[
  {
    "id": "a9af393c-8157-43a3-a275-1281c729cc5c",
    "task": "sub",
    "question": "Modify the molecule Cc1nc(=O)c(C(C)Nc2cc(Br)ccc2F)c(C)[nH]1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(=O)c(C(C)Nc2cc(Br)ccc2F)c(C)[nH]1",
    "ref_smiles": "Cc1nc(=O)c(C(C)Nc2cc(NO2)ccc2F)c(C)[nH]1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f1993a7b-62de-4955-8412-ce33285f38ba",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CCn1c(-c2sc(NC(=O)C3(c4ccc(F)cc4)CC3)nc2C)n[nH]c1=S with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCn1c(-c2sc(NC(=O)C3(c4ccc(F)cc4)CC3)nc2C)n[nH]c1=S",
    "ref_smiles": "C=CCn1c(-c2sc(NC(=O)C3(c4ccc(O)cc4)CC3)nc2C)n[nH]c1=S",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bd284085-a319-48d3-89fa-f7324523ed75",
    "task": "sub",
    "question": "Please substitute a thiol in the molecule CC[NH2+]C1CCC(C)CC1S with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C1CCC(C)CC1S",
    "ref_smiles": "CC[NH2+]C1CCC(C)CC1NO",
    "add_group": "nitro",
    "remove_group": "thiol"
  },
  {
    "id": "2876c2e9-bd69-4eef-8fd1-2759d3350c02",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]",
    "ref_smiles": "Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C(=O)[OH])c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "1f674301-3fb9-4f52-be6e-41c5e58efc1f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=N)C(C#N)C(=O)COC(=O)c1ccc(Cl)cc1F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=N)C(C#N)C(=O)COC(=O)c1ccc(Cl)cc1F",
    "ref_smiles": "CC(=N)C(C#N)C(=O)COC(=O)c1ccc(S)cc1F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "9bc10273-0a33-4c50-9055-7bb8d5a50b2e",
    "task": "sub",
    "question": "Modify the molecule CC(C)CN(c1nc(NN)ncc1Br)C1CCCC1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CN(c1nc(NN)ncc1Br)C1CCCC1",
    "ref_smiles": "CC(C)CN(c1nc(NN)ncc1S)C1CCCC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4b6abd87-a19f-4318-ac22-d0be6757be90",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(C(F)(F)F)cc2F)n2ccccc12 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(C(F)(F)F)cc2F)n2ccccc12",
    "ref_smiles": "O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(C(F)(F)C(=O)O)cc2F)n2ccccc12",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "402b5969-1940-4a8c-9150-0c801b10c956",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCc1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCc1ccccc1",
    "ref_smiles": "O=C(Cn1c(=O)c2cccn2c2ccc(S)cc21)NCCc1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "c110888f-cae1-491f-af67-158d5ec8a6ba",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)c1cccc2cc(Cl)ccc12 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)c1cccc2cc(Cl)ccc12",
    "ref_smiles": "OC(F)c1cccc2cc(Cl)ccc12",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "e22a5f07-1b87-4dda-9f88-2e2ba7cbe525",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCNc1nc(-c2csc(C(C)(C)C)n2)nc(C)c1Br with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNc1nc(-c2csc(C(C)(C)C)n2)nc(C)c1Br",
    "ref_smiles": "CCNc1nc(-c2csc(C(C)(C)C)n2)nc(C)c1[N+](=O)[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d3c1620c-44d3-4225-b4d5-6c54f9c68df9",
    "task": "sub",
    "question": "Modify the molecule CCC#Cc1ccc(C2=NOC(CC(C)(C(O)O)S(C)(=O)=O)C2)cc1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC#Cc1ccc(C2=NOC(CC(C)(C(O)O)S(C)(=O)=O)C2)cc1",
    "ref_smiles": "CCC#Cc1ccc(C2=NOC(CC(C)(C(O)C#N)S(C)(=O)=O)C2)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "dc1977a7-845d-4ae0-9326-6f575a2e9bb4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])NCS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])NCS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1",
    "ref_smiles": "O=C([O-])NCS(=O)(=O)c1ccc(C=O)c([N+](=O)[O-])c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "348fcb7b-ead0-4ea8-8e2e-915f0464a74f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(OC)c(C=C2SC(=[NH+]c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1Br with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(OC)c(C=C2SC(=[NH+]c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1Br",
    "ref_smiles": "COc1cc(OC)c(C=C2SC(=[NH+]c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1C=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "b29c1214-27ee-4036-b984-b7e018e4b79c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1=C(OCCn2c([O-])cn(C)c2=O)C=CC(C[NH+](CC2CCC(C(=O)[O-])CC2)C(C)c2ccc(Cl)c(Cl)c2)C1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=C(OCCn2c([O-])cn(C)c2=O)C=CC(C[NH+](CC2CCC(C(=O)[O-])CC2)C(C)c2ccc(Cl)c(Cl)c2)C1",
    "ref_smiles": "CC1=C(OCCn2c([O-])cn(C)c2=O)C=CC(C[NH+](CC2CCC(C(=O)[O-])CC2)C(C)c2ccc(O)c(Cl)c2)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "31f48881-96a0-4e6b-9399-66b8c505c5ab",
    "task": "sub",
    "question": "Modify the molecule O=S(=O)(NCC(F)(F)CO)c1cc(Cl)c(Br)s1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=S(=O)(NCC(F)(F)CO)c1cc(Cl)c(Br)s1",
    "ref_smiles": "O=S(=O)(NCC(F)(F)CS)c1cc(Cl)c(Br)s1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bf6ce6e4-1ce5-47ba-aeb8-db6277f9b542",
    "task": "sub",
    "question": "Modify the molecule O=C(NCC1C[NH2+]CC1O)c1cn(Cc2ccccc2)nn1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCC1C[NH2+]CC1O)c1cn(Cc2ccccc2)nn1",
    "ref_smiles": "O=C(NCC1C[NH2+]CC1)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c680f356-e150-449e-a5c3-65dce886e4fb",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)Nc1nc(Cl)nc(NC(=O)Nc2ccc(Cl)cc2)n1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)Nc1nc(Cl)nc(NC(=O)Nc2ccc(Cl)cc2)n1",
    "ref_smiles": "CC(C)(C)Nc1nc(NC(=O)Nc2ccc(Cl)cc2)nc(C(=O)[OH])n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "26921118-9d94-4b4b-be65-a35d69c0fc5e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C1CCOc2c(NC(=O)N3CCC(O)(C4CCC4)CC3)cccc21 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CCOc2c(NC(=O)N3CCC(O)(C4CCC4)CC3)cccc21",
    "ref_smiles": "O=C1CCOc2c(NC(=O)N3CCC(C4CCC4)CC3)cc([N+](=O)[O-])cc21",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "871431d3-2a6e-49dc-a277-d1aac7f7da78",
    "task": "sub",
    "question": "Modify the molecule CC(CCc1ccccc1)(Cn1ccnc1)Sc1ccc(Cl)cc1Cl by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CCc1ccccc1)(Cn1ccnc1)Sc1ccc(Cl)cc1Cl",
    "ref_smiles": "CC(CCc1ccccc1)(Cn1ccnc1)Sc1ccc(C#N)cc1Cl",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "9120d739-9432-496f-a473-98552b0ac272",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])C1Cn2c(cc3c(Br)cc(F)cc32)C1=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])C1Cn2c(cc3c(Br)cc(F)cc32)C1=O",
    "ref_smiles": "O=C([O-])C1Cn2c(cc3c(O)cc(F)cc32)C1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "533fd0cf-d9fb-424b-9e83-e7b18b23d3e2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C2CC(=O)N(CC(=O)N(C)c3cccc(F)c3)C2)cc1OC1CCCO1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C2CC(=O)N(CC(=O)N(C)c3cccc(F)c3)C2)cc1OC1CCCO1",
    "ref_smiles": "COc1ccc(C2CC(=O)N(CC(=O)N(C)c3cccc(C=O)c3)C2)cc1OC1CCCO1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "24d6cb33-bd76-463d-b4c9-4284c6640d67",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CNc1nc(C#N)nc2c1ncn2C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNc1nc(C#N)nc2c1ncn2C",
    "ref_smiles": "CNc1nc([N+](=O)[O-])nc2c1ncn2C",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "57c15624-8fbe-4561-91bb-25d992a28913",
    "task": "sub",
    "question": "Modify the molecule CC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O",
    "ref_smiles": "CC(=O)c1ccc(F)c(C2(C)NC(=O)N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "4481437c-5afa-4464-b72e-0d36074d18a3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1)C(C)C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1)C(C)C",
    "ref_smiles": "Cc1cc(C(=O)NCc2ccc(S)cc2)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1)C(C)C",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "9286835d-3133-4ce2-87b2-e9b2f30b9c31",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)=O",
    "ref_smiles": "CCCCN(CC(=O)Nc1cccc(C(=O)O)c1Cl)C(C)=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "129d75d2-7315-4c78-9e29-cbaed774333d",
    "task": "sub",
    "question": "Modify the molecule COc1cc(F)ccc1C[NH+]1C2CCC1C1C[NH2+]CC12 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(F)ccc1C[NH+]1C2CCC1C1C[NH2+]CC12",
    "ref_smiles": "COc1cc([N+](=O)[O-])ccc1C[NH+]1C2CCC1C1C[NH2+]CC12",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "31f72b41-2d15-4024-94c6-ca583bc08816",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CS(=O)(=O)N(c1cccc(C(=O)Nc2ncccn2)c1)C1C[NH+](C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)N(c1cccc(C(=O)Nc2ncccn2)c1)C1C[NH+](C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1",
    "ref_smiles": "CS(=O)(=O)N(c1cccc(C(=O)Nc2ncccn2)c1)C1C[NH+](C(c2ccc(Cl)cc2)c2ccc(NO)cc2)C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "357ab758-b8cf-4236-ab2b-acf11511b1a3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(CCCNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(CCCNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1",
    "ref_smiles": "COc1ccc(CCCNC(=O)c2cc3ccc(O)cc3nc2Cl)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "871b0d0b-4a23-48a7-9828-2e1dcd96684e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)(CO)CC=Cc1cc(O)cc(-c2ccccc2-c2cc(O)cc(C=CCC(C)(C)CO)c2O)c1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(CO)CC=Cc1cc(O)cc(-c2ccccc2-c2cc(O)cc(C=CCC(C)(C)CO)c2O)c1O",
    "ref_smiles": "CC(=O)CC(C)(C)CC=Cc1cc(O)cc(-c2ccccc2-c2cc(O)cc(C=CCC(C)(C)CO)c2O)c1O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1dd4b3ce-48c5-47c5-a4e2-df4d1c1b5ac2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(Br)cc(NS(=O)(=O)c2cc(CO)ccc2Br)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Br)cc(NS(=O)(=O)c2cc(CO)ccc2Br)c1",
    "ref_smiles": "Cc1cc(NS(=O)(=O)c2cc(CO)ccc2Br)cc(C(=O)O)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "d75a6662-349b-47e6-9d66-a5de6ce71b44",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1",
    "ref_smiles": "CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2cccc(I)c2)c1",
    "add_group": "halo",
    "remove_group": "nitro"
  },
  {
    "id": "3adfaabd-b64d-4bb2-b07b-457ba6334e01",
    "task": "sub",
    "question": "Modify the molecule C=C(Nc1c(C=N)nc(Nc2ccc(F)cc2F)n1C1CCC(O)CC1)[NH2+]C(C)(C)C by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(Nc1c(C=N)nc(Nc2ccc(F)cc2F)n1C1CCC(O)CC1)[NH2+]C(C)(C)C",
    "ref_smiles": "CC(=O)c1ccc(Nc2nc(C=N)c(NC(=C)[NH2+]C(C)(C)C)n2C2CCC(O)CC2)c(F)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c260ddd8-300d-4210-b0fe-3efbddc78175",
    "task": "sub",
    "question": "Modify the molecule Cc1nc2ccc(Oc3ccc4c(CO)c(C(=O)NCC(=O)[O-])ncc4c3)cc2o1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc2ccc(Oc3ccc4c(CO)c(C(=O)NCC(=O)[O-])ncc4c3)cc2o1",
    "ref_smiles": "Cc1nc2ccc(Oc3ccc4c(CC(=O)[OH])c(C(=O)NCC(=O)[O-])ncc4c3)cc2o1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c19de274-0c0e-46b7-af8a-43ae06674f36",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)C(NC(=O)NCc1ccc(Br)cc1)C(=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C(NC(=O)NCc1ccc(Br)cc1)C(=O)[O-]",
    "ref_smiles": "CC(C)C(NC(=O)NCc1ccc(C(=O)[OH])cc1)C(=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "5709a76c-b97d-4e0f-82fc-9f53429fbe3b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CCOc1ccc(-c2nnc(N(CCCC)C(=O)c3ccccc3Cl)s2)cc1C(F)(F)F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCOc1ccc(-c2nnc(N(CCCC)C(=O)c3ccccc3Cl)s2)cc1C(F)(F)F",
    "ref_smiles": "C=CCOc1ccc(-c2nnc(N(CCCC)C(=O)c3ccccc3C(=O)[OH])s2)cc1C(F)(F)F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7a03e687-db24-4d64-9546-90915b7ebee4",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O[P+](O)(O)CCc1nc2ccccc2[nH]1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O[P+](O)(O)CCc1nc2ccccc2[nH]1",
    "ref_smiles": "O[P+](O)(F)CCc1nc2ccccc2[nH]1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "838ec77d-e862-48e0-95c3-944242721f46",
    "task": "sub",
    "question": "Please substitute a halo in the molecule OCc1c(F)cncc1-c1ccc(C(F)(F)F)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCc1c(F)cncc1-c1ccc(C(F)(F)F)cc1",
    "ref_smiles": "O=Cc1ccncc(-c2ccc(C(F)(F)F)cc2)c1O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "42458139-45e9-4e8b-a1a3-901a46eb8404",
    "task": "sub",
    "question": "Modify the molecule C[NH+]=C(NCc1cccc(C(N)=O)c1)NC1CCN(c2ncccc2Cl)C1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]=C(NCc1cccc(C(N)=O)c1)NC1CCN(c2ncccc2Cl)C1",
    "ref_smiles": "C[NH+]=C(NCc1cccc(C(N)=O)c1)NC1CCN(c2ncccc2O)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "a23e285f-1d99-4a43-9170-99a7126d0f1e",
    "task": "sub",
    "question": "Modify the molecule Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1C(F)(F)F by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1C(F)(F)F",
    "ref_smiles": "N#CC(F)(F)S(=O)(=O)Oc1ccc(N)c(C(F)(F)F)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "50f58328-5a4f-4bb1-931b-c0fc6dc36880",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)c1cc(SC(=O)CCC(=O)N(c2ccccc2)c2ccc(Nc3ccc(N(C(=O)CCC(O)Sc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c4ccccc4)cc3)cc2)cc(C(C)(C)C)c1O by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1cc(SC(=O)CCC(=O)N(c2ccccc2)c2ccc(Nc3ccc(N(C(=O)CCC(O)Sc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c4ccccc4)cc3)cc2)cc(C(C)(C)C)c1O",
