=O)NC3CCC(F)(F)CC3)c3ccccc3Cl)c21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[Si](C)(C)CCOCn1cnc2cccc(N(C(=O)C3CCC(=O)N3c3cc(C#N)ccn3)C(C(=O)NC3CCC(F)(F)CC3)c3ccccc3Cl)c21",
"ref_smiles": "C[Si](C)(C)CCOCn1cnc2cccc(N(C(=O)C3CCC(=O)N3c3cc(C#N)ccn3)C(Cl)C(=O)NC3CCC(F)(F)CC3)c21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "37b83778-7921-4d05-8f1d-607677872eb1",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)Cc1nn(C)c(=O)c2c(Br)n(Cc3ccc(-c4ccccc4)cc3)cc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Cc1nn(C)c(=O)c2c(Br)n(Cc3ccc(-c4ccccc4)cc3)cc12.",
"ref_smiles": "CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccc(-c4ccccc4)cc3)cc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3d24e178-f81e-4be8-a325-bad9d3e64c62",
"task": "delete",
"question": "Modify the molecule CCOC(=O)CN(C(=O)CC(CC)C[NH3+])C1CC1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)CN(C(=O)CC(CC)C[NH3+])C1CC1",
"ref_smiles": "CCOC(=O)C(C(CC)C[NH3+])C1CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "7ce8251b-6a1e-4736-921a-b50400aa2597",
"task": "delete",
"question": "Modify the molecule CC1(C)Cc2cc(CNc3cccc(NC(N)=O)c3)ccc2O1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)Cc2cc(CNc3cccc(NC(N)=O)c3)ccc2O1",
"ref_smiles": "CC1(C)Cc2cc(CNc3cccc(NC(N)=O)c3)ccc2O1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3a41f162-f266-4060-9402-cb70c4ae602f",
"task": "delete",
"question": "Modify the molecule Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2",
"ref_smiles": "Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)NC1C2CC3CC(C2)CC1C3",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "ec49f244-9289-44f4-a054-3a27640fc0df",
"task": "delete",
"question": "Modify the molecule CCCNc1nc(C)cc(NC(C)c2ccc(F)cc2)n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCNc1nc(C)cc(NC(C)c2ccc(F)cc2)n1",
"ref_smiles": "CCCNc1nc(C)cc(NC(C))n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "cffd860e-8d00-40c7-a547-ebc4c59bc99f",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(C)c2ccc3c(Br)cc(C)c4ccc1c2c43.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C)c2ccc3c(Br)cc(C)c4ccc1c2c43.",
"ref_smiles": "Cc1ccc2ccc3c(C)cc(C)c4ccc1c2c34",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3ab71e60-eebf-4674-89d2-d9675aca0b71",
"task": "delete",
"question": "Please remove a benzene ring from the molecule NC(=[NH+]O)c1ccccc1CSc1ccccc1Br.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=[NH+]O)c1ccccc1CSc1ccccc1Br.",
"ref_smiles": "NC(=[NH+]O)c1ccccc1CSBr",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "83f294b8-5a7f-4122-8c9e-b7285da11b1e",
"task": "delete",
"question": "Modify the molecule COc1ccc(-c2cc(=O)nc(Nc3cc(OC)c(Cl)cc3OC)[nH]2)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2cc(=O)nc(Nc3cc(OC)c(Cl)cc3OC)[nH]2)cc1",
"ref_smiles": "COc1cc(=O)nc(Nc2cc(OC)c(Cl)cc2OC)[nH]1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f63455d8-103b-4ebf-8ac6-be74996ca88d",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1nc(-c2ccncc2)c(-c2ccccc2Cl)[nH]1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(-c2ccncc2)c(-c2ccccc2Cl)[nH]1.",
"ref_smiles": "Cc1nc(-c2ccncc2)c(-c2ccccc2)[nH]1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "50be3f7e-67ad-4831-8c5c-e0474cc6a24a",
"task": "delete",
"question": "Modify the molecule COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC",
"ref_smiles": "COc1ccc(S(=O)(=O)C(Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "60420f8e-c235-4e2a-b22a-bd20109d7519",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)c1csc(Cn2c(C#N)nc3cc4c(cc32)OC(F)(F)O4)c1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1csc(Cn2c(C#N)nc3cc4c(cc32)OC(F)(F)O4)c1C.",
"ref_smiles": "COC(=O)c1csc(Cn2c(C#N)nc3cc4c(cc32)OC(F)O4)c1C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "000f6656-5889-43b2-919f-b73b2c65cfb1",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])c(Cl)c1.",
"ref_smiles": "CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "58eba152-fffa-4baf-9062-c8875096858f",
"task": "delete",
"question": "Modify the molecule COc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)C)cs2)cc1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)C)cs2)cc1",
"ref_smiles": "COc1ccc(-c2nc(CC(=O)OC(=O)NC(C)C)cs2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "09efe4a5-9f1b-4c1e-8774-36f60f187461",
"task": "delete",
"question": "Modify the molecule CC(C)Oc1nc(Cl)nc(Oc2cnn(C)c2)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)Oc1nc(Cl)nc(Oc2cnn(C)c2)n1",
"ref_smiles": "CC(C)Oc1ncnc(Oc2cnn(C)c2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "a0bc05e9-982b-4227-8197-c2138e475840",
"task": "delete",
"question": "Modify the molecule COc1cc(C=NNC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C=NNC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1",
"ref_smiles": "COc1cc(C=NNC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bec7cfb4-3503-43ef-b7cf-c0a7047ab15a",
"task": "delete",
"question": "Modify the molecule CC(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCC(O)(c2nc3c(F)cc(C(=O)[O-])cc3s2)CC1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCC(O)(c2nc3c(F)cc(C(=O)[O-])cc3s2)CC1",
"ref_smiles": "CC(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCC(c2nc3c(F)cc(C(=O)[O-])cc3s2)CC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "a2f555b3-75ef-424a-89f6-6df15844b873",
"task": "delete",
"question": "Modify the molecule O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1",
"ref_smiles": "O=C(CCC(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "87e8e6c3-db7d-443e-bb42-7bea8cc9d1ce",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC1(OC)C(=O)C2=C1C1=C(CCCC1)C1CC(c3ccccc3)(c3ccccc3)C21.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC1(OC)C(=O)C2=C1C1=C(CCCC1)C1CC(c3ccccc3)(c3ccccc3)C21.",
"ref_smiles": "COC1(OC)C(=O)C2=C1C1=C(CCCC1)C1CC(c3ccccc3)C21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "321430bd-79cc-4cc7-90fa-8bbbda7d9ca4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCOCC(C)OCc1ccc(C[NH2+]C2CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOCC(C)OCc1ccc(C[NH2+]C2CC2)cc1.",
"ref_smiles": "CCOCC(C)OCC[NH2+]C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "335acde3-d36d-45e4-a93d-7f3c8aae5a72",
"task": "delete",
"question": "Modify the molecule CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccoc1)C2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccoc1)C2",
"ref_smiles": "c1cc(C[NH+]2CCC3(CCCC3)C2)co1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "3ce9a723-68e5-4e3b-acaf-f0bbe03f532a",
"task": "delete",
"question": "Please remove a amide from the molecule COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1.",
"ref_smiles": "COC(=O)c1ccc(NOCC2CCN(C(=O)c3ccncc3)CC2)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "60614dd7-931a-4c1a-bc20-af25cd527be0",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1.",
"ref_smiles": "O=C(CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ff394a6c-f3cf-4e42-ab3e-7f0a427e7938",
"task": "delete",
"question": "Please remove a amine from the molecule CNn1ccc2ccc(N)cc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNn1ccc2ccc(N)cc21.",
"ref_smiles": "Cn1ccc2ccc(N)cc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "48070aeb-760b-4b13-b1df-76a25fc9f5de",
"task": "delete",
"question": "Modify the molecule NC(=O)c1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)c1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2",
"ref_smiles": "NC(=O)c1c(OC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2",
"add_group": null,
"remove_group": "amide"
},
{
"id": "421ad330-3dbe-40bf-a296-cf0514bdba1c",
"task": "delete",
"question": "Please remove a amide from the molecule COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3C5=C(CCC=C5)CC3CN4)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(C)(C)S)c1)NCC1CC3=C(C=CCC3)N1C2=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3C5=C(CCC=C5)CC3CN4)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(C)(C)S)c1)NCC1CC3=C(C=CCC3)N1C2=O.",
"ref_smiles": "COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3C5=C(CCC=C5)CC3CN4)cc(NC(=O)CNC(=O)CNC(=O)CCC(C)(C)S)c1)NCC1CC3=C(C=CCC3)N1C2=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "60924061-1737-4919-a35c-343a99188495",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1ccc2nc(NC(=O)CN(C)C(=O)CN(C(=O)OCc3ccccc3)C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc2nc(NC(=O)CN(C)C(=O)CN(C(=O)OCc3ccccc3)C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2c1.",
"ref_smiles": "COC(=O)N(CC(=O)N(C)CC(=O)Nc1nc2ccc(C)cc2s1)C1(C)CCN(C(=O)OC(C)(C)C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "3aa5ba81-b21b-4627-9fad-b3c6f85de6c9",
"task": "delete",
"question": "Please remove a halo from the molecule NC(=O)OCCc1ccc(NC2CCN(C(=O)NCc3c(F)cccc3F)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)OCCc1ccc(NC2CCN(C(=O)NCc3c(F)cccc3F)CC2)cc1.",
"ref_smiles": "NC(=O)OCCc1ccc(NC2CCN(C(=O)NCc3ccccc3)CC2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8889a7a0-2955-4133-b2be-51a55d7c0630",
"task": "delete",
"question": "Modify the molecule Cc1ccccc1C(=O)C1CN(C)CCC[NH+]1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccccc1C(=O)C1CN(C)CCC[NH+]1C",
"ref_smiles": "CC(=O)C1CN(C)CCC[NH+]1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "08c0cc56-be89-468f-93ac-cdb3754f8c5d",
"task": "delete",
"question": "Modify the molecule Nc1cc(C(F)(F)F)cc(N2CCC([NH+]3CCCC3)C2)n1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1cc(C(F)(F)F)cc(N2CCC([NH+]3CCCC3)C2)n1",
"ref_smiles": "Nc1cc(C(F)F)cc(N2CCC([NH+]3CCCC3)C2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b34addf5-1bd3-49e2-9a5a-79bc6dc3844d",
"task": "delete",
"question": "Modify the molecule O=C1C[NH+](Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CCN1 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1C[NH+](Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CCN1",
"ref_smiles": "c1cc2cc(-c3c[nH]c4ncc(-c5ccc(C[NH+]6CC6)cc5)cc34)ccc2[nH]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "40387a37-5eec-4035-9fa4-403f62465ebf",
"task": "delete",
"question": "Please remove a amine from the molecule CNc1nc(Cl)nc2c1ncn2CC1C(COCOC)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNc1nc(Cl)nc2c1ncn2CC1C(COCOC)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.",
"ref_smiles": "COCOCC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1Cn1cnc2c(C)nc(Cl)nc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "25f5dc2c-cdaa-411d-baf7-11fb51ab0dcc",
"task": "delete",
"question": "Modify the molecule CCC1CC(Nc2cccc(N3CCCC3=O)c2)CCO1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CC(Nc2cccc(N3CCCC3=O)c2)CCO1",
"ref_smiles": "CCC1CC(c2cccc(N3CCCC3=O)c2)CCO1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "03b4c0c9-0588-4285-8f7e-25f2afff7749",
"task": "delete",
"question": "Modify the molecule Cc1nc(=O)c(CC(=O)[O-])c(N)[nH]1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(=O)c(CC(=O)[O-])c(N)[nH]1",
"ref_smiles": "Cc1nc(=O)c(CC(=O)[O-])c[nH]1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "10a1613b-e76c-423e-9a56-e7b9bf54f7b1",
"task": "delete",
"question": "Please remove a amine from the molecule O=C=NC1=CC=CN2SNC=C12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C=NC1=CC=CN2SNC=C12.",
"ref_smiles": "O=C=NC1=CC=CN2SC=C12",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7aad1edd-d11e-4ba9-a3d9-89ec9f40580f",
"task": "delete",
"question": "Modify the molecule O=C([O-])CCCCNC(=O)CN1CCCCCCC1=O by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CCCCNC(=O)CN1CCCCCCC1=O",
"ref_smiles": "O=C([O-])CCCCNC(=O)C1CCCCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "8211c8ca-bb8f-40ba-8a01-b1681f2a21ce",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCc1nnsc1C(=O)NCC(C)(O)CC(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCc1nnsc1C(=O)NCC(C)(O)CC(C)C.",
"ref_smiles": "CCCc1nnsc1C(=O)NCC(C)CC(C)C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "7f5c2722-c872-42b5-af61-9d27718417c2",
"task": "delete",
"question": "Modify the molecule CCCC([NH2+]C(C)c1ccccc1Br)C(=O)[O-] by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC([NH2+]C(C)c1ccccc1Br)C(=O)[O-]",
"ref_smiles": "CCCC([NH2+]C(C)c1ccccc1)C(=O)[O-]",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0bcc7fc1-9e74-4a41-aa18-fd9f2568a2f0",
"task": "delete",
"question": "Please remove a amide from the molecule C=C(C)C(=O)OCCCCC(=O)NCCOC(=O)C(=C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(C)C(=O)OCCCCC(=O)NCCOC(=O)C(=C)C.",
"ref_smiles": "C=C(C)C(=O)OCCCCCOC(=O)C(=C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "833e4697-25c3-4827-90c6-7cda4fa381e3",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC1(C)CC1C[NH2+]Cc1ccc(C(F)F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CC1C[NH2+]Cc1ccc(C(F)F)cc1.",
"ref_smiles": "CC1(C)CC1C[NH2+]CC(F)F",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "db876724-2511-4017-a4d8-04266e24e0f5",
"task": "delete",
"question": "Please remove a halo from the molecule CCCC1C(=O)NC(C)(CC)C(=O)N1CCC(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC1C(=O)NC(C)(CC)C(=O)N1CCC(F)(F)F.",
"ref_smiles": "CCCC1C(=O)NC(C)(CC)C(=O)N1CCC(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f127bbb7-4835-45ec-af0e-b17db25e0ce0",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule COC(=O)C1Cc2cc(OC)c(O)cc2N1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C1Cc2cc(OC)c(O)cc2N1.",
"ref_smiles": "COC(=O)C1Cc2cc(OC)ccc2N1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "3e2beff3-1d7c-4528-8699-c01a27fb116a",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)[NH+]1CCC(=NNC(=O)CCC(=O)NCc2ccccc2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)[NH+]1CCC(=NNC(=O)CCC(=O)NCc2ccccc2)CC1.",
"ref_smiles": "CC(C)[NH+]1CCC(=NNC(=O)CCc2ccccc2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "15a1b0e3-8a4b-47a7-9d9a-640cf771dc3c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCCC2c2ccccc2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCCC2c2ccccc2)C1.",
"ref_smiles": "O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCCC2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1cf95b72-956a-4ea2-a77d-ebc222ab5cfa",
"task": "delete",
"question": "Modify the molecule C[NH+]=C(NCCCSC)N1CCC(C[NH+]2CCOCC2)C1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+]=C(NCCCSC)N1CCC(C[NH+]2CCOCC2)C1",
"ref_smiles": "C[NH+]=C(CCCSC)N1CCC(C[NH+]2CCOCC2)C1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "a3fc6ce4-09e3-4152-9d74-d6021f6bf5f8",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule [C-]#[N+]c1ccc(OC23CCC(O)C(C)(C)C2CCC(C)C3(C)CC)c2c[nH]c(O)c12.\nPlease wrap the final SMILES in ....",
"src_smiles": "[C-]#[N+]c1ccc(OC23CCC(O)C(C)(C)C2CCC(C)C3(C)CC)c2c[nH]c(O)c12.",
"ref_smiles": "[C-]#[N+]c1ccc(OC23CCCC(C)(C)C2CCC(C)C3(C)CC)c2c[nH]c(O)c12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "36c7f5a3-abc7-4327-83ce-bd876d9f3043",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cccc(-c2nnc(SCC(=O)NC3CCCCCCC3)n2C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cccc(-c2nnc(SCC(=O)NC3CCCCCCC3)n2C)c1.",