    "ref_smiles": "CC(C)(C)c1cc(SC(=O)CCC(=O)N(c2ccccc2)c2ccc(Nc3ccc(N(C(=O)CCC(NO)Sc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c4ccccc4)cc3)cc2)cc(C(C)(C)C)c1O",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "67fd5856-536e-430b-9f32-e07d46565b87",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCCCCC(=O)NC1C(OC2C(CO)OC(O)C([NH3+])C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2[NH3+])C1O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCC(=O)NC1C(OC2C(CO)OC(O)C([NH3+])C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2[NH3+])C1O",
    "ref_smiles": "CCCCCCCCCC(=O)NC1C(OC2C(CS)OC(O)C([NH3+])C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2[NH3+])C1O",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "647b420b-be2c-4592-a736-ebea756ff97a",
    "task": "sub",
    "question": "Modify the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3C)CC2)cccc1C(N)=O by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3C)CC2)cccc1C(N)=O",
    "ref_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C(=O)Nc4cccc(O)c4)c3C)CC2)cccc1C(N)=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bd8376f3-15be-43c9-9967-a60101a5a563",
    "task": "sub",
    "question": "Modify the molecule O=C(Cc1c(F)cccc1F)Nc1ccc(Br)c(Cl)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cc1c(F)cccc1F)Nc1ccc(Br)c(Cl)c1",
    "ref_smiles": "N#Cc1cccc(F)c1CC(=O)Nc1ccc(Br)c(Cl)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3b7a6d07-aa99-4e3d-933a-6ee556fafb4b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(C2C(=C([O-])c3ccncc3)C(=O)C(=O)N2Cc2ccc(F)cc2)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C2C(=C([O-])c3ccncc3)C(=O)C(=O)N2Cc2ccc(F)cc2)c1",
    "ref_smiles": "Cc1cccc(C2C(=C([O-])c3ccncc3)C(=O)C(=O)N2Cc2ccc(C(=O)[OH])cc2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e5066c30-f312-43cd-b0b8-4be9b6ce358a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+](C)CCOc1ccc(NC(=O)CC([NH3+])c2ccccc2)cc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCOc1ccc(NC(=O)CC([NH3+])c2ccccc2)cc1Cl",
    "ref_smiles": "C[NH+](C)CCOc1ccc(NC(=O)CC([NH3+])c2ccccc2)cc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "cf8d8539-7ffd-4559-807e-4cee23d52971",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)Cc1[nH]n(-c2ccc(F)cc2Cl)c(=O)c1C(CCl)=NCc1ccccc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cc1[nH]n(-c2ccc(F)cc2Cl)c(=O)c1C(CCl)=NCc1ccccc1",
    "ref_smiles": "COC(=O)Cc1[nH]n(-c2ccc(O)cc2Cl)c(=O)c1C(CCl)=NCc1ccccc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "8d3c25d5-e07f-4f89-8a27-4238621f3110",
    "task": "sub",
    "question": "Modify the molecule Clc1ccccc1C1=NCCNc2ccccc21 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1ccccc1C1=NCCNc2ccccc21",
    "ref_smiles": "Oc1ccccc1C1=NCCNc2ccccc21",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c899da08-8a59-4242-9cbc-6a4a3bb68472",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCC(NC(=O)C1CCC1)c1cccc(C(F)(F)F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC(NC(=O)C1CCC1)c1cccc(C(F)(F)F)c1",
    "ref_smiles": "COCC(NC(=O)C1CCC1)c1cccc(C(F)(F)C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "afa7bf72-efbf-46bf-b723-95aa82d0e534",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(C(=O)CCOCC(F)F)c1ccc(C[NH3+])cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C(=O)CCOCC(F)F)c1ccc(C[NH3+])cc1",
    "ref_smiles": "CN(C(=O)CCOCC=O)c1ccc(C[NH3+])cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "023f2fac-4703-4e73-bb67-b5381974bacf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC[NH2+]C(CCC)Cc1c(Br)c(CC)nn1C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH2+]C(CCC)Cc1c(Br)c(CC)nn1C",
    "ref_smiles": "CCC[NH2+]C(CCC)Cc1c(C(=O)[OH])c(CC)nn1C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "017bdeef-f7c3-4c72-a469-bbe6ecfb9083",
    "task": "sub",
    "question": "Modify the molecule Cc1cccnc1N1C2CCC1CC(Br)C2 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccnc1N1C2CCC1CC(Br)C2",
    "ref_smiles": "Cc1cccnc1N1C2CCC1CC(S)C2",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "5bf7e5a5-ac2e-4de3-933d-c471582fd8bc",
    "task": "sub",
    "question": "Modify the molecule CC(C)C(O)CCNC(=O)c1cccc2cc[nH]c12 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C(O)CCNC(=O)c1cccc2cc[nH]c12",
    "ref_smiles": "CC(C)C(CCNC(=O)c1cccc2cc[nH]c12)C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c98e75ef-8a4a-4733-a7fd-92f6d789d7c8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)ncc1C(=O)Nc1ccc(F)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)ncc1C(=O)Nc1ccc(F)cc1",
    "ref_smiles": "C(=O)c1nc(C2CCN(C(=O)c3ccccn3)CC2)ncc1C(=O)Nc1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "31fbb04e-7d24-423f-be2a-258d818203f8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C2CS(=O)CCC(C)N2)cc1F with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C2CS(=O)CCC(C)N2)cc1F",
    "ref_smiles": "Cc1ccc(C2CS(=O)CCC(C)N2)cc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "80350724-d71e-4ae4-a79e-1ffdb81a3e6d",
    "task": "sub",
    "question": "Modify the molecule CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccco2)c2cn[nH]c2N1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccco2)c2cn[nH]c2N1",
    "ref_smiles": "CC1=C(C(=O)Nc2ccc(S)cc2)C(c2ccco2)c2cn[nH]c2N1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "1bebf9fe-f657-4b87-87ae-90fce36ea6ce",
    "task": "sub",
    "question": "Modify the molecule Cc1c(C#N)cccc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cccc(C#N)c2C)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(C#N)cccc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cccc(C#N)c2C)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21",
    "ref_smiles": "Cc1c([N+](=O)[O-])cccc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cccc([N+](=O)[O-])c2C)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "d03d2051-fb2f-44c6-973c-9c3ad714c9a8",
    "task": "sub",
    "question": "Modify the molecule C[NH2+]Cc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)o1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]Cc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)o1",
    "ref_smiles": "C[NH2+]Cc1ccc(S(=O)(=O)Nc2ncc(NO)cc2C)o1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "3808fbad-fa24-4986-bb40-72a55d6b64ac",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)c1cc(NC(=O)N2CCC(C(=O)[O-])C2)c(F)cc1C by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1cc(NC(=O)N2CCC(C(=O)[O-])C2)c(F)cc1C",
    "ref_smiles": "CCOC(=O)c1cc(NC(=O)N2CCC(C(=O)[O-])C2)c(S)cc1C",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "3a0bd848-135d-4b31-8e78-596f3726b1f6",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Nc1ccc(NCC(O)CO)cc1-c1ccco1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1ccc(NCC(O)CO)cc1-c1ccco1",
    "ref_smiles": "Nc1ccc(NCC(CO)C(=O)O)cc1-c1ccco1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "63483d33-5dbe-4765-acda-004a2808f7a9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)SI with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)SI",
    "ref_smiles": "CC(=O)SNO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "cabf3842-a815-43a3-a431-5bd817ef69b1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C[NH+]1CCCCC1)n1c(CCl)nc2cc(Cl)cnc21 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C[NH+]1CCCCC1)n1c(CCl)nc2cc(Cl)cnc21",
    "ref_smiles": "CC(C[NH+]1CCCCC1)n1c(CC(=O)[OH])nc2cc(Cl)cnc21",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3b67b02e-b9f6-456f-b0e6-28c9507fefbb",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule COc1ccc(-n2c(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])nc3ccccc32)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(-n2c(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])nc3ccccc32)cc1",
    "ref_smiles": "COc1ccc(-n2c(SCc3ccc(C(N)=O)cc3[SH]=O)nc3ccccc32)cc1",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "ae3483a1-9b69-4154-bf8b-7ef1a3da9af8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(F)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(F)c1",
    "ref_smiles": "[NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(S)c(F)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "ccd74b09-cfec-4b55-ba5d-56089286ca70",
    "task": "sub",
    "question": "Modify the molecule Oc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Oc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O",
    "ref_smiles": "Oc1c([N+](=O)[O-])ccc(-c2nc(-c3ccccc3)no2)c1O",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "eee2c188-8bca-49fe-b164-9387f36cca40",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)cc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)cc1Cl",
    "ref_smiles": "Cc1ccc(NCc2ccc(-c3ccc(O)cc3)o2)cc1Cl",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4ff76431-ebb6-4129-b690-62754a28e96e",
    "task": "sub",
    "question": "Modify the molecule CC(C)n1cc(C2CN(S(=O)(=O)c3ccc4c(c3)COC4)CC2CO)cn1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)n1cc(C2CN(S(=O)(=O)c3ccc4c(c3)COC4)CC2CO)cn1",
    "ref_smiles": "CC(C)n1cc(C2CN(S(=O)(=O)c3ccc4c(c3)COC4)CC2C(=O))cn1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d87e3577-863b-4a09-beef-39906f360c97",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCOc1ccc(C[NH+]=C(NCC)NCC2CC[NH+](C3CC3)C2)c(OC(F)F)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1ccc(C[NH+]=C(NCC)NCC2CC[NH+](C3CC3)C2)c(OC(F)F)c1",
    "ref_smiles": "CC(=O)C(F)Oc1cc(OCCC)ccc1C[NH+]=C(NCC)NCC1CC[NH+](C2CC2)C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "03fe8b85-f343-444a-83e8-be31fb90e117",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COCC(C)Nc1cccc(C(=O)NCCO)c1C with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC(C)Nc1cccc(C(=O)NCCO)c1C",
    "ref_smiles": "COCC(C)Nc1cccc(C(=O)NCCC#N)c1C",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "353e0884-4705-4a1a-a976-4eefe7b4bbb8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)NCCC[NH2+]C(C(=O)[O-])c1ccc(F)c(F)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)NCCC[NH2+]C(C(=O)[O-])c1ccc(F)c(F)c1",
    "ref_smiles": "CC(=O)NCCC[NH2+]C(C(=O)[O-])c1ccc(C(=O)O)c(F)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "ea87d1ce-54fb-4b3a-9bf8-cfd305910650",
    "task": "sub",
    "question": "Modify the molecule CC[NH+](C)CCNc1nn(C)cc1[N+](=O)[O-] by substituting a nitro with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](C)CCNc1nn(C)cc1[N+](=O)[O-]",
    "ref_smiles": "CC[NH+](C)CCNc1nn(C)cc1[SH]=O",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "c1d74f81-1e91-4f61-92c5-d0b40ab29610",
    "task": "sub",
    "question": "Modify the molecule NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O",
    "ref_smiles": "NC(=O)c1C(=O)cc(-c2ccccc2)[nH]c1=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8b2edf28-1b5d-4bc0-b4e0-17f288182e85",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)COc1ccc(Br)cc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)COc1ccc(Br)cc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O",
    "ref_smiles": "CC(C)(C)COc1ccc(NO)cc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d57517eb-f3f2-4189-a780-dbb76a1a2601",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]CCc1[nH]c2nc3c(C)cc(C)cc3n2c1Br with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]CCc1[nH]c2nc3c(C)cc(C)cc3n2c1Br",
    "ref_smiles": "C[NH2+]CCc1[nH]c2nc3c(C)cc(C)cc3n2c1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "94605f7c-6cf2-4451-bb88-ce111cc91aef",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH2+]C(Cc1cccc(F)c1)c1ccccc1OC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(Cc1cccc(F)c1)c1ccccc1OC",
    "ref_smiles": "CC[NH2+]C(Cc1cccc(C#N)c1)c1ccccc1OC",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "d102d0ca-6193-4d47-951f-0eb0867d73bd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C=Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2=O)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2=O)cc1",
    "ref_smiles": "O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2=O)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "00f98d8c-813f-45b1-af47-76caee10f1e0",
    "task": "sub",
    "question": "Modify the molecule C[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]Cc1cc(F)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1",
    "ref_smiles": "C[NH2+]Cc1cc(C(=O)[OH])c(C)c(S(=O)(=O)N2CCC(C)CC2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "829b1602-c46d-4e3d-a546-745f728051c3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1c(-c2ccncc2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c([O-])c1=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1c(-c2ccncc2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c([O-])c1=O",
    "ref_smiles": "Cn1c(-c2ccncc2)nc(C(=O)NCc2ccc(O)c(Cl)c2)c([O-])c1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "d2d5277b-14d4-43e6-a2b5-28263e66c775",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1c2cc(Cl)ccc2-c2ccc(N=Cc3ccc(Cl)cc3Cl)cc21 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1c2cc(Cl)ccc2-c2ccc(N=Cc3ccc(Cl)cc3Cl)cc21",
    "ref_smiles": "O=C1c2cc(NO2)ccc2-c2ccc(N=Cc3ccccc3)cc21",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "fc419e80-4226-4177-a896-0bf05518630e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNc1nc(N(C)Cc2ccccc2OC)c(Cl)cc1Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNc1nc(N(C)Cc2ccccc2OC)c(Cl)cc1Cl",
    "ref_smiles": "CNc1nc(N(C)Cc2ccccc2OC)c(C#N)cc1Cl",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fc0f12c4-06f8-4758-af91-b02efd440553",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCOc1ccc(-c2c(C)c(-c3ccc(C)cc3)nc(N)c2C#N)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(-c2c(C)c(-c3ccc(C)cc3)nc(N)c2C#N)cc1",
    "ref_smiles": "CC(=O)c1c(N)nc(-c2ccc(C)cc2)c(C)c1-c1ccc(OCC)cc1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "c0df3940-0f80-48ad-ba9b-4d43f596dbda",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCC1(C)C(O)CCC1CCc1ccc(O)cc1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC1(C)C(O)CCC1CCc1ccc(O)cc1F",
    "ref_smiles": "CCCC1(C)C(CCC1CCc1ccc(O)cc1F)CC(=O)",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2d9b9a82-8fd8-4639-9c60-05973ae2e3bc",
    "task": "sub",
    "question": "Modify the molecule CCOc1cc(C2C(c3cccs3)=C(O)C(=O)N2c2ccccc2OC)ccc1O by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1cc(C2C(c3cccs3)=C(O)C(=O)N2c2ccccc2OC)ccc1O",
    "ref_smiles": "CCOc1cc(C2C(c3cccs3)=C(C#N)C(=O)N2c2ccccc2OC)ccc1O",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e819cf55-e87f-4daa-8203-e8dba1a87bc3",
    "task": "sub",
    "question": "Modify the molecule C=[N+](CCCCCCCCCCCCCCCCCC)CC(=O)OC(CCCCC)C(O)CC=CCC(=O)OC(COC(=O)CC=CCC(O)C(CCCCC)OC(C)=O)COC(=O)CC=CCC(O)C(CCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=[N+](CCCCCCCCCCCCCCCCCC)CC(=O)OC(CCCCC)C(O)CC=CCC(=O)OC(COC(=O)CC=CCC(O)C(CCCCC)OC(C)=O)COC(=O)CC=CCC(O)C(CCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC",
    "ref_smiles": "C=[N+](CCCCCCCCCCCCCCCCCC)CC(=O)OC(CCCCC)C(S)CC=CCC(=O)OC(COC(=O)CC=CCC(O)C(CCCCC)OC(C)=O)COC(=O)CC=CCC(O)C(CCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a241c464-f333-4ad5-b0b4-a6400df21cd6",
    "task": "sub",
    "question": "Modify the molecule C[NH+](CCSc1ccc(F)cc1)C1CCC(c2ccc3[nH]c(=O)oc3c2)CC1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](CCSc1ccc(F)cc1)C1CCC(c2ccc3[nH]c(=O)oc3c2)CC1",
    "ref_smiles": "C[NH+](CCSc1ccc(O)cc1)C1CCC(c2ccc3[nH]c(=O)oc3c2)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "e5bd5959-824b-4bbd-b5ec-492f631a165b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]C(Cc1ccncc1Cl)c1ccc(I)c(Cl)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C(Cc1ccncc1Cl)c1ccc(I)c(Cl)c1",
    "ref_smiles": "[NH3+]C(Cc1ccncc1C(=O)O)c1ccc(I)c(Cl)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c758742c-db49-4a7e-866a-c838d43aa206",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)C1CCCN1c1ccc(I)cc1N with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)C1CCCN1c1ccc(I)cc1N",
    "ref_smiles": "NC(=O)C1CCCN1c1ccc(NO)cc1N",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c66e21bf-4766-4108-a163-576455f44bb5",
    "task": "sub",
    "question": "Modify the molecule O=C(C(C(F)(F)F)C(F)(F)F)N1CCC(Cl)C1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C(C(F)(F)F)C(F)(F)F)N1CCC(Cl)C1",
    "ref_smiles": "O=C(C(C(O)(F)F)C(F)(F)F)N1CCC(Cl)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "193b2904-6865-4573-8f2e-d011eaabc978",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1ccc(-c2nc(CC(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cs2)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(-c2nc(CC(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cs2)cc1",
    "ref_smiles": "CCc1ccc(-c2nc(CC(=O)Nc3cc(N4CCCC4=O)ccc3O)cs2)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "04a1512a-3b0f-46ff-9ffc-d4fe53f5295e",
    "task": "sub",
    "question": "Modify the molecule COc1cc(O)c(C(CC[NH+]2CCCC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(O)c(C(CC[NH+]2CCCC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1",
    "ref_smiles": "COc1cc(NO)c(C(CC[NH+]2CCCC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3d5087e0-8e23-4b09-80ab-19bf21300561",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cnn(C)c1C(Cc1ccc(Cl)cc1Cl)NN with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cnn(C)c1C(Cc1ccc(Cl)cc1Cl)NN",
    "ref_smiles": "COc1cnn(C)c1C(Cc1ccc(C(=O)O)cc1Cl)NN",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "78a37b40-9386-4c64-b76e-77261ff76e30",
    "task": "sub",
    "question": "Modify the molecule O=C1CN(c2ccccc2F)C([NH2+]CCN2CCCCC2)=C1c1nc(=O)c2ccc(Br)cc2[nH]1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CN(c2ccccc2F)C([NH2+]CCN2CCCCC2)=C1c1nc(=O)c2ccc(Br)cc2[nH]1",
    "ref_smiles": "ONc1ccccc1N1CC(=O)C(c2nc(=O)c3ccc(Br)cc3[nH]2)=C1[NH2+]CCN1CCCCC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "069e9da0-ee52-4d42-a503-9888efba2fcc",
    "task": "sub",
    "question": "Modify the molecule COc1ncc(-c2cncc(Nc3ccc(C#N)cc3)c2)c(OC)n1 by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ncc(-c2cncc(Nc3ccc(C#N)cc3)c2)c(OC)n1",
    "ref_smiles": "COc1ncc(-c2cncc(Nc3ccc(S)cc3)c2)c(OC)n1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "6d0111ab-516c-4655-9852-09d180d4843e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)COC(=O)NC(C)(C)CCO with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)COC(=O)NC(C)(C)CCO",
    "ref_smiles": "CC(=O)CCC(C)(C)NC(=O)OCC(C)C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ebefcf1d-19c6-4547-bb9e-5cb802c0aa20",
    "task": "sub",
    "question": "Modify the molecule [C-]#[N+]c1c(F)ccc(C2C[NH+]3CCN(C(=O)Cc4ccc(-n5cnnn5)nn4)CC3CO2)c1C by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[C-]#[N+]c1c(F)ccc(C2C[NH+]3CCN(C(=O)Cc4ccc(-n5cnnn5)nn4)CC3CO2)c1C",
    "ref_smiles": "[C-]#[N+]c1c(O)ccc(C2C[NH+]3CCN(C(=O)Cc4ccc(-n5cnnn5)nn4)CC3CO2)c1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "8cf84d2a-f428-4ae4-8e45-13ebbf153cd2",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule COC(=O)c1cc([O-])c(C(F)(F)F)c(C#N)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1cc([O-])c(C(F)(F)F)c(C#N)c1",
    "ref_smiles": "COC(=O)c1cc([O-])c(C(F)(F)F)c(O)c1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "36708de8-96f0-4542-95d0-241a328383d7",
    "task": "sub",
    "question": "Modify the molecule C[NH+](C)CCN(CC(=O)[O-])C(=O)c1sccc1Cl by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCN(CC(=O)[O-])C(=O)c1sccc1Cl",
    "ref_smiles": "C[NH+](C)CCN(CC(=O)[O-])C(=O)c1sccc1C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "8c94cb15-efc8-47b9-87b2-4169658d211f",
    "task": "sub",
    "question": "Modify the molecule COc1cc(-c2nc(Br)cc(Br)n2)sn1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(-c2nc(Br)cc(Br)n2)sn1",
    "ref_smiles": "COc1cc(-c2nc(Br)cc(NO2)n2)sn1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "0e01de2a-afae-42d1-b20c-062d12a77c9d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCN(C(=O)c1ccc(F)cc1C)C(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(C(=O)c1ccc(F)cc1C)C(C)C",
    "ref_smiles": "CCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e89ceefa-0ad5-4dda-a27b-be4a94290e91",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(Cl)c(S(=O)(=O)N2CCCCC2C(=O)[O-])c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(Cl)c(S(=O)(=O)N2CCCCC2C(=O)[O-])c1",
    "ref_smiles": "COc1ccc(C(=O)O)c(S(=O)(=O)N2CCCCC2C(=O)[O-])c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7181c738-5d77-411e-8bcd-a943e1395143",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule NS(=O)(=O)Oc1ccc2c(c1)cc(O)c1ccccc12 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NS(=O)(=O)Oc1ccc2c(c1)cc(O)c1ccccc12",
    "ref_smiles": "N#Cc1cc2cc(OS(N)(=O)=O)ccc2c2ccccc12",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "24eb5843-ac3f-439c-bafb-9c117ed70861",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=O)C(NP(=O)(OCC1OC(n2ccc(N)nc2=O)C(C)(F)C1O)Pc1ccccc1)C(C)C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)C(NP(=O)(OCC1OC(n2ccc(N)nc2=O)C(C)(F)C1O)Pc1ccccc1)C(C)C",
    "ref_smiles": "CC(=O)C(NP(=O)(OCC1OC(n2ccc(N)nc2=O)C(C)(F)C1C(=O)O)Pc1ccccc1)C(C)C",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9639e545-0c39-4e3b-8326-2b2e6c3eb0d2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C#CCN(C)C(=O)c1csc(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCN(C)C(=O)c1csc(Cl)c1",
    "ref_smiles": "CC(=O)c1cc(C(=O)N(C)CC#C)cs1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a6c5a5b3-95b7-468a-9605-15947d80dd74",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)N1C=C2N(C(=O)C(C)([NH3+])CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N1C=C2N(C(=O)C(C)([NH3+])CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O",
    "ref_smiles": "CC(C)N1C=C2N(C(=O)C(C)([NH3+])CN2S(=O)(=O)c2ccc(C#N)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "cad85761-52a8-4122-a54e-816f0dfe2590",
    "task": "sub",
    "question": "Modify the molecule CCC(O)CC[NH2+]Cc1ccc(OC(C)C#N)cc1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(O)CC[NH2+]Cc1ccc(OC(C)C#N)cc1",
    "ref_smiles": "CCC(C#N)CC[NH2+]Cc1ccc(OC(C)C#N)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "117123b8-ee6f-4ae5-a8f1-74ee21bddf56",
    "task": "sub",
    "question": "Modify the molecule CCS(=O)(=O)CCNC(NCCc1nc(C(F)(F)F)cs1)=[NH+]C by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCS(=O)(=O)CCNC(NCCc1nc(C(F)(F)F)cs1)=[NH+]C",
    "ref_smiles": "CCS(=O)(=O)CCNC(NCCc1nc(C(F)(F)C#N)cs1)=[NH+]C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "66cb048b-759b-417b-8cdc-45283566d194",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)C1(c2nnc3ccc(C(F)(F)F)cn23)CC[NH2+]C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C1(c2nnc3ccc(C(F)(F)F)cn23)CC[NH2+]C1",
    "ref_smiles": "CC(C)C1(c2nnc3ccc(C(F)(F)NO)cn23)CC[NH2+]C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "0113ab93-9d33-417b-b3c8-5a380c410002",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C(C)Nc2c(F)cc(F)cc2Cl)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(C)Nc2c(F)cc(F)cc2Cl)cc1",
    "ref_smiles": "COc1ccc(C(C)Nc2c(O)cc(F)cc2Cl)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "5f2917ef-9ee2-4af0-a48d-46c743a3409d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1Cl",
    "ref_smiles": "CCOc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(O)c1OCc1ccc(F)cc1Cl",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1fecee8d-c619-48f6-be62-95e807f18cfd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1cccc(Br)c1)c1ccncn1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cccc(Br)c1)c1ccncn1",
    "ref_smiles": "O=C([OH])c1cccc(NC(=O)c2ccncn2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "4334f423-b3bc-45e3-8167-ca0b32e5313c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(=O)Nc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4C)c3C)CC2)ccc1F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)Nc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4C)c3C)CC2)ccc1F",
    "ref_smiles": "CCC(=O)Nc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4C)c3C)CC2)ccc1F",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "64b28a72-8d05-4bc4-8512-211d55b5b163",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC([NH3+])(CS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH3+])(CS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-]",
    "ref_smiles": "CC([NH3+])(CS(=O)(=O)c1ccc(S)s1)C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "44fb59d0-1035-4864-8937-ef60951468ee",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(NC(=O)c2cscc2C)cc1Br by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)c2cscc2C)cc1Br",
    "ref_smiles": "Cc1ccc(NC(=O)c2cscc2C)cc1NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "b75b26cc-e177-494b-a1e7-f0b5bb8ca75b",
    "task": "sub",
    "question": "Modify the molecule CC(C)Cc1ccc(CCc2cc(C(=O)c3ccccc3Cl)c(NC(=O)C[NH3+])s2)cc1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)Cc1ccc(CCc2cc(C(=O)c3ccccc3Cl)c(NC(=O)C[NH3+])s2)cc1",
    "ref_smiles": "CC(C)Cc1ccc(CCc2cc(C(=O)c3ccccc3S)c(NC(=O)C[NH3+])s2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "5e6fc41b-77dc-4dd3-a9b4-6f77e4ced991",
    "task": "sub",
    "question": "Modify the molecule COC1OC(COC(=O)c2ccccc2)C(O)(C(=S)SC)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC1OC(COC(=O)c2ccccc2)C(O)(C(=S)SC)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1",
    "ref_smiles": "COC1OC(COC(=O)c2ccccc2)C(Cl)(C(=S)SC)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "238e0326-6e3b-414c-ae52-af0b15cffe99",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Fc1ccc([S-])c(C(F)(F)F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc([S-])c(C(F)(F)F)c1",
    "ref_smiles": "N#Cc1ccc([S-])c(C(F)(F)F)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2ca2c1a8-7262-4f88-a075-493d5dd0a2f3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1c(Cl)noc1-c1cnoc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1c(Cl)noc1-c1cnoc1",
    "ref_smiles": "CC(=O)c1noc(-c2cnoc2)c1N",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a0f403e0-368a-4a2b-8f71-8ad7fbaa7b1c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCO[P+]([O-])(OCC)C(F)(F)C1CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCO[P+]([O-])(OCC)C(F)(F)C1CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C",
    "ref_smiles": "CCO[P+]([O-])(OCC)C(F)(C(=O)[OH])C1CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "96e82644-a6b6-4ea0-a590-712c65959011",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1(C)CSCC(O)(c2cncnc2)C1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CSCC(O)(c2cncnc2)C1",