"ref_smiles": "Cc1nnc(SCC(=O)NC2CCCCCCC2)n1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "be56c88c-e442-4afc-ba37-d7db770a161d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CP(Cc1ccccc1)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CP(Cc1ccccc1)c1ccccc1.",
"ref_smiles": "CPCc1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1749030d-89c0-4f31-8ea3-2ed4692ba2b2",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)COCCc2ccc(OCc3ccccc3)cc2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)COCCc2ccc(OCc3ccccc3)cc2)c1",
"ref_smiles": "CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)COCCOCc2ccccc2)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b68ec252-3707-4adb-a15e-1531a59b9db1",
"task": "delete",
"question": "Modify the molecule O=C(COc1ccccc1)N1CCCCC1c1csc(-c2ccc(C(F)(F)F)cn2)n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(COc1ccccc1)N1CCCCC1c1csc(-c2ccc(C(F)(F)F)cn2)n1",
"ref_smiles": "O=C(CO)N1CCCCC1c1csc(-c2ccc(C(F)(F)F)cn2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "ca630e70-a47c-4cb6-aed5-c230c2d88db6",
"task": "delete",
"question": "Modify the molecule O=C(NC1(CCl)CCC1)C1COCCO1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(NC1(CCl)CCC1)C1COCCO1",
"ref_smiles": "CC1(NC(=O)C2COCCO2)CCC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "461b9c43-ce72-490d-9b14-312d610f1f7d",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccn1.",
"ref_smiles": "O=C(COCl)Nc1cc(Cl)ccn1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "70a90e2a-ff07-4f2b-98a2-f23c333f9629",
"task": "delete",
"question": "Modify the molecule C[NH2+]C(Cc1ccc(OC)nc1)Cc1ccccc1F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]C(Cc1ccc(OC)nc1)Cc1ccccc1F",
"ref_smiles": "C[NH2+]C(Cc1ccccc1)Cc1ccc(OC)nc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "063a40d6-cb26-47c3-8450-cb8045654b48",
"task": "delete",
"question": "Modify the molecule CN(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1",
"ref_smiles": "CN(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d343c3ed-ec42-485f-88bd-c522eca8ec2c",
"task": "delete",
"question": "Modify the molecule CC(C=COc1c2occc2cc2ccc(=O)oc12)CO by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C=COc1c2occc2cc2ccc(=O)oc12)CO",
"ref_smiles": "CC(C)C=COc1c2occc2cc2ccc(=O)oc12",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6fcf517d-6661-4dd7-8e16-52c7faeef7d1",
"task": "delete",
"question": "Please remove a amine from the molecule CC(C)C[NH+]=C(N)NCC(C(C)C)[NH+]1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C[NH+]=C(N)NCC(C(C)C)[NH+]1CCCC1.",
"ref_smiles": "CC(C)C[NH+]=CNCC(C(C)C)[NH+]1CCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "149c7b38-8216-46a8-9b3d-731925870308",
"task": "delete",
"question": "Modify the molecule CC1(C)CCCC2(C)c3cc(-c4cc(-c5ccc6c(c5)C5(C)CCCC(C)(C)C5(C)N6c5ccccc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)c7ccc4c5c76)ccc3N(c3ccccc3)C12C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1(C)CCCC2(C)c3cc(-c4cc(-c5ccc6c(c5)C5(C)CCCC(C)(C)C5(C)N6c5ccccc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)c7ccc4c5c76)ccc3N(c3ccccc3)C12C",
"ref_smiles": "CC1(C)CCCC2(C)c3cc(-c4cc(-c5cccc6ccccc56)c5ccc6c(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)c7ccc4c5c76)ccc3NC12C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "2260285e-f02f-4649-883f-f0ca68301a2e",
"task": "delete",
"question": "Modify the molecule Cn1nc(NCC(=O)NC2C[NH+](C3CCC(O)(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cn1nc(NCC(=O)NC2C[NH+](C3CCC(O)(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21",
"ref_smiles": "Cn1nc(NCC(=O)NC2C[NH+](C3CCC(O)(c4nccs4)CC3)C2)c2cc(C(F)F)ccc21",
"add_group": null,
"remove_group": "halo"
},
{
"id": "7c408689-c3b5-4fc8-a069-035e4881888c",
"task": "delete",
"question": "Modify the molecule Cc1nc(C(C)[NH3+])n2cc(Br)ccc12 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(C(C)[NH3+])n2cc(Br)ccc12",
"ref_smiles": "Cc1nc(C(C)[NH3+])n2ccccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "23e63441-b9b5-4610-8815-6e4258424c99",
"task": "delete",
"question": "Modify the molecule CCC(C)c1ccccc1NC(=O)C(C)[NH+]1CCN(C(=O)C2CCCO2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C)c1ccccc1NC(=O)C(C)[NH+]1CCN(C(=O)C2CCCO2)CC1",
"ref_smiles": "CCC(C)NC(=O)C(C)[NH+]1CCN(C(=O)C2CCCO2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "23a73f3b-5bf6-490f-a4d0-45c4e06431ac",
"task": "delete",
"question": "Modify the molecule O=C([O-])CN1CC(=O)N(c2ccc(Cl)cc2)C1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])CN1CC(=O)N(c2ccc(Cl)cc2)C1=O",
"ref_smiles": "O=C([O-])CN1CC(=O)N(Cl)C1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7916be32-1e60-4751-9ce5-fb90cdeec3f0",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COC(=O)C1CCC[NH+](CCc2ccccc2[N+](=O)[O-])C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C1CCC[NH+](CCc2ccccc2[N+](=O)[O-])C1.",
"ref_smiles": "COC(=O)C1CCC[NH+](CC[N+](=O)[O-])C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1dc7a03e-57a0-4117-a7e4-7436d5556cf2",
"task": "delete",
"question": "Please remove a amide from the molecule CCN(CC1CCC[NH2+]1)c1ccc(C(=O)N(C)C)nn1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(CC1CCC[NH2+]1)c1ccc(C(=O)N(C)C)nn1.",
"ref_smiles": "CCN(CC1CCC[NH2+]1)c1cc-n(CC)n1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1dea7c42-135a-452e-b04f-e55de0ad188c",
"task": "delete",
"question": "Please remove a amine from the molecule O=C([O-])C1(CS(=O)(=O)NCC2CC2)CCCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C1(CS(=O)(=O)NCC2CC2)CCCCC1.",
"ref_smiles": "O=C([O-])C1(CS(=O)(=O)CC2CC2)CCCCC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "71f2cc21-0fc9-4d4d-842b-882f8c1c743f",
"task": "delete",
"question": "Modify the molecule C=S1CC(CC=O)=C(C)N2C(=O)C(NP)C21 by removing a aldehyde.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=S1CC(CC=O)=C(C)N2C(=O)C(NP)C21",
"ref_smiles": "C=S1CC=C(C)N2C(=O)C(NP)C21",
"add_group": null,
"remove_group": "aldehyde"
},
{
"id": "6b42e624-21d3-477c-843e-e93296eb4090",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C([O-])c1c(Br)nnn1Cc1cccc(F)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])c1c(Br)nnn1Cc1cccc(F)c1.",
"ref_smiles": "O=C([O-])c1c(Br)nnn1CF",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "c1238a9f-dc3f-4493-9b3a-a75d1a4ef95c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C(C(=O)[O-])CO2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C(C(=O)[O-])CO2.",
"ref_smiles": "COc1ccc2c(c1)CCC1C2CCC2(C)OCC(C(=O)[O-])C12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e13c7f7c-fd25-4392-80cf-a2f80dcc2180",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCn1c(O)c2c(c1O)CCCC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCn1c(O)c2c(c1O)CCCC2.",
"ref_smiles": "CCn1cc2c(c1O)CCCC2",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "d7a52a53-69c5-45e3-ab28-550f4f6fa837",
"task": "delete",
"question": "Modify the molecule COc1nn(C)c(F)c1C(F)(F)F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1nn(C)c(F)c1C(F)(F)F",
"ref_smiles": "COc1nn(C)c(F)c1C(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b54f10bc-821a-4c9c-b4d9-3269b8eac38b",
"task": "delete",
"question": "Please remove a halo from the molecule [NH3+]C1C2CC3(F)CC1CC(F)(C2)C3.\nPlease wrap the final SMILES in ....",
"src_smiles": "[NH3+]C1C2CC3(F)CC1CC(F)(C2)C3.",
"ref_smiles": "[NH3+]C1C2CC3CC1CC(C2)C3",
"add_group": null,
"remove_group": "halo"
},
{
"id": "e4e557cc-f4b5-451c-aeaa-90b92d500d77",
"task": "delete",
"question": "Please remove a benzene ring from the molecule Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n(-c2ccc([N+](=O)[O-])cc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n(-c2ccc([N+](=O)[O-])cc2)n1.",
"ref_smiles": "Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n([N+](=O)[O-])n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1fcaf9c2-5f58-4851-8510-88de2ea14404",
"task": "delete",
"question": "Modify the molecule COc1ccc(CNC(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)cc1OC by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CNC(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)cc1OC",
"ref_smiles": "COC(NC(=O)c1cc(N(C)C2CCCCC2)nc2ccccc12)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "80b00ff4-2959-48e5-820d-bbf2daa998a7",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCCC1CCN(C(=O)C(C(N)=[NH+]O)C(C)C)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCC1CCN(C(=O)C(C(N)=[NH+]O)C(C)C)CC1.",
"ref_smiles": "CCCC1CCN(C(=O)C(C(=[NH+])N)C(C)C)CC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "de6ff071-153a-4d1f-a67f-027ea56f7884",
"task": "delete",
"question": "Please remove a amine from the molecule Cc1ccc(CCNS(=O)(=O)c2ccc(F)cc2F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CCNS(=O)(=O)c2ccc(F)cc2F)cc1.",
"ref_smiles": "Cc1ccc(CCS(=O)(=O)c2ccc(F)cc2F)cc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "bd5491e0-5be0-49c6-8a4e-7c25759de66b",
"task": "delete",
"question": "Modify the molecule N#CCCCn1c(CN2C(=O)C3(CCN(C(=O)OC4CC4)CC3)c3ccncc32)cc2cc(Cl)ccc21 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "N#CCCCn1c(CN2C(=O)C3(CCN(C(=O)OC4CC4)CC3)c3ccncc32)cc2cc(Cl)ccc21",
"ref_smiles": "N#CCCCn1c(CC2CN(C(=O)OC3CC3)CC2c2ccncc2)cc2cc(Cl)ccc21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "4fe01c3c-11b1-4ea0-9f28-6d678c30724c",
"task": "delete",
"question": "Modify the molecule Cc1cc(-c2cccc(C(=O)N3CC4CCC(C3)C(=O)N4)c2)c(=O)[nH]c1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(-c2cccc(C(=O)N3CC4CCC(C3)C(=O)N4)c2)c(=O)[nH]c1C",
"ref_smiles": "Cc1cc(C(=O)N2CC3CCC(C2)C(=O)N3)c(=O)[nH]c1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0ab75c73-72b4-446b-ae65-cfe21070ed74",
"task": "delete",
"question": "Modify the molecule COC1CCC(OC2OC(C(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(C(=O)[O-])C(OC6OC(O)C(OC)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC1CCC(OC2OC(C(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(C(=O)[O-])C(OC6OC(O)C(OC)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O",
"ref_smiles": "COC1CCC(OC2OC(C(=O)[O-])C(OC3CC(O)C(OC4OC(C(=O)[O-])C(OC5OC(C(=O)[O-])C(OC6OC(O)C(OC)C(O)C6O)C(O)C5O)C(O)C4O)C(C(=O)[O-])O3)C(O)C2O)C(O)C1O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "cdf70f8d-270c-4226-acba-4f12127432a4",
"task": "delete",
"question": "Please remove a amide from the molecule CC(C)(C)C=CC(=O)Nc1ccc(Cl)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)C=CC(=O)Nc1ccc(Cl)cc1.",
"ref_smiles": "CC(C)(C)Cc1ccc(Cl)cc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "bd8f38a2-99dc-4165-98bb-81697b768232",
"task": "delete",
"question": "Please remove a halo from the molecule O=[N+]([O-])c1ccc(CC(Br)c2cccc(I)c2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=[N+]([O-])c1ccc(CC(Br)c2cccc(I)c2)cc1.",
"ref_smiles": "O=[N+]([O-])c1ccc(CCc2cccc(I)c2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ebf1a2cb-75c8-469c-86fe-8c5144edc46f",
"task": "delete",
"question": "Modify the molecule CC(Cc1ccc(Cl)cc1)[NH2+]CC1(C)CCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(Cc1ccc(Cl)cc1)[NH2+]CC1(C)CCC1",
"ref_smiles": "CC(CCl)[NH2+]CC1(C)CCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "affbf151-2f97-4fea-a0b0-ea1cdd1a6b57",
"task": "delete",
"question": "Modify the molecule Cc1cc(S(=O)(=O)Cl)n(-c2ccc(Cl)cc2)n1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(S(=O)(=O)Cl)n(-c2ccc(Cl)cc2)n1",
"ref_smiles": "Cc1cc(S(=O)(=O)Cl)n(Cl)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "18f8e120-7983-4175-a715-52a586fd0e52",
"task": "delete",
"question": "Modify the molecule Cc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCC[NH2+]CC2)cc1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCC[NH2+]CC2)cc1C",
"ref_smiles": "CCc1nc2ccc(Cl)cn2c1CN1CCC[NH2+]CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "4496f585-f7f2-47c8-b21c-080230ce307b",
"task": "delete",
"question": "Modify the molecule COc1cccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 by removing a nitro.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1",
"ref_smiles": "COc1cccc(C=NNC(=O)Cc2ccccc2)c1OCc1cccc(C(=O)[O-])c1",
"add_group": null,
"remove_group": "nitro"
},
{
"id": "bad72acf-3c4c-4be9-8aee-a3e19ead456a",
"task": "delete",
"question": "Modify the molecule CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21",
"ref_smiles": "CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(Nc3ccccc3)cc21",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "66dfce64-ed77-4385-9b7f-160762ac089f",
"task": "delete",
"question": "Modify the molecule CCCCn1nc2n(Cc3ccc(CC)cc3)c(=O)c3sccc3n2c1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCn1nc2n(Cc3ccc(CC)cc3)c(=O)c3sccc3n2c1=O",
"ref_smiles": "CCCCn1nc2n(CCC)c(=O)c3sccc3n2c1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "fb08e8af-1c90-43fb-a1f6-a98d656816ee",
"task": "delete",
"question": "Modify the molecule C#CCC1(CC=C)C(=O)CCCC1O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "C#CCC1(CC=C)C(=O)CCCC1O",
"ref_smiles": "C#CCC1(CC=C)CCCCC1=O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "6870321f-f44f-49b1-b291-c112f972ae04",
"task": "delete",
"question": "Modify the molecule Cc1c(NS(=O)(=O)c2ccc(CCCC3CC[NH+](C)CC3)cc2)c(CC2CC2)nn1C by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(NS(=O)(=O)c2ccc(CCCC3CC[NH+](C)CC3)cc2)c(CC2CC2)nn1C",
"ref_smiles": "Cc1c(S(=O)(=O)c2ccc(CCCC3CC[NH+](C)CC3)cc2)c(CC2CC2)nn1C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7c3a5e09-d67d-4a8c-b975-2930fef20fdd",
"task": "delete",
"question": "Please remove a halo from the molecule CC#CCC(Cc1ccc(Cl)cc1)[NH2+]C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC#CCC(Cc1ccc(Cl)cc1)[NH2+]C.",
"ref_smiles": "CC#CCC(Cc1ccccc1)[NH2+]C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "3f792d27-ae07-41b3-b4f6-f363c2700bf8",
"task": "delete",
"question": "Please remove a amine from the molecule NC(=O)c1cccnc1NC1CCCc2ccccc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)c1cccnc1NC1CCCc2ccccc21.",
"ref_smiles": "NC(=O)c1cccnc1C1CCCc2ccccc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "0c071823-9657-4761-adc2-88eb3c01972c",
"task": "delete",
"question": "Modify the molecule FC1CCC2SC1CCC2F by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "FC1CCC2SC1CCC2F",
"ref_smiles": "FC1CCC2CCCC1S2",
"add_group": null,
"remove_group": "halo"
},
{
"id": "363a672a-0f36-4033-ab92-6b1338009fd9",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1ccc(CN(C2CC2)S(=O)(=O)CCl)o1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(CN(C2CC2)S(=O)(=O)CCl)o1.",
"ref_smiles": "Cc1ccc(CN(C2CC2)S(C)(=O)=O)o1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "87173907-9bef-4821-aba4-a3c7adb74f38",
"task": "delete",
"question": "Modify the molecule CCCN1C[NH+](CCC)C=C2NC(c3ccc(OCC#Cc4cccc(F)c4)cc3)[NH+]=C21 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCN1C[NH+](CCC)C=C2NC(c3ccc(OCC#Cc4cccc(F)c4)cc3)[NH+]=C21",
"ref_smiles": "CCCN1C[NH+](CCC)C=C2NC(c3ccc(OCC#Cc4cccc(F)c4)cc3)C21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "17a6a1b8-899c-4ec9-a319-b69aa3d81d92",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC(C#Cc1cccc(Oc2cccc(Cl)n2)c1)N(O)C(N)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C#Cc1cccc(Oc2cccc(Cl)n2)c1)N(O)C(N)=O.",