    "ref_smiles": "CC1(C)CSCC(I)(c2cncnc2)C1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5ce36724-797b-4fb9-9279-03b27d589238",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(C)(C)c1cc(C=Nc2sc3c(c2C#N)CCCC3)cc(C(C)(C)C)c1O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1cc(C=Nc2sc3c(c2C#N)CCCC3)cc(C(C)(C)C)c1O",
    "ref_smiles": "CC(C)(C)c1cc(C=Nc2sc3c(c2NO)CCCC3)cc(C(C)(C)C)c1O",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "ee0fbbe6-b595-4496-9180-acc2d5973633",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1sc2nc(COc3ccc(Cl)cc3Cl)nc(N)c2c1C with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1sc2nc(COc3ccc(Cl)cc3Cl)nc(N)c2c1C",
    "ref_smiles": "Cc1sc2nc(COc3ccc(O)cc3Cl)nc(N)c2c1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0e4861b0-136e-4dac-8d06-bb9b9739b7b9",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1",
    "ref_smiles": "CC(C#N)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "929e8624-9ace-4101-9941-95665646e73c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(CCCl)[NH2+]Cc1ccc(F)cc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CCCl)[NH2+]Cc1ccc(F)cc1Cl",
    "ref_smiles": "CCC(CC[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d9880917-b017-42de-913b-5fcc0184f553",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1ccc(S(=O)(=O)N2CCC(N3CCc4ccccc43)CC2)cc1F with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc(S(=O)(=O)N2CCC(N3CCc4ccccc43)CC2)cc1F",
    "ref_smiles": "O=S(=O)(c1ccc(O)c(F)c1)N1CCC(N2CCc3ccccc32)CC1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "36c15a6e-e447-4c12-8c8a-faf0f0dc0bf7",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(CNC(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(CNC(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1",
    "ref_smiles": "CC(=O)c1cccc(-c2nc(C(=O)OCC(=O)NCc3ccc(C)cc3)cs2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "5af65bc3-dc39-40b1-8261-bb7969479a8f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC=COc1ccc(C2CCCCC2)c(F)c1F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC=COc1ccc(C2CCCCC2)c(F)c1F",
    "ref_smiles": "CC=COc1ccc(C2CCCCC2)c([N+](=O)[O-])c1F",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "b3fa0a0d-9064-4466-b5c3-baa3302fd0d6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C2(NC(=O)Nc3ccccc3F)CCCC2)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C2(NC(=O)Nc3ccccc3F)CCCC2)cc1",
    "ref_smiles": "COc1ccc(C2(NC(=O)Nc3ccccc3S)CCCC2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e55381fa-d62e-4350-9270-90e37f3ae63c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CCN=C(CCl)C(CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCN=C(CCl)C(CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1",
    "ref_smiles": "C=CCN=C(CO)C(CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "893aba2f-33e2-4203-8e5d-33c691df843e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(CCSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(C(=O)[O-])ccc1Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(C(=O)[O-])ccc1Cl",
    "ref_smiles": "N#Cc1ccc(C(=O)[O-])cc1NC(=O)CCSc1nc2ccccc2c(=O)n1-c1ccccc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "74eb0e32-18c1-4637-95d6-e2644c8c90f2",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(F)c(F)c2F)C1=O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(F)c(F)c2F)C1=O",
    "ref_smiles": "O=C1C(Cl)=C(Nc2ccccc2I)C(=O)N1c1ccc(F)c(F)c1F",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "00860366-618e-4372-a2d0-6c5edc566f0a",
    "task": "sub",
    "question": "Modify the molecule O=C(COc1cccc(C=NNC(=O)C(=O)NC2CC2)c1)Nc1ccccc1C(F)(F)F by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(COc1cccc(C=NNC(=O)C(=O)NC2CC2)c1)Nc1ccccc1C(F)(F)F",
    "ref_smiles": "N#CC(c1ccccc1NC(=O)COc2cccc(C=NNC(=O)C(=O)NC3CC3)c2)F(F)F",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "49a57105-6f98-4515-93b7-b53e557b4b8a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC[NH2+]C(Cc1cc(F)cc(F)c1)c1ccc(Br)o1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH2+]C(Cc1cc(F)cc(F)c1)c1ccc(Br)o1",
    "ref_smiles": "CCC[NH2+]C(Cc1cc(F)cc(C(=O)[OH])c1)c1ccc(Br)o1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "8ce722c0-8f95-4ecd-ab51-259980e7f7f7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#Cc1ncn(C(F)F)c1C#N with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ncn(C(F)F)c1C#N",
    "ref_smiles": "N#Cc1ncn(C(F)S)c1C#N",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "9fa02d7c-d7f5-4da1-84b8-96081b2d876a",
    "task": "sub",
    "question": "Modify the molecule O=C1CC(N(C(=O)CCc2ccc(Cl)s2)C2CC2)C(=O)N1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CC(N(C(=O)CCc2ccc(Cl)s2)C2CC2)C(=O)N1",
    "ref_smiles": "O=C1CC(N(C(=O)CCc2ccc(O)s2)C2CC2)C(=O)N1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "125dfb6c-aac6-4998-b94b-0596f12616b0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1",
    "ref_smiles": "CCOCC(=O)NCC[NH+]1CCN(c2ccc(C(=O)O)cc2)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c1d64c0f-bbf2-4fbb-a129-b505b5558d97",
    "task": "sub",
    "question": "Modify the molecule COc1cccc(C=C2OC3C(=C(c4cccc(OC)c4OC)C2=O)OCC3O)c1OC by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(C=C2OC3C(=C(c4cccc(OC)c4OC)C2=O)OCC3O)c1OC",
    "ref_smiles": "COc1cccc(C=C2OC3C(=C(c4cccc(OC)c4OC)C2=O)OCC3C#N)c1OC",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "73bb75d7-1d04-4fe6-8a61-ef9ac03f6979",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)N(CCO)C(=O)C1CNC(=O)C[NH2+]1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N(CCO)C(=O)C1CNC(=O)C[NH2+]1",
    "ref_smiles": "CC(C)N(CCC#N)C(=O)C1CNC(=O)C[NH2+]1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "33b909a0-a65f-473f-a21e-c12c66aad423",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1",
    "ref_smiles": "CCOc1ccccc1N(CC(=O)N(Cc1ccc(S)cc1Cl)C(Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "04960d07-1269-47b2-8af7-9b8e1ca745b6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1CCCC2=C1C(c1ccc(Cl)cc1)c1c([nH]c(SCc3ccccc3Cl)nc1=O)N2 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CCCC2=C1C(c1ccc(Cl)cc1)c1c([nH]c(SCc3ccccc3Cl)nc1=O)N2",
    "ref_smiles": "O=C1CCCC2=C1C(c1ccc(C(=O)[OH])cc1)c1c([nH]c(SCc3ccccc3Cl)nc1=O)N2",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7b20d5bb-b338-4969-b5d5-e142bd070658",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)N1CC(=O)Nc2cc(N)cc(F)c21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)N1CC(=O)Nc2cc(N)cc(F)c21",
    "ref_smiles": "CC(C)(C)N1CC(=O)Nc2cc(N)cc(C#N)c21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e8cb11ef-d792-44fc-9d3b-a7e1b025141c",
    "task": "sub",
    "question": "Modify the molecule Cn1ccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1ccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1",
    "ref_smiles": "Cn1ccc(NC(=O)c2ccccc2Nc2ccc(SC(F)C(=O)O)cc2)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e177ffa7-d0a3-4056-9495-4dd65483367a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CSCC(C)(O)CNC(=O)CNC(=O)c1ccccc1Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSCC(C)(O)CNC(=O)CNC(=O)c1ccccc1Cl",
    "ref_smiles": "CSCC(C)(C#N)CNC(=O)CNC(=O)c1ccccc1Cl",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1b4104f2-58b4-47d6-b32d-0f4348a60211",
    "task": "sub",
    "question": "Modify the molecule Fc1ccc(F)c(-c2nnc(CCl)o2)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(F)c(-c2nnc(CCl)o2)c1",
    "ref_smiles": "N#Cc1ccc(F)c(-c2nnc(CCl)o2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "7e56fe7a-7583-4791-9cd8-1c909f0a2761",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH2+]C(CC(C)CC(C)(C)C)c1ccc(F)c(C)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(CC(C)CC(C)(C)C)c1ccc(F)c(C)c1",
    "ref_smiles": "CC[NH2+]C(CC(C)CC(C)(C)C)c1ccc(C(=O)[OH])c(C)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c3589494-3168-47f1-ae21-f2dbb286ca2c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(NCC1(O)CCC1)c1ccc2c(c1)OCO2 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCC1(O)CCC1)c1ccc2c(c1)OCO2",
    "ref_smiles": "O=C(NCC1(C(=O)[OH])CCC1)c1ccc2c(c1)OCO2",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6c40a09c-21be-4787-8b05-bac49d943067",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)C[NH+]1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCO with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C[NH+]1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCO",
    "ref_smiles": "CC(C)C[NH+]1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCF",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f480b87b-f285-4ca6-a128-898edf02c880",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(c1cc(Br)nc(N)n1)C1CCC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(c1cc(Br)nc(N)n1)C1CCC1",
    "ref_smiles": "CN(c1cc(C#N)nc(N)n1)C1CCC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "89868b2f-df63-49ea-ba04-cb1a464afc2d",
    "task": "sub",
    "question": "Modify the molecule CCCCCCOP(=O)([O-])OC(COCC(CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F)COP(=O)(OCCC#N)OCCCCCCOP(=O)(OCCC#N)OC(CC)COCC(CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCOP(=O)([O-])OC(COCC(CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F)COP(=O)(OCCC#N)OCCCCCCOP(=O)(OCCC#N)OC(CC)COCC(CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F",
    "ref_smiles": "CCCCCOP(=O)([O-])OC(COCC(CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)C(=O)O)COP(=O)(OCCC#N)OCCCCCCOP(=O)(OCCC#N)OC(CC)COCC(CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3ce3ecd9-ae11-4bae-ae47-c187719b14ed",
    "task": "sub",
    "question": "Modify the molecule COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(OC)c(Cl)c3)c2oc1=O by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(OC)c(Cl)c3)c2oc1=O",
    "ref_smiles": "CC(=O)c1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1CNc1ccc(OC)c(Cl)c1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "94a94f41-fa51-4237-8190-566c5f354927",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1",
    "ref_smiles": "CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cc2cc(Cl)ccc2o1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "a1830399-032f-4369-ab53-6744579a39f4",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CCOc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]",
    "ref_smiles": "CCOc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1[SH]",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "61311f69-98d7-4326-a9b9-41a51a3d8e16",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCC(CC#N)NCCOCCOC with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC#N)NCCOCCOC",
    "ref_smiles": "CCC(CO)NCCOCCOC",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "a6cbdded-7940-4afd-a0d9-536d0a02df43",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1",
    "ref_smiles": "CC(Cc1cccc(S)c1)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "ddebdf69-70ef-4062-bbb5-be6b2dc13189",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(CCn1nc(-c2ccccc2)cc1-c1ccccc1)N=Nc1c(O)[nH]c2ccccc12 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCn1nc(-c2ccccc2)cc1-c1ccccc1)N=Nc1c(O)[nH]c2ccccc12",
    "ref_smiles": "N#Cc1[nH]c2ccccc2c1N=NC(=O)CCn1nc(-c2ccccc2)cc1-c1ccccc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b5846d75-001f-47b0-b08b-3227bbfe887d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)c1c(Cl)ncnc1NCC1(C2CC2)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1c(Cl)ncnc1NCC1(C2CC2)CC1",
    "ref_smiles": "CC(C)c1c([N+](=O)[O-])ncnc1NCC1(C2CC2)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f062a5ee-6387-4ebe-a743-e6e9f3040b9f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)NC(=O)N(CCC[NH3+])c1ccc(F)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)NC(=O)N(CCC[NH3+])c1ccc(F)cc1",
    "ref_smiles": "CC(C)(C)NC(=O)N(CCC[NH3+])c1ccc([N+](=O)[O-])cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "482b2853-f19c-4ea7-b792-f50dcaaf2fe4",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1cc(C(=O)[O-])cc(-c2cn[nH]c2N)c1O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C(=O)[O-])cc(-c2cn[nH]c2N)c1O",
    "ref_smiles": "COc1cc(C(=O)[O-])cc(-c2cn[nH]c2N)c1S",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "860de1bc-ac0f-498f-a238-b95a7eeea021",
    "task": "sub",
    "question": "Modify the molecule O=C(Nc1ccc(Nc2cccc(F)c2)nc1)c1ccc2c(c1)OCO2 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(Nc2cccc(F)c2)nc1)c1ccc2c(c1)OCO2",
    "ref_smiles": "O=C(Nc1ccc(Nc2cccc(C=O)c2)nc1)c1ccc2c(c1)OCO2",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a4711f4b-15ca-4324-bd67-d26efd7230ca",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)C1CCN(c2ccc(Br)cc2CO)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)C1CCN(c2ccc(Br)cc2CO)C1",
    "ref_smiles": "CC(=O)c1ccc(N2CCC(C(N)=O)C2)c(CO)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f8e01046-5d87-41a9-8e07-8c85ea14a637",
    "task": "sub",
    "question": "Modify the molecule CCN(CC)C(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N(CC)CC)ccc3Cl)CC2)c(C)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC)C(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N(CC)CC)ccc3Cl)CC2)c(C)c1",