"ref_smiles": "CC(C#Cc1cccc(Oc2cccc(Cl)n2)c1)NC(N)=O",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "30f07be3-0241-4bb3-8b88-4e8d57bb1624",
"task": "delete",
"question": "Modify the molecule CC1=C(O[Si](C)(C)C(C)(C)C)CCCCC(c2ccccc2)=C1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1=C(O[Si](C)(C)C(C)(C)C)CCCCC(c2ccccc2)=C1",
"ref_smiles": "CC1=C(O[Si](C)(C)C(C)(C)C)CCCCC=C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f98f0927-d296-4c6a-b354-7a5c64b6a6a6",
"task": "delete",
"question": "Modify the molecule CC(C)(C)OC(=O)[N-]C(=O)C1CC(F)(F)CN1C(C)(C)C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)OC(=O)[N-]C(=O)C1CC(F)(F)CN1C(C)(C)C",
"ref_smiles": "CC(C)(C)OC(=O)[N-]C(=O)C1CC(F)CN1C(C)(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "475e034f-90ec-44ef-82c5-d1654f130ba1",
"task": "delete",
"question": "Modify the molecule C[NH2+]CCNC(=O)C1=CC=C(C2=CNC(=C(C(N)=[NH2+])c3ccccn3)N=C2)CC1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH2+]CCNC(=O)C1=CC=C(C2=CNC(=C(C(N)=[NH2+])c3ccccn3)N=C2)CC1",
"ref_smiles": "C[NH2+]CCNC(=O)C1=CC=C(C2=CNC(=C(CN)c3ccccn3)N=C2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "1f56159c-d358-4e5e-8c8a-11e28dfcf575",
"task": "delete",
"question": "Please remove a amine from the molecule CCOC(=O)c1c(NC(=CC(=O)c2ccccc2)C(=O)N2CCCCC2)sc2c1CCCC2.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1c(NC(=CC(=O)c2ccccc2)C(=O)N2CCCCC2)sc2c1CCCC2.",
"ref_smiles": "CCOC(=O)c1c(C(=CC(=O)c2ccccc2)C(=O)N2CCCCC2)sc2c1CCCC2",
"add_group": null,
"remove_group": "amine"
},
{
"id": "9d2e625a-f7ce-4542-b1c1-bc3cd711dbbc",
"task": "delete",
"question": "Please remove a halo from the molecule Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)C(C)C)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)C(C)C)CC1.",
"ref_smiles": "Cc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)C(C)C)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bebfde1b-0153-44c3-9ad7-2e1630b1aa22",
"task": "delete",
"question": "Modify the molecule COCCC(C)(C)C[NH2+]Cc1cccc(Br)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCC(C)(C)C[NH2+]Cc1cccc(Br)c1",
"ref_smiles": "COCCC(C)(C)C[NH2+]Cc1ccccc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "736a1779-a8d5-46e8-9f9d-6075736aee4c",
"task": "delete",
"question": "Modify the molecule CN1C(=O)COC2CCN(C(=O)CCCn3cncn3)CCC21 by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CN1C(=O)COC2CCN(C(=O)CCCn3cncn3)CCC21",
"ref_smiles": "CN1C(=O)COC2CCC(CCn3cncn3)CC21",
"add_group": null,
"remove_group": "amide"
},
{
"id": "dd526974-4945-43f2-8b2f-d3562bf61d3c",
"task": "delete",
"question": "Please remove a benzene ring from the molecule c1cc(C2CC2)ccc1CCC[NH+]1CCCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1cc(C2CC2)ccc1CCC[NH+]1CCCC1.",
"ref_smiles": "[NH+]1CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "23edb16a-8e17-4b59-9ff0-2d1a31461254",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1.",
"ref_smiles": "NC(=O)C[NH+]1CCC(C[NH3+])CC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "620f889d-6c90-44f9-81cf-819699eb5e71",
"task": "delete",
"question": "Modify the molecule O=C([O-])C1c2ccccc2CCN1C(=O)C1CC(=O)N(CC(F)(F)F)C1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C1c2ccccc2CCN1C(=O)C1CC(=O)N(CC(F)(F)F)C1",
"ref_smiles": "O=C([O-])C1c2ccccc2CCN1C(=O)C1CC(=O)N(CC(F)F)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "bde6bde0-ff87-4b3d-b872-d0e18e889185",
"task": "delete",
"question": "Please remove a halo from the molecule CC(c1ccc(Cl)cc1)[NH+](C)CC(=O)C(C)(C)C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(c1ccc(Cl)cc1)[NH+](C)CC(=O)C(C)(C)C.",
"ref_smiles": "CC(c1ccccc1)[NH+](C)CC(=O)C(C)(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1be8719b-9543-4d9c-9f69-376fc0ebbbe6",
"task": "delete",
"question": "Please remove a amide from the molecule CCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1.",
"ref_smiles": "CCC(Cc1ccccc1Cl)(C(=O)NC1CCCCC1)N(c1ccccc1F)S(=O)(=O)c1ccccc1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "72773a05-efdc-475e-be0a-fd795a3beda4",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1cc(C)c(C2([NH3+])CCCC(C)CC2)cc1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C)c(C2([NH3+])CCCC(C)CC2)cc1C.",
"ref_smiles": "COCCC1([NH3+])CCCC(C)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1b7fb44b-af56-4404-8114-39fba010ad98",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COCCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.",
"ref_smiles": "COCCC(=O)N1CC(S(=O)(=O)F)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e28ed0de-0213-4786-be76-51a33b8e9be6",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)C(C)C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)C(C)C)cc1.",
"ref_smiles": "CC(C)NC(=O)N(Cc1nc(C(=O)N2CCC(C(N)=O)CC2)cs1)C(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7ec7224f-f9a1-423e-9737-78e6af699c4c",
"task": "delete",
"question": "Please remove a halo from the molecule CC(Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.",
"ref_smiles": "CC(Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "d70a9c92-8ac2-446a-a8c0-8b24f87ebfda",
"task": "delete",
"question": "Modify the molecule CC(C)C(F)C(=O)N1C(=O)OC(C)(C)C1C(C)C by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)C(F)C(=O)N1C(=O)OC(C)(C)C1C(C)C",
"ref_smiles": "CC(C)CC(=O)N1C(=O)OC(C)(C)C1C(C)C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "76a409cc-801f-478c-b5cd-f565200d789b",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC(c3nc(C)cs3)CC2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC(c3nc(C)cs3)CC2)cc1.",
"ref_smiles": "CCS(=O)(=O)CCOS(=O)(=O)N1CCC(c2nc(C)cs2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "82de600e-d3ef-42cb-a5c0-d21da404f3a1",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCc1ccccc1N(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1ccccc1N(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O.",
"ref_smiles": "CCN(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "0a6d116a-a89d-441f-8d73-9869f0faca8e",
"task": "delete",
"question": "Please remove a amine from the molecule CCCCOC(=O)C(CC)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)Oc1ccccc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCOC(=O)C(CC)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)Oc1ccccc1.",
"ref_smiles": "CCCCOC(=O)C(CC)NP(=O)(COCCn1cnc2c(NC3CC3)ncnc21)Oc1ccccc1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "58af125e-8c21-4784-89b3-32bcc59c18ce",
"task": "delete",
"question": "Please remove a halo from the molecule Nc1ccc(N2CCC(Cn3ccc4ccccc43)CC2)c(Cl)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1ccc(N2CCC(Cn3ccc4ccccc43)CC2)c(Cl)c1.",
"ref_smiles": "Nc1ccc(N2CCC(Cn3ccc4ccccc43)CC2)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "322b736f-5a60-482b-8528-0f7f5bbd5b13",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CCC(O)COCC[NH+](C)CCOCC1COCC[NH+]1C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC(O)COCC[NH+](C)CCOCC1COCC[NH+]1C.",
"ref_smiles": "CCCCOCC[NH+](C)CCOCC1COCC[NH+]1C",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e83b1658-852b-4448-9100-2ea34480ac79",
"task": "delete",
"question": "Modify the molecule COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC",
"ref_smiles": "COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1OC",
"add_group": null,
"remove_group": "halo"
},
{
"id": "4b7ffc39-665d-4201-ad2b-ef4d434b2a00",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule CC1=CC(C(O)C(C)C)C(=O)O1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1=CC(C(O)C(C)C)C(=O)O1.",
"ref_smiles": "CC1=CC(CC(C)C)C(=O)O1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "09f58a71-7fb9-4e03-9061-3cb42313ad33",
"task": "delete",
"question": "Modify the molecule Cc1ccc(NCc2ccc(C(=O)[O-])cc2Br)c(C)c1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(NCc2ccc(C(=O)[O-])cc2Br)c(C)c1",
"ref_smiles": "Cc1ccc(Cc2ccc(C(=O)[O-])cc2Br)c(C)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "19657ee0-d687-45e4-b9a9-16a316ff0a92",
"task": "delete",
"question": "Modify the molecule C[NH+](C)CCNc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "C[NH+](C)CCNc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1",
"ref_smiles": "C[NH+](C)CCNc1cccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCC7)c6)cc45)cc23)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "351423a3-94bf-49f1-86bd-cb4c5c5f2d27",
"task": "delete",
"question": "Modify the molecule Cc1nc(N2CCCCO2)ncc1Br by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1nc(N2CCCCO2)ncc1Br",
"ref_smiles": "Cc1ccnc(N2CCCCO2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "63cf0cb6-4057-4509-afd6-1d11f65ecbc4",
"task": "delete",
"question": "Modify the molecule C=CCC(C)NC(N)=[NH+]CC by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CCC(C)NC(N)=[NH+]CC",
"ref_smiles": "C=CCC(C)C(N)=[NH+]CC",
"add_group": null,
"remove_group": "amine"
},
{
"id": "5a797d34-70c5-4f3c-a828-da4a312b6e4e",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(Cc1ccccc1F)NCc1[nH+]cc2ccccn12.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Cc1ccccc1F)NCc1[nH+]cc2ccccn12.",
"ref_smiles": "O=C(CF)NCc1[nH+]cc2ccccn12",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "f6acb7d7-f4ca-4d2c-96aa-15fcaa480b11",
"task": "delete",
"question": "Please remove a benzene ring from the molecule c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4nc6ccc7ccccc7c6nc4O5)c3)n2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4nc6ccc7ccccc7c6nc4O5)c3)n2)cc1.",
"ref_smiles": "c1ccc(-c2ncnc(-c3cccc(-c4ccc5c(c4)Oc4nc6ccc7ccccc7c6nc4O5)c3)n2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "655543dc-ad61-4d2e-8bca-3184b5ed7421",
"task": "delete",
"question": "Please remove a amine from the molecule O=CN1CCN(c2nc(NCCC3=CCCCC3)cc(-c3ccccc3)n2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=CN1CCN(c2nc(NCCC3=CCCCC3)cc(-c3ccccc3)n2)CC1.",
"ref_smiles": "O=CN1CCN(c2nc(CCC3=CCCCC3)cc(-c3ccccc3)n2)CC1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "65e8bb38-5c49-4f1e-9ae0-1e6c15e47ca5",
"task": "delete",
"question": "Modify the molecule CC1CC([NH2+]C2CCc3c(O)cccc32)CCO1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC([NH2+]C2CCc3c(O)cccc32)CCO1",
"ref_smiles": "CC1CC([NH2+]C2CCc3ccccc32)CCO1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "e596153d-5684-4540-8293-316ba0275eac",
"task": "delete",
"question": "Modify the molecule CNC(=O)OCCNc1ccc2[nH+]cc(-c3ccc(CC#N)cc3)n2n1 by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CNC(=O)OCCNc1ccc2[nH+]cc(-c3ccc(CC#N)cc3)n2n1",
"ref_smiles": "CNC(=O)OCCNc1ccc2[nH+]cc(-c3ccc(C)cc3)n2n1",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "6b0a988e-1751-4e0a-9e03-934644524f22",
"task": "delete",
"question": "Please remove a halo from the molecule CC(OC(=O)c1cc(F)cc(F)c1)C1CCC2C3CCC4[NH+](C)CCCC4(C)C3CCC12C.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(OC(=O)c1cc(F)cc(F)c1)C1CCC2C3CCC4[NH+](C)CCCC4(C)C3CCC12C.",
"ref_smiles": "CC(OC(=O)c1cccc(F)c1)C1CCC2C3CCC4[NH+](C)CCCC4(C)C3CCC12C",
"add_group": null,
"remove_group": "halo"
},
{
"id": "6615648c-cccf-47e9-87e5-29e6aec8ae0d",
"task": "delete",
"question": "Please remove a amine from the molecule Nc1cc(N)nc(SCC(=O)[O-])n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Nc1cc(N)nc(SCC(=O)[O-])n1.",
"ref_smiles": "Nc1ccnc(SCC(=O)[O-])n1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "58765a5f-7d5a-4ff4-a103-fe891eb4beb2",
"task": "delete",
"question": "Modify the molecule COC(C)(CCOOC1(OOCCC(C)(OC)OO)CCCCC1)OO by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(C)(CCOOC1(OOCCC(C)(OC)OO)CCCCC1)OO",
"ref_smiles": "COC(C)(CCOOC1(OOCCC(C)(OC)OO)CCCCC1)OO",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "f519bba3-e15b-4ff2-955a-24a4cbd0fc1b",
"task": "delete",
"question": "Modify the molecule CC(C)(C)n1sc(-c2ccccc2)c(Cl)c1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)n1sc(-c2ccccc2)c(Cl)c1=O",
"ref_smiles": "CC(C)(C)n1scc(Cl)c1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "087d6d1a-d21b-46f6-a342-d01b49394df5",
"task": "delete",
"question": "Please remove a benzene ring from the molecule O=C(Nc1cccc(OCc2cscn2)c1)c1ccnc(Nc2ccncc2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Nc1cccc(OCc2cscn2)c1)c1ccnc(Nc2ccncc2)n1.",
"ref_smiles": "O=C(NOCc1cscn1)c1ccnc(Nc2ccncc2)n1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1d525704-f14b-4f0b-b0e7-2be01a5bf9df",
"task": "delete",
"question": "Modify the molecule CCOC(=O)C1=C(OC(C)C#Cc2ccccc2)CCCC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)C1=C(OC(C)C#Cc2ccccc2)CCCC1",
"ref_smiles": "C#CC(C)OC1=C(C(=O)OCC)CCCC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d6aa69e7-ed14-4224-b041-9418d1f53563",
"task": "delete",
"question": "Modify the molecule CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1",
"ref_smiles": "CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCc2ccccc2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9748d0fb-a6cc-455c-bb22-3e1bdf1580f8",
"task": "delete",
"question": "Modify the molecule CCCCn1ccc(-c2cc(OCC[NH+]3CCOCC3)ccc2OC(C)C)c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCn1ccc(-c2cc(OCC[NH+]3CCOCC3)ccc2OC(C)C)c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O",
"ref_smiles": "CCCCn1ccc(-c2cc(OCC[NH+]3CCOCC3)ccc2OC(C)C)c(NC(=O)NC(C)(C)C(C)C)c1=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "73ff3eea-b49a-4462-b779-928a876763da",
"task": "delete",
"question": "Modify the molecule CCN(CC)C(=O)C(C)[NH2+]C1CC(OC)C1(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCN(CC)C(=O)C(C)[NH2+]C1CC(OC)C1(C)C",
"ref_smiles": "COC1CC([NH2+]C(C)C(C)C)C1(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "1410f238-8547-4e7f-802b-97b7c1832717",
"task": "delete",
"question": "Modify the molecule CC1CC(C)C[NH+](CC(C)NC(=O)N2CCC3(O)CCCCC3C2)C1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CC(C)C[NH+](CC(C)NC(=O)N2CCC3(O)CCCCC3C2)C1",
"ref_smiles": "CC1CC(C)C[NH+](CC(C)NC(=O)N2CCC3CCCCC3C2)C1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "44af122a-0f33-474f-9788-366e7e160080",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COCCC[NH+](C)C(C(=O)OC)c1ccccc1Cl.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCC[NH+](C)C(C(=O)OC)c1ccccc1Cl.",
"ref_smiles": "COCCC[NH+](C)C(Cl)C(=O)OC",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "e5aa787f-3471-459c-90f1-624b6bbdc600",
"task": "delete",
"question": "Please remove a amide from the molecule O=C(CCC1CC[NH2+]C1)Nc1nc(C[NH+]2CCOCC2)cs1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CCC1CC[NH2+]C1)Nc1nc(C[NH+]2CCOCC2)cs1.",
"ref_smiles": "c1sc(CC2CC[NH2+]C2)nc1C[NH+]1CCOCC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "aa5f2cbd-8ae0-48c4-bb19-cd49d316843a",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1cccc(OCc2[nH+]c(Br)cn2C)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cccc(OCc2[nH+]c(Br)cn2C)c1.",
"ref_smiles": "COOCc1[nH+]c(Br)cn1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7f01e2e8-9be7-4870-93e4-eeaa7e01a862",
"task": "delete",
"question": "Modify the molecule CCc1cccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCc1cccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1",