    "ref_smiles": "CCN(CC)C(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N(CC)CC)ccc3NO)CC2)c(C)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1ffd12ec-5b25-4ed0-9d28-9b9ff2cd7dba",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccccc1N1C(=O)CSC1c1cccc(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1N1C(=O)CSC1c1cccc(Cl)c1",
    "ref_smiles": "CC(=O)c1cccc(C2SCC(=O)N2c2ccccc2OC)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ff9cf602-8a1b-4b91-9b61-8a24d432dca5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])CC1CCC[NH2+]C1c1ccc(C(F)(F)F)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CC1CCC[NH2+]C1c1ccc(C(F)(F)F)cc1",
    "ref_smiles": "O=C([O-])CC1CCC[NH2+]C1c1ccc(C(O)(F)F)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4d53d1a7-7a27-48b0-9bc4-59e66608a22e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+]1CCC(CNc2ccc(Br)c(Cl)c2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]1CCC(CNc2ccc(Br)c(Cl)c2)CC1",
    "ref_smiles": "CC(=O)c1ccc(NCC2CC[NH+](C)CC2)cc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "00b5b2c3-e4c1-47d0-a504-4e9aea1f3231",
    "task": "sub",
    "question": "Modify the molecule CNC(=O)C1CN(C(=O)CC(C)(C)CC([NH3+])C(O)CC(C)C(=O)[O-])c2ccccc21 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)C1CN(C(=O)CC(C)(C)CC([NH3+])C(O)CC(C)C(=O)[O-])c2ccccc21",
    "ref_smiles": "CC(=O)C(CC(C)C(=O)[O-])C([NH3+])CC(C)(C)CC(=O)N1CC(C(=O)NC)c2ccccc21",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c49a46e2-42e1-4cf4-81d7-78a2e93a1c72",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)c1nnsc1C(=O)NCc1cc(N)ccc1O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1nnsc1C(=O)NCc1cc(N)ccc1O",
    "ref_smiles": "CC(C)c1nnsc1C(=O)NCc1cc(N)ccc1Br",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7c838abc-e532-40a1-b81c-5d5801474c91",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)C2c2ccc(OCC(C)C)cc2)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)C2c2ccc(OCC(C)C)cc2)c1",
    "ref_smiles": "CC(=O)c1cccc(N2C(=O)C(C#N)=C(c3cccc(OCC(C)C)c3)C2c2ccc(OCC(C)C)cc2)c1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d40e3f8c-9190-473f-9ad8-59a29c64888e",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C(C)O)ccc1OCC1CC1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(C)O)ccc1OCC1CC1",
    "ref_smiles": "Cc1cc(C(C)S)ccc1OCC1CC1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4fa01dcd-1f4f-40ed-a981-77b66ab06c69",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C(=O)NCc4ccc(F)cc4)ccc3C)C(C)C)CC2)c(C)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C(=O)NCc4ccc(F)cc4)ccc3C)C(C)C)CC2)c(C)c1",
    "ref_smiles": "CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C(=O)NCc4ccc(C#N)cc4)ccc3C)C(C)C)CC2)c(C)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "821b1461-d0d2-4b8b-9dc9-d684904e5a75",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1ccc(S(=O)(=O)Cc2ccc(Br)cc2)c(Cl)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1ccc(S(=O)(=O)Cc2ccc(Br)cc2)c(Cl)c1",
    "ref_smiles": "Nc1ccc(S(=O)(=O)Cc2ccc(O)cc2)c(Cl)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "21915f61-ba46-4332-8b6f-400ecf60365a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC1CN(CC(C)(C)O)CC[NH+]1CC(C)O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CN(CC(C)(C)O)CC[NH+]1CC(C)O",
    "ref_smiles": "CCC1CN(CC(C)(C)C(=O)O)CC[NH+]1CC(C)O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "91b39ac8-9626-4e15-ab44-02c59b7e41c2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nn(Cc2cccc3c2OC(C)(C)C3)c(N)c1Br with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nn(Cc2cccc3c2OC(C)(C)C3)c(N)c1Br",
    "ref_smiles": "CC(=O)c1c(C)nn(Cc2cccc3c2OC(C)(C)C3)c1N",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "45cb1af0-0fc0-44b3-ab7e-29c6fc0b63bf",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)Cc1ccc(C(C)C(=O)Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)Cc1ccc(C(C)C(=O)Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)cc1",
    "ref_smiles": "CC(C)Cc1ccc(C(C)C(=O)Oc2cc(S)cc(C=Cc3ccc(O)cc3)c2)cc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "580e4ab4-7991-446c-adac-c61f5f9c881a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1",
    "ref_smiles": "CC(C)CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(O)c(Cl)c2)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "54d0699b-f1d0-46b4-abf9-f2dfe7a11d10",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+](C)CCCC(O)(c1ccc(F)cc1)c1ccc(C(=O)[O-])cc1CO with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCCC(O)(c1ccc(F)cc1)c1ccc(C(=O)[O-])cc1CO",
    "ref_smiles": "CC(=O)c1ccc(C(O)(CCC[NH+](C)C)c2ccc(C(=O)[O-])cc2CO)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "2d34901c-a651-4376-a8bc-a8155eac5813",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)c1ccc(F)cc1OCCCCC(C)(C)C#N with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)c1ccc(F)cc1OCCCCC(C)(C)C#N",
    "ref_smiles": "CC(C#N)c1ccc(F)cc1OCCCCC(C)(C)C#N",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "8205d554-9319-4928-9261-a050eb05468d",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C(N)=[NH+]O)ccc1C[NH2+]Cc1ccc(Br)s1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(N)=[NH+]O)ccc1C[NH2+]Cc1ccc(Br)s1",
    "ref_smiles": "CC(=O)[NH+]=C(N)c1ccc(C[NH2+]Cc2ccc(Br)s2)c(C)c1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1c1e2761-29d0-4e93-886d-55f70ed5ea38",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2coc3ccc(F)cc3c2=O)cc1OC with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2coc3ccc(F)cc3c2=O)cc1OC",
    "ref_smiles": "CCOc1ccc(C2=C(C(=O)[OH])C(=O)N(c3cccc(C)c3)C2c2coc3ccc(F)cc3c2=O)cc1OC",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9c5973f6-12c5-4e3e-88a7-1dd35c192af9",
    "task": "sub",
    "question": "Modify the molecule Nc1nccc(C(=O)Nc2ccc(Br)cc2Br)c1F by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1nccc(C(=O)Nc2ccc(Br)cc2Br)c1F",
    "ref_smiles": "Nc1nccc(C(=O)Nc2ccc(S)cc2Br)c1F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "fdb1cda4-e4b6-4d1d-a198-417af3c1b0b3",
    "task": "sub",
    "question": "Modify the molecule O=C(CCCC1CCCO1)Cc1cccc(Cl)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCCC1CCCO1)Cc1cccc(Cl)c1",
    "ref_smiles": "O=C(CCCC1CCCO1)Cc1cccc(S)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "5df12a64-bd9a-4d71-b324-2ec5fb8810fe",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]C1C2=C([NH+]=CN1c1ccc(F)c(Cl)c1)N(c1cccc(C[NH+]3CCOCC3)c1)C([NH3+])S2 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C1C2=C([NH+]=CN1c1ccc(F)c(Cl)c1)N(c1cccc(C[NH+]3CCOCC3)c1)C([NH3+])S2",
    "ref_smiles": "[NH3+]C1C2=C([NH+]=CN1c1ccc(O)c(Cl)c1)N(c1cccc(C[NH+]3CCOCC3)c1)C([NH3+])S2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "50da16b2-8dc8-49d7-b03e-ceae6dffbb2f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC1CCC(O)(c2ccc(C)c(C)c2)C1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCC(O)(c2ccc(C)c(C)c2)C1",
    "ref_smiles": "CCC1CCC(C(=O)O)(c2ccc(C)c(C)c2)C1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cd44f306-0ba8-4b8d-aac0-6e8c7633074c",
    "task": "sub",
    "question": "Modify the molecule Nc1cc2c(=O)nc[nH]c2cc1Nc1cc(Br)ccc1Cl by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1cc2c(=O)nc[nH]c2cc1Nc1cc(Br)ccc1Cl",
    "ref_smiles": "Nc1cc2c(=O)nc[nH]c2cc1Nc1cc(O)ccc1Cl",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "5418ad07-3b8c-4337-8214-5be9186ccfc2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)OC(C)(C)C)c3c(F)c(Cl)ccc23)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)OC(C)(C)C)c3c(F)c(Cl)ccc23)c1",
    "ref_smiles": "CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)OC(C)(C)C)c3c([N+](=O)[O-])c(Cl)ccc23)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "184fa7db-4e87-4133-880a-2243cf8d0d44",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1ccc(C([NH3+])c2cccc(Br)c2F)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(C([NH3+])c2cccc(Br)c2F)cc1",
    "ref_smiles": "CCc1ccc(C([NH3+])c2cccc(C(=O)[OH])c2F)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "05e9933e-f6e8-4842-9be1-9adfd39c851b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CCC(O)(CC=C)CNC(=O)C1CCC(=O)N(C2CCCC2)C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCC(O)(CC=C)CNC(=O)C1CCC(=O)N(C2CCCC2)C1",
    "ref_smiles": "C=CCC(CC=C)(CNC(=O)C1CCC(=O)N(C2CCCC2)C1)NO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "faa2268a-76a8-4f1f-a7c2-29a4e09e2f03",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(NC(=O)C2(O)CCSCC2)c(Cl)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)C2(O)CCSCC2)c(Cl)c1",
    "ref_smiles": "CC(=O)c1cc(C)ccc1NC(=O)C1(O)CCSCC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "b1441a98-fcd6-464a-9bb9-1a2e2af120c1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCC(C(O)c1ccc2c(Cl)c(OC)ccc2c1)[NH+]1CCN(c2ccccc2OC)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC(C(O)c1ccc2c(Cl)c(OC)ccc2c1)[NH+]1CCN(c2ccccc2OC)CC1",
    "ref_smiles": "CC(=O)C(c1ccc2c(Cl)c(OC)ccc2c1)C(CCCC)[NH+]1CCN(c2ccccc2OC)CC1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ae01b4a7-8b9e-4216-9d66-bc83c2ea8582",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C1CCC[NH2+]1)C(C)O)C(C)O)C(=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C1CCC[NH2+]1)C(C)O)C(C)O)C(=O)[O-]",
    "ref_smiles": "CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C1CCC[NH2+]1)C(C)O)C(C)O)C(=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2959f716-4f1e-4bfa-b480-9698effc173d",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)CN(C)c1cc[nH+]cc1Br by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)CN(C)c1cc[nH+]cc1Br",
    "ref_smiles": "CC(=O)c1c[nH+]ccc1N(C)CC(=O)OCC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "96dfd43e-eab2-449e-aa6a-9ad1c69cc30e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Oc1cccc(Cc2nc3cccc(Cl)n3n2)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Oc1cccc(Cc2nc3cccc(Cl)n3n2)c1",
    "ref_smiles": "N#Cc1cccc2nc(Cc3cccc(O)c3)nn12",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "b53b1fcf-eb0e-42cb-8d42-ffd9961fd676",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C([NH3+])CC2CCCCCC2)c(F)c1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C([NH3+])CC2CCCCCC2)c(F)c1F",
    "ref_smiles": "CC(=O)c1c(C([NH3+])CC2CCCCCC2)ccc(C)c1F",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "178543ae-098c-4f17-988a-afffaf0cd3f4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cccc2c1nc(CCl)n2C1(C)CCOCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc2c1nc(CCl)n2C1(C)CCOCC1",
    "ref_smiles": "COc1cccc2c1nc(CO)n2C1(C)CCOCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "adaff2c9-410f-4b7e-a607-e473a4c782de",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(CCO)C(=O)c1cnn(-c2ccccc2Cl)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(CCO)C(=O)c1cnn(-c2ccccc2Cl)c1",
    "ref_smiles": "CN(CCO)C(=O)c1cnn(-c2ccccc2C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2f7ef51e-45a2-46b4-b64b-6650265af963",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(C(F)F)C1CCCCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(C(F)F)C1CCCCC1",
    "ref_smiles": "NC(C(O)F)C1CCCCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0689c643-096b-4713-9bb1-dc420b67e39a",
    "task": "sub",
    "question": "Modify the molecule CC(CCCCNC(=O)C=CC=Cc1ccccc1)C(=O)NO by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CCCCNC(=O)C=CC=Cc1ccccc1)C(=O)NO",
    "ref_smiles": "CC(CCCCNC(=O)C=CC=Cc1ccccc1)C(=O)NI",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4fb344e8-b4fe-4df7-8a81-a2ba7bab0018",
    "task": "sub",
    "question": "Modify the molecule CC(C)COC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)COC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1",
    "ref_smiles": "CC(C)COC(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "56a988c4-4161-40cb-8073-c8e2d7f48519",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(Sc2ncccc2Cl)c(CC(C)[NH3+])c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(Sc2ncccc2Cl)c(CC(C)[NH3+])c1",
    "ref_smiles": "Cc1ccc(Sc2ncccc2O)c(CC(C)[NH3+])c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "e143b5a2-63f8-4fc0-a982-4831f35403c4",
    "task": "sub",
    "question": "Modify the molecule CCCOc1ccc(Br)cc1CNc1ccc2[nH]c(=O)[nH]c2c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1ccc(Br)cc1CNc1ccc2[nH]c(=O)[nH]c2c1",
    "ref_smiles": "CCCOc1ccc(C#N)cc1CNc1ccc2[nH]c(=O)[nH]c2c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "6054c3e6-691d-41d6-9033-1d0dc2e71f5d",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(OCC(O)COc2ccc(I)cc2)cc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(OCC(O)COc2ccc(I)cc2)cc1",
    "ref_smiles": "CC(=O)c1ccc(OCC(O)COc2ccc(OC)cc2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "38d8c901-b3f3-48b0-b13f-d26d8d07f41e",
    "task": "sub",
    "question": "Modify the molecule C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1",
    "ref_smiles": "C=CCN(CC=C)C(=O)c1ccc(C(=O)[OH])c(S(=O)(=O)Nc2ccc(Br)cc2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "1d5f74b2-23a5-4b15-9e88-491e06703d80",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1CN(c2c(F)c(F)c(F)c(F)c2F)CC(=O)O1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CN(c2c(F)c(F)c(F)c(F)c2F)CC(=O)O1",
    "ref_smiles": "O=C1CN(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)CC(=O)O1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "bb18d08d-186a-44b8-a85c-aeb654d996b6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])c1nn(-c2ccccn2)c(-c2ccccc2)c1Br with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1nn(-c2ccccn2)c(-c2ccccc2)c1Br",
    "ref_smiles": "N#Cc1c(C(=O)[O-])nn(-c2ccccn2)c1-c1ccccc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "26bebca9-efe0-453a-bb33-bfcf2a0d4aa1",
    "task": "sub",
    "question": "Modify the molecule COc1cc(Cl)c(C)cc1NC(=O)c1cncc(C(=O)NC(C)C)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(Cl)c(C)cc1NC(=O)c1cncc(C(=O)NC(C)C)c1",
    "ref_smiles": "COc1cc(S)c(C)cc1NC(=O)c1cncc(C(=O)NC(C)C)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "268f82ed-4a03-41dc-9f97-8e6845c795ff",
    "task": "sub",
    "question": "Modify the molecule COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccccc3)cc2)sc2ccc(Cl)c(C)c21 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccccc3)cc2)sc2ccc(Cl)c(C)c21",
    "ref_smiles": "COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccccc3)cc2)sc2cccc(CHO)c21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c9330c50-7f88-42d4-93f7-29060e76d169",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule NC(COc1ccc2c(c1)CCC(=O)N2)=[NH+]O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(COc1ccc2c(c1)CCC(=O)N2)=[NH+]O",
    "ref_smiles": "NC(COc1ccc2c(c1)CCC(=O)N2)=[NH+]NO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2c0f053b-fb1a-4c6b-a179-431f07c8249b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(CC)C[NH+](CC)CCOCCCl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)C[NH+](CC)CCOCCCl",
    "ref_smiles": "CCC(CC)C[NH+](CC)CCOCC(=O)H",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "7452ade2-96bc-43d1-aebc-72a7642e0334",
    "task": "sub",
    "question": "Modify the molecule CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1",
    "ref_smiles": "CC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(-c3c(CC)noc3NC(C)=O)ccc2C)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "92fb19cf-cc99-4822-9e2b-8efb5ea6333e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CS(=O)(=O)CCOS(=O)(=O)C(F)(F)F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)CCOS(=O)(=O)C(F)(F)F",
    "ref_smiles": "CS(=O)(=O)CCOS(=O)(=O)C(F)(F)NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "bb863d0a-2a60-4394-9d1b-c6f41557623d",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)NCC(C)C)c2C)CC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)NCC(C)C)c2C)CC1",
    "ref_smiles": "Cc1cc(C(=O)Nc2ccc(C#N)cc2F)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)NCC(C)C)c2C)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3d8bc8d4-5c04-4111-9d4b-55424e660661",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)COC(=O)CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)NC(C)C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)COC(=O)CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)NC(C)C",
    "ref_smiles": "CC(C)COC(=O)CN(C(=O)Nc1cc(Cl)cc(C(=O)[OH])c1)C(=O)NC(C)C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "94ce10e4-2347-4f41-a6bd-a6ac7b2502ae",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]CC(c1cccc(Br)c1)C1CCSCC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CC(c1cccc(Br)c1)C1CCSCC1",
    "ref_smiles": "N#Cc1cccc(C(C[NH3+])C2CCSCC2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "1f510617-0dd9-423e-9363-8c6d0d217f7e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])C1CCN(CC(Cl)=CCl)c2ccccc21 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])C1CCN(CC(Cl)=CCl)c2ccccc21",
    "ref_smiles": "O=C([O-])C1CCN(CC=C)c2cc([N+](=O)[O-])ccc21",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "eedcd62d-481b-434c-99a1-f7144a1183e9",
    "task": "sub",
    "question": "Modify the molecule N#CC=CCCC(CO)NC(=O)[O-] by substituting a nitrile with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC=CCCC(CO)NC(=O)[O-]",
    "ref_smiles": "O=C([O-])NC(CO)CCC=CBr",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "c44f5f0d-0897-4c69-a321-bcfc69a99358",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=O)C1=C([O-])C2C(=O)C3=C([O-])c4c(O)ccc(C=C5CCC5)c4CC3CC2CC1=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)C1=C([O-])C2C(=O)C3=C([O-])c4c(O)ccc(C=C5CCC5)c4CC3CC2CC1=O",
    "ref_smiles": "CC(=O)C1=C([O-])C2C(=O)C3=C([O-])c4c(C(=O)O)ccc(C=C5CCC5)c4CC3CC2CC1=O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a49e4b26-f5d4-4158-8ca4-f762911f30d1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCC=CCCCCCCCCCCC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCC=CCCCCCCCCCCC",
    "ref_smiles": "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1OC(CC#N)C(O)C(O)C1O)OC(=O)CCCCC=CCCCCCCCCCCC",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "324a3aa5-4e85-4219-89e8-b76df2ef16aa",
    "task": "sub",
    "question": "Modify the molecule CC(=O)c1ccc(NCC#N)cc1 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(NCC#N)cc1",
    "ref_smiles": "CC(=O)c1ccc(NCNO)cc1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "76cae3b5-f016-4503-bb42-3a289d264c05",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CSCCCNc1ccc(OC(F)F)c(Cl)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSCCCNc1ccc(OC(F)F)c(Cl)c1",
    "ref_smiles": "CSCCCNc1ccc(OC(F)C#N)c(Cl)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "df1653f3-e9d8-41c7-bd65-d9273fa1af41",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCC(c1ccccc1O)C(CCCC)CCCC with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCC(c1ccccc1O)C(CCCC)CCCC",
    "ref_smiles": "CCCCCC(c1ccccc1Br)C(CCCC)CCCC",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6536cf01-960d-402c-accd-1643e48fe2f9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1ccc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)cc1",
    "ref_smiles": "CCc1ccc(NC(=O)c2sc(COc3ccc(C=O)c3)nc2C)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "bfaffd69-6466-483c-96e6-138c0f82148b",
    "task": "sub",
    "question": "Modify the molecule C=CCc1cc(CC=Cc2ccccc2)c(O)c(OC)c1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCc1cc(CC=Cc2ccccc2)c(O)c(OC)c1",
    "ref_smiles": "C=CCc1cc(CC=Cc2ccccc2)c(S)c(OC)c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a17f4fa8-dd42-4585-be43-db46fda9bdd4",
    "task": "sub",
    "question": "Modify the molecule [NH3+]C1(CNC(=O)N2CCOc3cc(O)ccc3C2)C2CC3CC(C2)CC1C3 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C1(CNC(=O)N2CCOc3cc(O)ccc3C2)C2CC3CC(C2)CC1C3",
    "ref_smiles": "N#Cc1ccc2c(c1)OCCN(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7c5b401e-0b41-437c-9ed3-9020791eebcf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])CCC(O)C1(Cl)C=CC(c2ccccc2)C=C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CCC(O)C1(Cl)C=CC(c2ccccc2)C=C1",
    "ref_smiles": "O=C([O-])CCC(O)C1([N+](=O)[O-])C=CC(c2ccccc2)C=C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "8ebc7ea0-0da0-4569-ac8d-2a595129e37f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc2nc(Cl)c(C[NH+]3CCc4[nH]c(N)nc(=O)c4C3)cc2c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc2nc(Cl)c(C[NH+]3CCc4[nH]c(N)nc(=O)c4C3)cc2c1",
    "ref_smiles": "COc1ccc2nc(NO)c(C[NH+]3CCc4[nH]c(N)nc(=O)c4C3)cc2c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "4a3da17d-6436-4bfd-82a2-48c984f4e2b6",
    "task": "sub",
    "question": "Modify the molecule CCOc1ccc(NCCOC)cc1Cl by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(NCCOC)cc1Cl",
    "ref_smiles": "CCOc1ccc(NCCOC)cc1C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "5d01702d-174e-48fa-b483-723382c23caf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F",
    "ref_smiles": "C=C(C)C(=O)OC(CC)C(F)(C#N)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "ecd34882-7fbc-4eea-a4c3-7ebccc9ec5a6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CSc1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(Cl)cc4)cc23)s1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSc1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(Cl)cc4)cc23)s1",
    "ref_smiles": "CSc1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(C#N)cc4)cc23)s1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "05d09003-fa82-453f-b483-3b2c9db47631",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]Cc1cc(Cl)cc(S(=O)(=O)N(C)C(C)CSC)c1Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]Cc1cc(Cl)cc(S(=O)(=O)N(C)C(C)CSC)c1Cl",
    "ref_smiles": "C[NH2+]Cc1cc(C#N)cc(S(=O)(=O)N(C)C(C)CSC)c1Cl",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "ceb625e9-3edb-4b7a-a2b2-65a2e3a69965",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(C[NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C[NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F",
    "ref_smiles": "COc1cc(C[NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)ccc1OC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "36642765-3050-494f-8a63-83e3907ed007",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1",
    "ref_smiles": "CC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "4295ddee-8732-40ca-a3b3-9e006c3b86a1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C)c(C(C)NC(=O)COc2ccc(Cl)cc2Cl)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C)c(C(C)NC(=O)COc2ccc(Cl)cc2Cl)c1",
    "ref_smiles": "Cc1ccc(C)c(C(C)NC(=O)COc2ccc(C#N)cc2Cl)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2e9b546f-5111-447b-961b-f99379b6847b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(F)c(OCC2C[NH2+]CCO2)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(F)c(OCC2C[NH2+]CCO2)c1",
    "ref_smiles": "Cc1ccc(O)c(OCC2C[NH2+]CCO2)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "b01fc776-db0a-4131-9be0-5a12a7eade75",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nccnc1N1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nccnc1N1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1",
    "ref_smiles": "Cc1nccnc1N1CC[NH+](CC(=O)Nc2cc(C(=O)O)ccc2F)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "be19b482-b124-4f32-9191-e916c237baf0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(CC)OC(CC(C)(C)C1CCCCC1)Oc1ccc(CI)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)OC(CC(C)(C)C1CCCCC1)Oc1ccc(CI)cc1",
    "ref_smiles": "CCC(CC)OC(CC(C)(C)C1CCCCC1)Oc1ccc(C[N+](=O)[O-])cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f1ed4e35-af25-4d80-b2be-bb9c17bbaaa8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C#CCNC(=O)C(C)Oc1c(Br)cc(CC[NH3+])cc1OC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCNC(=O)C(C)Oc1c(Br)cc(CC[NH3+])cc1OC",
    "ref_smiles": "C#CCNC(=O)C(C)Oc1c(C#N)cc(CC[NH3+])cc1OC",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "bf29712b-1da8-41b8-8c8e-a3b230d5b1f3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)CC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C([NH3+])Cc1ccc(I)cc1)C(=O)[O-] with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C([NH3+])Cc1ccc(I)cc1)C(=O)[O-]",
    "ref_smiles": "CC(C)CC(NC(=O)C(CCl)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C([NH3+])Cc1ccc(I)cc1)C(=O)[O-]",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5f45b85e-2502-40f6-940c-31437f54bea9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCn1ncc(Cl)c1C(CCC(C)OC)NN with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCn1ncc(Cl)c1C(CCC(C)OC)NN",
    "ref_smiles": "COCCn1ncc(C(=O)[OH])c1C(CCC(C)OC)NN",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a6b04ed4-05ea-42ae-9bbd-f36861e8e4d1",
    "task": "sub",
    "question": "Modify the molecule CCC(=O)NCC1CN(c2ccc(O)c(F)c2)C(=O)O1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)NCC1CN(c2ccc(O)c(F)c2)C(=O)O1",
    "ref_smiles": "CCC(=O)NCC1CN(c2ccc([N+](=O)[O-])c(F)c2)C(=O)O1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "df8a62b7-ffd4-49bd-8137-fbc7d2a7e6ae",
    "task": "sub",
    "question": "Modify the molecule C=C(c1ccccc1)C(C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1C)[N+](=O)[O-] by substituting a nitro with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(c1ccccc1)C(C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1C)[N+](=O)[O-]",
    "ref_smiles": "C=C(c1ccccc1)C([SH]=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1C",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "2c17c745-d78f-4f8e-a6e3-b55c39499a10",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCN(CCO)C(=O)c1cc(O)ccc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(CCO)C(=O)c1cc(O)ccc1Cl",
    "ref_smiles": "CCCN(CCO)C(=O)c1cc(O)ccc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "43f9e837-8be6-4494-a79a-58267b2eba13",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C([O-])CC(N=C1c2ccccc2C=CC1O)C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CC(N=C1c2ccccc2C=CC1O)C(=O)[O-]",
    "ref_smiles": "O=C([O-])CC(N=C1c2ccccc2C=CC1S)C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "283f3593-7e0d-4fae-84b2-902c3742ca56",
    "task": "sub",
    "question": "Modify the molecule Clc1cc(Cl)c(Nc2c(Br)cccc2Br)nc1Cl by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1cc(Cl)c(Nc2c(Br)cccc2Br)nc1Cl",
    "ref_smiles": "O=C(O)c1cc(Cl)c(Nc2c(Br)cccc2Br)nc1Cl",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "d645f74a-f14d-4cfe-8674-0bf63e8da3dd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2)c1C with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2)c1C",