"ref_smiles": "CCc1cccc(CN(COC)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "d0388636-3b7e-412d-92c6-c35293b67fc7",
"task": "delete",
"question": "Modify the molecule CCCCCCCCC=CCCCCCCCC(=O)NCCCCCC(=O)N1CC(OC(=O)CCC(=O)[O-])CC1C(OCc1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCCCCC=CCCCCCCCC(=O)NCCCCCC(=O)N1CC(OC(=O)CCC(=O)[O-])CC1C(OCc1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1",
"ref_smiles": "CCCCCCCCC=CCCCCCCCC(=O)NCCCCCC(=O)N1CC(OC(=O)CCC(=O)[O-])CC1C(OCc1ccc(OC)cc1)c1ccc(OC)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9ad5e471-021f-4f94-aa77-e216b681d2c7",
"task": "delete",
"question": "Modify the molecule Brc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Brc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1",
"ref_smiles": "Brc1nc2nc3ccccc3nc2n1-c1ccccc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "57a495a9-d203-41b7-a16c-7d8c763390d3",
"task": "delete",
"question": "Please remove a amide from the molecule COC(=O)C(C)C1CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)C(C)C1CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C.",
"ref_smiles": "COC(=O)C(C)C1CCC2C3CCC4(C)CC4(C)C3CCC12C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "089e91d7-13e9-4693-a571-d45ac8fcd6f9",
"task": "delete",
"question": "Modify the molecule CC1CCCC[NH+]1Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1CCCC[NH+]1Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1",
"ref_smiles": "CC1CCCC[NH+]1CNC(=O)CCc1ccc2c(c1)OCCO2",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9d72f11b-517d-45ce-8368-cc3b691342d7",
"task": "delete",
"question": "Please remove a halo from the molecule COCC1CC[NH+](CCCS(=O)(=O)Cl)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCC1CC[NH+](CCCS(=O)(=O)Cl)C1.",
"ref_smiles": "COCC1CC[NH+](CCC[SH](=O)=O)C1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "990281e5-993a-402d-b719-fdaf06ae3839",
"task": "delete",
"question": "Modify the molecule CC(C)CCCCCCNC(=O)COc1ccccc1C#N by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)CCCCCCNC(=O)COc1ccccc1C#N",
"ref_smiles": "CC(C)CCCCCCNC(=O)COC#N",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "502ce2b6-e3dd-4b28-bc25-959b5dddad28",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCCOc1ccccc1C=CC(=O)NC1CCCN(C(=O)NCC2CCCO2)C1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCOc1ccccc1C=CC(=O)NC1CCCN(C(=O)NCC2CCCO2)C1.",
"ref_smiles": "CCCOC=CC(=O)NC1CCCN(C(=O)NCC2CCCO2)C1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "b3420c80-09b0-4b40-a222-cbd010aad240",
"task": "delete",
"question": "Modify the molecule O=C([O-])C1CCC(C(=O)NC2(c3cccc(Cl)c3)CC2)[NH+]1C1CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C([O-])C1CCC(C(=O)NC2(c3cccc(Cl)c3)CC2)[NH+]1C1CC1",
"ref_smiles": "O=C([O-])C1CCC(C(=O)NC2(Cl)CC2)[NH+]1C1CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "10254510-e917-4961-9fcc-6e982f787704",
"task": "delete",
"question": "Please remove a benzene ring from the molecule COc1ccc(CC[Si](C)(C)C)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1ccc(CC[Si](C)(C)C)cc1.",
"ref_smiles": "COCC[Si](C)(C)C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "93963492-f6ce-4a2f-bcd3-8590cccee659",
"task": "delete",
"question": "Modify the molecule CC(C)(C)CCCNC(=O)N1CCOCC1CC(O)c1ccco1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)CCCNC(=O)N1CCOCC1CC(O)c1ccco1",
"ref_smiles": "CC(C)(C)CCCNC(=O)N1CCOCC1CCc1ccco1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "fa3c411e-c13c-46fd-b3ba-700113f86f9c",
"task": "delete",
"question": "Modify the molecule CCNC(NCCC(C)C)=[NH+]CCCc1nc(C)no1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NCCC(C)C)=[NH+]CCCc1nc(C)no1",
"ref_smiles": "CCNC(CCCc1nc(C)no1)NCCC(C)C",
"add_group": null,
"remove_group": "amine"
},
{
"id": "4e22e5c3-afae-46a9-a09c-9f82afc85a05",
"task": "delete",
"question": "Please remove a halo from the molecule CC(C)(C)CC1[NH2+]C(C(=O)NCCC2CCCCC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)(C)CC1[NH2+]C(C(=O)NCCC2CCCCC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12.",
"ref_smiles": "CC(C)(C)CC1[NH2+]C(C(=O)NCCC2CCCCC2)C(c2cccccc2)C12C(=O)Nc1ccccc12",
"add_group": null,
"remove_group": "halo"
},
{
"id": "0fe0ed1d-5329-41a0-995f-eb7d226889db",
"task": "delete",
"question": "Please remove a benzene ring from the molecule CCNC(NCC(O)c1ccc(OC(F)F)cc1)=[NH+]Cc1ccc(-n2cncn2)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCNC(NCC(O)c1ccc(OC(F)F)cc1)=[NH+]Cc1ccc(-n2cncn2)cc1.",
"ref_smiles": "CCNC(NCC(O)OC(F)F)=[NH+]Cc1ccc(-n2cncn2)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1375a6c5-c9cf-484e-a317-bfbbc8cb0504",
"task": "delete",
"question": "Modify the molecule COCOc1cc(C=C(CCC(OC)OC)S(=O)c2ccc(C)cc2)c(OCOC)cc1C=C(CCC(OC)OC)S(=O)c1ccc(C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCOc1cc(C=C(CCC(OC)OC)S(=O)c2ccc(C)cc2)c(OCOC)cc1C=C(CCC(OC)OC)S(=O)c1ccc(C)cc1",
"ref_smiles": "COCOc1cc(C=C(CCC(OC)OC)S(=O)c2ccc(C)cc2)c(OCOC)cc1C=C(CCC(OC)OC)S(C)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "1dada884-4f04-43c0-9975-42ac565d29a9",
"task": "delete",
"question": "Modify the molecule COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1([NH3+])CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1([NH3+])CC1",
"ref_smiles": "COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)cc3)ccnc2cc1OCC1([NH3+])CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "b40ffaaf-19e6-46ee-b00c-355af22673c4",
"task": "delete",
"question": "Modify the molecule CCCCN(CCCC)C(=O)C1C(C(=O)[O-])C1(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCN(CCCC)C(=O)C1C(C(=O)[O-])C1(C)C",
"ref_smiles": "CCCCC1(C(=O)[O-])C(CCC)C1(C)C",
"add_group": null,
"remove_group": "amide"
},
{
"id": "d5308e89-50a5-4bc1-978a-8b1bf15f3162",
"task": "delete",
"question": "Please remove a halo from the molecule COC(=O)Nc1cc(Cl)c2ccn(Cc3cnc[nH]3)c2c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)Nc1cc(Cl)c2ccn(Cc3cnc[nH]3)c2c1.",
"ref_smiles": "COC(=O)Nc1ccc2ccn(Cc3cnc[nH]3)c2c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "f0f4a500-4f24-4520-a9ff-f585adac89a1",
"task": "delete",
"question": "Please remove a halo from the molecule C=C(OC(=O)C(F)(F)F)c1c(OC(=O)C(F)(F)F)cccc1OC(=O)C(F)(F)F.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=C(OC(=O)C(F)(F)F)c1c(OC(=O)C(F)(F)F)cccc1OC(=O)C(F)(F)F.",
"ref_smiles": "C=C(OC(=O)C(F)(F)F)c1c(OC(=O)C(F)F)cccc1OC(=O)C(F)(F)F",
"add_group": null,
"remove_group": "halo"
},
{
"id": "501965ac-73c4-41a2-b6a3-18871c3d6313",
"task": "delete",
"question": "Please remove a halo from the molecule O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2c(O)ccc3ccccc23)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2c(O)ccc3ccccc23)CC1.",
"ref_smiles": "O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](Cc2c(O)ccc3ccccc23)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "ff668576-169f-4e65-9830-8a7c187b589d",
"task": "delete",
"question": "Modify the molecule COCCn1ncc(Br)c1C(=O)c1ccc(F)c(OC)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "COCCn1ncc(Br)c1C(=O)c1ccc(F)c(OC)c1",
"ref_smiles": "COCCn1ncc(Br)c1C(=O)c1cccc(OC)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "9e322b64-c739-430e-a4f6-0b9d7ccc59fe",
"task": "delete",
"question": "Modify the molecule CCOC(=O)c1ccc(N2CC[NH+](CC(C=Cc3ccc(F)cc3)N3C(=O)c4ccccc4C3=O)CC2)nc1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCOC(=O)c1ccc(N2CC[NH+](CC(C=Cc3ccc(F)cc3)N3C(=O)c4ccccc4C3=O)CC2)nc1",
"ref_smiles": "CCOC(=O)c1ccc(N2CC[NH+](CC(C=Cc3ccccc3)N3C(=O)c4ccccc4C3=O)CC2)nc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "cd70e18a-b0d0-47c4-b0f1-99b86099d9c8",
"task": "delete",
"question": "Modify the molecule CC(C)[NH2+]CC1CC[NH+](Cc2ccc(Cl)s2)CC1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)[NH2+]CC1CC[NH+](Cc2ccc(Cl)s2)CC1",
"ref_smiles": "CC(C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "11a0762b-8a8a-47ce-86c6-9d15ba735ce3",
"task": "delete",
"question": "Modify the molecule CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3)c(C)c2)CC1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3)c(C)c2)CC1",
"ref_smiles": "CC[NH+]1CCN(CNC(=O)c2cccnc2)CC1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "9f96ed16-809e-461f-a7d8-068a7d071e5c",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule Cc1ccc(C(=O)N2CCC(O)C(C)(C)C2)o1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1ccc(C(=O)N2CCC(O)C(C)(C)C2)o1.",
"ref_smiles": "Cc1ccc(C(=O)N2CCCC(C)(C)C2)o1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "2523ee74-bb3d-4068-99a4-52fc27bb6bdc",
"task": "delete",
"question": "Modify the molecule CCC1CCC[NH+](CC2(C=O)CCOCC2)CC1 by removing a aldehyde.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCC1CCC[NH+](CC2(C=O)CCOCC2)CC1",
"ref_smiles": "CCC1CCC[NH+](CC2CCOC2)CC1",
"add_group": null,
"remove_group": "aldehyde"
},
{
"id": "946b89b2-2612-4adc-92b8-e58e4f5803e4",
"task": "delete",
"question": "Modify the molecule CC(C)NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1 by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC(C)NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1",
"ref_smiles": "CC(C)NC(=O)C(=O)NCC(c1ccsc1)c1cccs1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "86d1c2af-b396-402c-96a5-688b5d942d77",
"task": "delete",
"question": "Please remove a halo from the molecule CCCCCNC(=O)CSc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3F)C(C)C2)n1.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCCNC(=O)CSc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3F)C(C)C2)n1.",
"ref_smiles": "CCCCCNC(=O)CSc1nccc(N2CCN(C(=O)c3ccccc3F)C(C)C2)n1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "8478e25d-4fb6-4949-ace0-5eff37f63e84",
"task": "delete",
"question": "Modify the molecule Cc1c(S(=O)(=O)N2CCCC(c3ccc(C(=O)[O-])cc3)C2)cnn1C by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(S(=O)(=O)N2CCCC(c3ccc(C(=O)[O-])cc3)C2)cnn1C",
"ref_smiles": "Cc1c(S(=O)(=O)N2CCCC(C(=O)[O-])C2)cnn1C",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "a6be06ab-0e15-4795-aa08-df2d9f5cc318",
"task": "delete",
"question": "Please remove a hydroxyl from the molecule O=C(CC1(O)CCCCC1)NCC(c1cccs1)[NH+]1CCOCC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(CC1(O)CCCCC1)NCC(c1cccs1)[NH+]1CCOCC1.",
"ref_smiles": "O=C(CC1CCCCC1)NCC(c1cccs1)[NH+]1CCOCC1",
"add_group": null,
"remove_group": "hydroxyl"
},
{
"id": "d8b710c4-269d-4afc-9fa7-7ed045f7c01a",
"task": "delete",
"question": "Modify the molecule CS(=O)(=O)c1cccc(C(=O)c2cncc(F)c2)c1 by removing a halo.\nPlease wrap the final SMILES in ....",
"src_smiles": "CS(=O)(=O)c1cccc(C(=O)c2cncc(F)c2)c1",
"ref_smiles": "CS(=O)(=O)c1cccc(C(=O)c2cnccc2)c1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "1a523bfa-0ab8-4b20-94d1-552f699adafc",
"task": "delete",
"question": "Please remove a amide from the molecule C=CC(=O)N1CCC(Oc2cnc3ncc(-c4n[nH]c(C)n4)c-3[nH]2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "C=CC(=O)N1CCC(Oc2cnc3ncc(-c4n[nH]c(C)n4)c-3[nH]2)CC1.",
"ref_smiles": "Cc1nc(-c2cnc3ncc(OC4CCC(C)C4)[nH]c2-3)n[nH]1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "9af87e51-c2af-4cc7-b529-b02e75804502",
"task": "delete",
"question": "Modify the molecule CC1C[NH+](Cc2ccccc2NCC(=O)NCCC2=CCCCC2)CC(C)O1 by removing a amine.\nPlease wrap the final SMILES in ....",
"src_smiles": "CC1C[NH+](Cc2ccccc2NCC(=O)NCCC2=CCCCC2)CC(C)O1",
"ref_smiles": "CC1C[NH+](Cc2ccccc2CC(=O)NCCC2=CCCCC2)CC(C)O1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7a1836e1-c60f-4ae4-bfeb-fec844830245",
"task": "delete",
"question": "Modify the molecule CCCCn1c([O-])c(C#N)c(C)c(N=Nc2cccc(Cl)c2)c1=O by removing a nitrile.\nPlease wrap the final SMILES in ....",
"src_smiles": "CCCCn1c([O-])c(C#N)c(C)c(N=Nc2cccc(Cl)c2)c1=O",
"ref_smiles": "CCCCn1c([O-])cc(C)c(N=Nc2cccc(Cl)c2)c1=O",
"add_group": null,
"remove_group": "nitrile"
},
{
"id": "dc8363b6-f170-4fed-b75b-60d698cf07db",
"task": "delete",
"question": "Please remove a amine from the molecule COc1cc(C=NNC(N)=S)ccc1OC(=O)c1cccc(Br)c1.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(C=NNC(N)=S)ccc1OC(=O)c1cccc(Br)c1.",
"ref_smiles": "COc1cc(C=NC(N)=S)ccc1OC(=O)c1cccc(Br)c1",
"add_group": null,
"remove_group": "amine"
},
{
"id": "2e8938dc-fed2-4494-8227-d78527701f6f",
"task": "delete",
"question": "Modify the molecule Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1CCC(C)(C)C by removing a amide.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1CCC(C)(C)C",
"ref_smiles": "Cc1c(CCC(C)(C)C)on-1-c1c(C)n(C)n(C2CCCCC2)c1=O",
"add_group": null,
"remove_group": "amide"
},
{
"id": "69e3adf2-343c-44c7-9c8c-be50d75cdb24",
"task": "delete",
"question": "Please remove a amine from the molecule O=C1NCC=C(NNc2cccnc2)c2c1[nH]c1ccc(F)cc21.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1NCC=C(NNc2cccnc2)c2c1[nH]c1ccc(F)cc21.",
"ref_smiles": "O=C1NCC=C(Nc2cccnc2)c2c1[nH]c1ccc(F)cc21",
"add_group": null,
"remove_group": "amine"
},
{
"id": "7d580ef7-9828-4300-9e56-452dd55230cf",
"task": "delete",
"question": "Modify the molecule COC(=O)CCC([NH2+]C(C)(C)C)C(=O)c1ccc(C)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "COC(=O)CCC([NH2+]C(C)(C)C)C(=O)c1ccc(C)cc1",
"ref_smiles": "COC(=O)CCC([NH2+]C(C)(C)C)C(C)=O",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "7ee03f3d-a3e7-4ced-af02-57e13a8ec20b",
"task": "delete",
"question": "Please remove a amine from the molecule COc1cc(NS(=O)(=O)c2ccc(=O)[nH]c2)ccc1F.\nPlease wrap the final SMILES in ....",
"src_smiles": "COc1cc(NS(=O)(=O)c2ccc(=O)[nH]c2)ccc1F.",
"ref_smiles": "COc1cc(S(=O)(=O)c2ccc(=O)[nH]c2)ccc1F",
"add_group": null,
"remove_group": "amine"
},
{
"id": "d8342922-2f25-49ec-bbba-d01cdc75be19",
"task": "delete",
"question": "Modify the molecule O=C1C(c2ccc(F)cc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1 by removing a benzene ring.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C1C(c2ccc(F)cc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1",
"ref_smiles": "O=C1C(F)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1",
"add_group": null,
"remove_group": "benzene"
},
{
"id": "5c6371db-69dd-4ab8-ab45-3dd28c639353",
"task": "delete",
"question": "Please remove a halo from the molecule O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(OC(F)(F)F)cc1.\nPlease wrap the final SMILES in ....",
"src_smiles": "O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(OC(F)(F)F)cc1.",
"ref_smiles": "O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(OC(F)F)cc1",
"add_group": null,
"remove_group": "halo"
},
{
"id": "eba8ee3a-d610-42cc-bf6a-5742990cc0d8",
"task": "delete",
"question": "Please remove a amide from the molecule Cc1noc(C)c1CC(=O)NCC1CCN(c2ncc(F)cn2)CC1.\nPlease wrap the final SMILES in ....",
"src_smiles": "Cc1noc(C)c1CC(=O)NCC1CCN(c2ncc(F)cn2)CC1.",
"ref_smiles": "Cc1noc(C)c1CC1CCN(c2ncc(F)cn2)CC1",
"add_group": null,
"remove_group": "amide"
},
{
"id": "28556dec-6925-43da-8237-3f4bb8d2ba50",
"task": "delete",
"question": "Modify the molecule OCCC1C=CCC(COCc2ccccc2)C1O by removing a hydroxyl.\nPlease wrap the final SMILES in ....",
"src_smiles": "OCCC1C=CCC(COCc2ccccc2)C1O",
"ref_smiles": "OCCC1C=CCC(COCc2ccccc2)C1",
"add_group": null,
"remove_group": "hydroxyl"
}
]