    "ref_smiles": "CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(NC(C)=O)c(C#N)c3)CC2)c1C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "084d8362-f1e9-4a3a-a02f-54e208184aed",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN1C(C[NH3+])Cc2[nH]cnc2C1c1ccc(Br)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1C(C[NH3+])Cc2[nH]cnc2C1c1ccc(Br)cc1",
    "ref_smiles": "CN1C(C[NH3+])Cc2[nH]cnc2C1c1ccc(C#N)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "8aad6905-e654-4df1-9e0f-b5c120ff0675",
    "task": "sub",
    "question": "Modify the molecule CCC(=O)C(C(=O)CC)C(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)C(C(=O)CC)C(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1",
    "ref_smiles": "CCC(=O)C(C(=O)CC)C(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)C#N)cc2Cl)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e92ff7a4-9c56-41eb-a5b3-85c24a10eff2",
    "task": "sub",
    "question": "Modify the molecule O=C(CCn1cnc2c(=O)nc[nH]c21)NCCOCCO by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCn1cnc2c(=O)nc[nH]c21)NCCOCCO",
    "ref_smiles": "CC(=O)CCOCCNC(=O)CCn1cnc2c(=O)nc[nH]c21",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "587dfbe6-4641-4646-b570-98cbdd885106",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]C(c1cncnc1)c1cc(F)c(F)c(F)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(c1cncnc1)c1cc(F)c(F)c(F)c1",
    "ref_smiles": "C[NH2+]C(c1cncnc1)c1cc(F)c(F)c(C(=O)O)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7ef66792-71e2-4e7a-bc20-d9477872ec56",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=C[Si](C)(Cl)c1ccccc1C[NH+](C)C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C[Si](C)(Cl)c1ccccc1C[NH+](C)C",
    "ref_smiles": "CC(=O)[Si](C)(C=C)c1ccccc1C[NH+](C)C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "5a2bf8c5-522d-4586-989a-4de7304368d8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCN(Cc1cc(Cl)ccc1F)C1CC[NH2+]C1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(Cc1cc(Cl)ccc1F)C1CC[NH2+]C1",
    "ref_smiles": "CCCN(Cc1cc(O)ccc1F)C1CC[NH2+]C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "16aeb5e8-1f02-42a4-b19c-564c2bd74a76",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1CCCc2nc(-c3c(F)cccc3Cl)sc21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CCCc2nc(-c3c(F)cccc3Cl)sc21",
    "ref_smiles": "O=C1CCCc2nc(-c3c(CHO)cccc3Cl)sc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "1e2cc659-0ece-4d98-980a-afc92d0eefc6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCc1ccc(C(=O)N(NCCCl)c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1ccc(C(=O)N(NCCCl)c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)cc1",
    "ref_smiles": "CCCc1ccc(C(=O)N(NCCC(=O)O)c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "207bea09-7620-43df-88f9-85709daed972",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+](C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1",
    "ref_smiles": "C[NH+](C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(O)c2)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "3edfc168-006b-464b-9acb-a53936875383",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1",
    "ref_smiles": "CNC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(C(=O)[OH])cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "97bf91a7-9ba6-4d64-93ec-0789f76c547c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1=NN(c2ccc(N)cc2Cl)C(=O)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=NN(c2ccc(N)cc2Cl)C(=O)C1",
    "ref_smiles": "CC(=O)c1cc(N)ccc1N1N=C(C)CC1=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e970c311-9d60-4a2e-89ae-97867ddb8011",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Clc1cccc(C2CCc3cc(-c4ccccc4)oc3-n3cccc32)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1cccc(C2CCc3cc(-c4ccccc4)oc3-n3cccc32)c1",
    "ref_smiles": "O=C([OH])c1cccc(C2CCc3cc(-c4ccccc4)oc3-n3cccc32)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "bb1fa5f7-3491-4cbb-85da-3a54f74f39be",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(CNC(=O)Nc2ccccc2OC(F)(F)F)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(CNC(=O)Nc2ccccc2OC(F)(F)F)c1",
    "ref_smiles": "Cc1cccc(CNC(=O)Nc2ccccc2OC(O)(F)F)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "81aee12d-62e0-4220-9fb8-e1950637730b",
    "task": "sub",
    "question": "Modify the molecule C[NH+]1C2CCC1CC(OC(=O)C(Cc1ccccc1)Oc1ccc(Cl)cc1)C2 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]1C2CCC1CC(OC(=O)C(Cc1ccccc1)Oc1ccc(Cl)cc1)C2",
    "ref_smiles": "C[NH+]1C2CCC1CC(OC(=O)C(Cc1ccccc1)Oc1ccc(C#N)cc1)C2",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "89a11619-367a-4d22-84f4-ca1fc6bdfb60",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1",
    "ref_smiles": "CC(Nc1ccnc(NCCOc2ccc(C(=O)O)cc2)n1)c1ccccc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "00da9e6f-8502-4597-8882-84f06e1c567d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(Br)c2[nH]c(C)c(C[NH3+])c12 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(Br)c2[nH]c(C)c(C[NH3+])c12",
    "ref_smiles": "CC(=O)c1ccc(OC)c2c(C[NH3+])c(C)[nH]c12",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cdea3c50-105f-4fc5-9597-2d16b9adc475",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)CNC(=O)c1ccc(CNC(=O)Cn2ccc3ccc(Cl)cc32)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)CNC(=O)c1ccc(CNC(=O)Cn2ccc3ccc(Cl)cc32)cc1",
    "ref_smiles": "NC(=O)CNC(=O)c1ccc(CNC(=O)Cn2ccc3ccc(NO)cc32)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "bcf5cca0-5d67-4c26-b86d-8c8724f01141",
    "task": "sub",
    "question": "Modify the molecule O=NC=C(c1ccccc1)c1c(O)[nH]c2ncccc12 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=NC=C(c1ccccc1)c1c(O)[nH]c2ncccc12",
    "ref_smiles": "O=NC=C(c1ccccc1)c1c(C(=O)[OH])[nH]c2ncccc12",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "604798ce-8854-4018-9c31-53ba6c8572e2",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COC(=O)CCC1OB(O)c2cc(O)cc(C)c21 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)CCC1OB(O)c2cc(O)cc(C)c21",
    "ref_smiles": "COC(=O)CCC1OB(C(=O)[OH])c2cc(O)cc(C)c21",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "79daec91-3a61-440b-9d3e-72ac23c9538a",
    "task": "sub",
    "question": "Modify the molecule O=S1(=O)CCCC(Cl)C1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=S1(=O)CCCC(Cl)C1",
    "ref_smiles": "ONC1CCCS(=O)(=O)C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6d3e448f-1377-4357-ae52-3e8f2c0523ad",
    "task": "sub",
    "question": "Modify the molecule Cc1c(CO)sc2ncnn12 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(CO)sc2ncnn12",
    "ref_smiles": "Cc1c(CF)sc2ncnn12",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2b1e467a-3aa7-403a-9848-432359990f50",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)oc(C)c1C(C)=O by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)oc(C)c1C(C)=O",
    "ref_smiles": "CCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cc(C#N)ccc3OC)C2)oc(C)c1C(C)=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "42e0b0c4-1234-401d-ab83-18ca2c32c39c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)COc1ccc(Br)cc1C(=O)Oc1cccc(C(=O)OCCCc2ccccc2)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)COc1ccc(Br)cc1C(=O)Oc1cccc(C(=O)OCCCc2ccccc2)c1",
    "ref_smiles": "CC(C)COc1ccc(S)cc1C(=O)Oc1cccc(C(=O)OCCCc2ccccc2)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "1243340d-fd80-4a32-9856-dfb6594667d1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCOc1ccc(Oc2ccc(Br)cc2C[NH3+])cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1ccc(Oc2ccc(Br)cc2C[NH3+])cc1",
    "ref_smiles": "CCCOc1ccc(Oc2ccc(S)cc2C[NH3+])cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "7ad5a764-a711-4110-bf1c-528bdb485542",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)NC(=O)Nc1ccc(C[NH+]2CCOCC2)c(Cl)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)NC(=O)Nc1ccc(C[NH+]2CCOCC2)c(Cl)c1",
    "ref_smiles": "CC(C)NC(=O)Nc1ccc(C[NH+]2CCOCC2)c(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "724bb8c8-066b-4e23-8f42-8cbce96ca062",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1(C)C2CC=C(CN(CC[NH+]3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)C(=O)Nc3ccc(Cl)c(Cl)c3)C1C2 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)C2CC=C(CN(CC[NH+]3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)C(=O)Nc3ccc(Cl)c(Cl)c3)C1C2",
    "ref_smiles": "CC(=O)c1ccc(NC(=O)N(CC[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC2=CCC3CC2C3(C)C)cc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "43235002-918b-41cc-84ae-0dc8c6b64ba9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3Sc3ccccc3)C2=O)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3Sc3ccccc3)C2=O)cc1",
    "ref_smiles": "CC(=O)c1ccc(N2C(=O)C(O)=C(Nc3ccccc3Sc3ccccc3)C2=O)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "eb2f4467-da09-42d2-8010-1383566fe1ac",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2cccc(C(F)(F)F)c2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2cccc(C(F)(F)F)c2)cc1",
    "ref_smiles": "CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2cccc(C(F)(F)C(=O)[OH])c2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "ca09e498-4b1a-4210-a51f-6786c9341ef9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])c1c(CCl)cccc1-c1ccccc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1c(CCl)cccc1-c1ccccc1",
    "ref_smiles": "O=C([O-])c1c(C)c([N+](=O)[O-])ccc1-c1ccccc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c08b5a0c-7d5f-48f9-bf0d-1f7589a1b7e0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#Cc1cccc(CC(NC(=O)c2cccc(F)c2)C(=O)[O-])c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1cccc(CC(NC(=O)c2cccc(F)c2)C(=O)[O-])c1",
    "ref_smiles": "N#Cc1cccc(CC(NC(=O)c2cccc(C(=O)[OH])c2)C(=O)[O-])c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "6a53ae08-299c-402e-b99b-7247c75cdc05",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Fc1cc2c(c(COc3ccccc3Br)c1)OCOC2 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1cc2c(c(COc3ccccc3Br)c1)OCOC2",
    "ref_smiles": "N#Cc1cc2c(c(COc3ccccc3Br)c1)OCOC2",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e4e9be30-b919-41b9-bf0c-64f32e01f9c8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Fc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(F)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(F)c1",
    "ref_smiles": "O=C([OH])c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(F)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "4aaf5e82-1012-415c-b672-cf549e064a04",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CCCN(C(=O)CNc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCCN(C(=O)CNc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1",
    "ref_smiles": "CC1CCCN(C(=O)CNc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)C(=O)OH)C1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f6b5add3-b292-4618-bc5e-c80f358fe921",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(O)c2c(c1)N(O)C(=O)CC2 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(O)c2c(c1)N(O)C(=O)CC2",
    "ref_smiles": "CC(=O)c1cc(C)cc2c1CCC(=O)N2O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "552a659f-33e3-4390-a364-b782b48631fb",
    "task": "sub",
    "question": "Modify the molecule CCOC(O)=Cc1cn(C)c2ccccc12 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(O)=Cc1cn(C)c2ccccc12",
    "ref_smiles": "CCOC(C#N)=Cc1cn(C)c2ccccc12",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f62e77fb-94e5-42e9-8b00-3e32e0fbf2d0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]C(CCC[NH2+]C1CCCc2cccnc21)Cc1nc2ccc(F)cc2[nH]1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C(CCC[NH2+]C1CCCc2cccnc21)Cc1nc2ccc(F)cc2[nH]1",
    "ref_smiles": "[NH3+]C(CCC[NH2+]C1CCCc2cccnc21)Cc1nc2ccc(O)cc2[nH]1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0ac5f619-5db1-4de9-b7fb-ef8ce31b33ac",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Clc1nc(Br)nc2c1cnn2C1CCC2(CC1)OCCO2 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1nc(Br)nc2c1cnn2C1CCC2(CC1)OCCO2",
    "ref_smiles": "O=C([OH])c1nc(Br)nc2c1cnn2C1CCC2(CC1)OCCO2",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "833c9d23-e3d4-4342-9f9b-915f6a2fce7f",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C(O)CCC(F)(F)F)sc1Cl by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(O)CCC(F)(F)F)sc1Cl",
    "ref_smiles": "Cc1cc(C(O)CCC(F)(F)S)sc1Cl",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "fddb12ee-c7d4-4d3c-bb71-e615d79660cd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C=Cc1cccc(Br)c1)Nc1ccc(C(C(=O)[O-])c2ccc3ocnc3c2)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=Cc1cccc(Br)c1)Nc1ccc(C(C(=O)[O-])c2ccc3ocnc3c2)cc1",
    "ref_smiles": "O=C(C=Cc1cccc(O)c1)Nc1ccc(C(C(=O)[O-])c2ccc3ocnc3c2)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0bfebad4-249f-4887-8c8f-e2691a0c9e12",
    "task": "sub",
    "question": "Modify the molecule O=C([O-])CCC1(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CCCC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CCC1(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CCCC1",
    "ref_smiles": "O=C([O-])CCC1(C(=O)c2ccc(-c3ccc(C(=O)[OH])cc3)cc2)CCCC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "532a7b84-fde2-4a08-b523-b499a7f7af81",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)c1c[nH+]c(Nc2cnccn2)cc1NC1CCc2cccc(F)c21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)c1c[nH+]c(Nc2cnccn2)cc1NC1CCc2cccc(F)c21",
    "ref_smiles": "CC(=O)c1cccc2c1C(Nc1cc(Nc3cnccn3)[nH+]cc1C(N)=O)CC2",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "0295bb35-b4e3-4061-9338-305612d06685",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC([NH+](C)CCCCC(C)(CO)[NH2+]C1CC1)C(C)(C)C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH+](C)CCCCC(C)(CO)[NH2+]C1CC1)C(C)(C)C",
    "ref_smiles": "CC([NH+](C)CCCCC(C)(CS)[NH2+]C1CC1)C(C)(C)C",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3ff3f9c7-1372-470c-a1ee-8116ccc0dcc3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCc1sc(C([NH3+])CSCCCO)nc1C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1sc(C([NH3+])CSCCCO)nc1C",
    "ref_smiles": "CCCc1sc(C([NH3+])CSCCCC(=O)O)nc1C",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "adbcd93f-91b1-42f7-83f4-8dd8c4388db5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(O)C[NH2+]CC=CCCl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(O)C[NH2+]CC=CCCl",
    "ref_smiles": "CCC(O)C[NH2+]CC=CCS",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "cb65a46e-c530-4eab-8a2c-ad7799bb65b7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)n1cnc(Cl)c1Br with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)n1cnc(Cl)c1Br",
    "ref_smiles": "CC(C)(C)n1cnc(C#N)c1Br",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "9ecc2a27-d38b-4e15-bdbb-244a0c887cc8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(Nc1ccc2c(c1)CCCO2)N1CCC(O)CC12CCC2 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc2c(c1)CCCO2)N1CCC(O)CC12CCC2",
    "ref_smiles": "N#CC1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C2(CCC2)C1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "268c02ac-fb8e-4556-ae4f-b883924dade1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCC(C)(C[NH3+])Cc1c(Cl)c(C)nn1C with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C)(C[NH3+])Cc1c(Cl)c(C)nn1C",
    "ref_smiles": "CCCC(C)(C[NH3+])Cc1c(O)c(C)nn1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "753b8632-491c-480f-992d-22f80e493eba",
    "task": "sub",
    "question": "Modify the molecule CCCCCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc(OC)cc1)c1ccc(O)cc1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc(OC)cc1)c1ccc(O)cc1",
    "ref_smiles": "CCCCCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc(OC)cc1)c1ccc(NO)cc1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "dd6c15bd-7110-4f5b-b573-5188face7e44",
    "task": "sub",
    "question": "Modify the molecule Cn1nccc1C1OCCC1C(=O)N1CCN(CC(F)(F)F)c2ccccc21 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1nccc1C1OCCC1C(=O)N1CCN(CC(F)(F)F)c2ccccc21",
    "ref_smiles": "Cn1nccc1C1OCCC1C(=O)N1CCN(CC(F)(F)S)c2ccccc21",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "199cf409-234d-4353-b49d-40036285b529",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(-c2csc3nc(Cl)nc(N4CCCCC4)c23)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-c2csc3nc(Cl)nc(N4CCCCC4)c23)cc1",
    "ref_smiles": "Cc1ccc(-c2csc3nc(O)nc(N4CCCCC4)c23)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "899a98e5-6ab6-4051-9ee0-396f877790dc",
    "task": "sub",
    "question": "Modify the molecule N#CCN1CCN(C(=O)C2CC3CCC2C3)CC1 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCN1CCN(C(=O)C2CC3CCC2C3)CC1",
    "ref_smiles": "ONCN1CCN(C(=O)C2CC3CCC2C3)CC1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "aac1e9af-49e3-4cfd-9764-a0bcd79fdf4d",
    "task": "sub",
    "question": "Please substitute a thiol in the molecule CC(C)CC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(CS)C(=O)[O-] with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(CS)C(=O)[O-]",
    "ref_smiles": "CC(C)CC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(CF)C(=O)[O-]",
    "add_group": "halo",
    "remove_group": "thiol"
  },
  {
    "id": "74c02f3b-f0a6-4436-9eab-e3be5cbdc384",
    "task": "sub",
    "question": "Modify the molecule CCC=Cc1nc2cc(F)ccc2cc1C(C)N1C(=O)c2ccccc2C1=O by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC=Cc1nc2cc(F)ccc2cc1C(C)N1C(=O)c2ccccc2C1=O",
    "ref_smiles": "CCC=Cc1nc2cc([N+](=O)[O-])ccc2cc1C(C)N1C(=O)c2ccccc2C1=O",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "ab3c28da-120b-4ef5-b8ff-1116462f8d87",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(C(O)=Cc1ccc(O)cc1)c1c(O)cc(O)cc1O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C(O)=Cc1ccc(O)cc1)c1c(O)cc(O)cc1O",
    "ref_smiles": "O=C(C(S)=Cc1ccc(O)cc1)c1c(O)cc(O)cc1O",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "56a7e28d-d0cb-433d-affe-71acc7b65675",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1([NH2+]NC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)CCS(=O)(=O)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1([NH2+]NC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)CCS(=O)(=O)C1",
    "ref_smiles": "CC1([NH2+]NC(=O)NCc2ccc(-c3ccc(C=O)cc3)o2)CCS(=O)(=O)C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "260997a1-1575-43c5-aa98-b639f04ade02",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC([NH+]2CCc3ccccc3C2)C1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC([NH+]2CCc3ccccc3C2)C1",
    "ref_smiles": "N#Cc1ccc(-c2cnn(CC(=O)N3CCC([NH+]4CCc5ccccc5C4)C3)c2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "10766830-92c6-4d58-bfbe-be1abe5d25be",
    "task": "sub",
    "question": "Modify the molecule O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ncc(Cl)cc1Cl by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ncc(Cl)cc1Cl",
    "ref_smiles": "O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(O)cc12)Nc1ncc(Cl)cc1Cl",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4b0fde73-ff8c-4bdb-8e08-f77ca9eceb35",
    "task": "sub",
    "question": "Modify the molecule O=c1[nH]c(=O)n(COC(CO)CO)cc1Br by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1[nH]c(=O)n(COC(CO)CO)cc1Br",
    "ref_smiles": "O=C([OH])c1cn(COC(CO)CO)c(=O)[nH]c1=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "4f2490fe-99f1-41e4-8866-26f947067d8e",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCOc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1Br with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1Br",
    "ref_smiles": "CCOc1ccc(C=C([N+](=O)[O-])C(=O)Nc2cccc3ccccc23)cc1Br",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "70b77689-8ceb-49b8-a266-e45539e15b7b",
    "task": "sub",
    "question": "Modify the molecule CC1C=C2CC3CC(C(=O)N4CCc5cc(F)ccc54)(C1)CC23 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1C=C2CC3CC(C(=O)N4CCc5cc(F)ccc54)(C1)CC23",
    "ref_smiles": "CC1C=C2CC3CC(C(=O)N4CCc5cc(S)ccc54)(C1)CC23",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "b852d192-1492-4606-ad9c-353dbfcb24d6",
    "task": "sub",
    "question": "Modify the molecule C[NH2+]C(Cc1cc(C)nn1C)c1ccc(Cl)o1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(Cc1cc(C)nn1C)c1ccc(Cl)o1",
    "ref_smiles": "C[NH2+]C(Cc1cc(C)nn1C)c1ccc(C(=O)[OH])o1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "84e3fdcc-0a56-44f6-89cc-3e093f1a09d1",
    "task": "sub",
    "question": "Modify the molecule CCCCOc1ccc(C[NH2+]CC(C)(O)CC(C)C)cc1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCOc1ccc(C[NH2+]CC(C)(O)CC(C)C)cc1",
    "ref_smiles": "CCCCOc1ccc(C[NH2+]CC(C)(S)CC(C)C)cc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c8279cad-4b37-460e-9e13-85cf01ce2a31",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C(=O)N(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2C)CC1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)N(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2C)CC1",
    "ref_smiles": "CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)N(C)C)cc4C)CC3)c2C)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "b5d97183-a292-4870-993f-05266a1d9e27",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)NCC(C)C)c2C)CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)NCC(C)C)c2C)CC1",
    "ref_smiles": "Cc1ccc(C(=O)Nc2ccc(C(=O)[OH])cc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)NCC(C)C)c2C)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "de9c3dc1-5ab4-41b2-9d3b-7846bb7945c3",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1C by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(O)c2ccc(Cl)c(Cl)c2)cc1C",
    "ref_smiles": "Cc1ccc(C(NO)c2ccc(Cl)c(Cl)c2)cc1C",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c8844ba4-055a-421a-b6c2-9c7d3c80c01f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2=S)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2=S)cc1",
    "ref_smiles": "Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3ccc(C#N)c(Cl)c3)c2=S)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "0727cb81-41cb-494c-be3b-f1c19596a351",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CCCC1NC(=O)C1CC(=O)N(C)C1c1cccc(Cl)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCCC1NC(=O)C1CC(=O)N(C)C1c1cccc(Cl)c1",
    "ref_smiles": "CC1CCCC1NC(=O)C1CC(=O)N(C)C1c1cccc(S)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "9d7f0024-1340-4401-9e22-5edcc306372a",
    "task": "sub",
    "question": "Modify the molecule COc1c(O)c(C[NH+]2CCN(CCOc3ccccc3)CC2)c2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(O)c(C[NH+]2CCN(CCOc3ccccc3)CC2)c2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O",
    "ref_smiles": "COc1c(O)c2c(c(C[NH+]3CCN(CCOc4ccccc4)CC3)c1S)C(=O)OC1C2OC(CO)C(O)C1O",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ea83075b-358e-4cd4-a6bf-f1b8eec2278b",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4ccc(F)c(C(F)(F)F)c4)nn23)cc1OC by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4ccc(F)c(C(F)(F)F)c4)nn23)cc1OC",
    "ref_smiles": "COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4ccc(C#N)c(C(F)(F)F)c4)nn23)cc1OC",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "4d026497-4072-4cc3-9e10-7f3db5b4d90f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(Cl)cc2Cl)C(C)C)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(Cl)cc2Cl)C(C)C)CC1",
    "ref_smiles": "Cc1ccc(C(=O)NCc2ccc(NO)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(Cl)cc2Cl)C(C)C)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "50bc811a-9a46-403b-ad0e-4c31403282b1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCc1ccccc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCc1ccccc1Cl",
    "ref_smiles": "COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCc1ccccc1NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "ce40fa3d-eaca-455e-b2ac-0586d8944b63",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl",
    "ref_smiles": "O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(S)cc2)ccc1Cl",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "576844af-a61a-4f0c-811a-309737423aa8",
    "task": "sub",
    "question": "Modify the molecule N#CC1CCC(CC=O)CC1 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC1CCC(CC=O)CC1",
    "ref_smiles": "ONC1CCC(CC=O)CC1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "ef151fec-fefc-43d6-b172-77c52c77f99f",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c(F)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c(F)c1",
    "ref_smiles": "COc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)NO)[nH]c3c2)c(F)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "bddfd7e6-9d3d-473c-914f-269d410de68a",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C(O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(C)c1",
    "ref_smiles": "Cc1ccc(C(C#N)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(C)c1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "05fd012c-cebc-4923-9b61-ea5fd07fa315",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(O)c(OCC)c2)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(O)c(OCC)c2)cc1",
    "ref_smiles": "CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(CHO)c(OCC)c2)cc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7667bdda-fbfd-44bf-a505-47cc464ae2a9",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CN1C(=O)CCC1(O)CC#C[Si](C)(C)C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1C(=O)CCC1(O)CC#C[Si](C)(C)C",
    "ref_smiles": "CN1C(=O)CCC1(S)CC#C[Si](C)(C)C",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "82fa93c1-a1d2-44b9-8aa9-5b544d94b7d8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)(C)c1cc(C(=O)[O-])cc(NCCOCCO)n1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1cc(C(=O)[O-])cc(NCCOCCO)n1",
    "ref_smiles": "CC(C)(C)c1cc(C(=O)[O-])cc(NCCOCCCl)n1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "85a1e6b4-3bcf-4d72-a897-2b5dffe39c97",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CCCN(c2ncccn2)CC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CCCN(c2ncccn2)CC1",
    "ref_smiles": "O=C(c1cc(Cc2n[nH]c(=O)n3c(O)c(Cl)nc23)ccc1F)N1CCCN(c2ncccn2)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "dfc23a69-7d38-447d-9aad-0d5881385c8d",
    "task": "sub",
    "question": "Modify the molecule CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br",
    "ref_smiles": "CC(=O)c1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)ccc1OCC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "da8618aa-e598-430d-8196-7ff0e832f740",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I",
    "ref_smiles": "CCCCCCC(=O)Nc1c(S)c(NC(C)=O)c(I)c(C(=O)[O-])c1I",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "10227d6d-5afb-4199-b535-48bb954d45c3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(NCC(O)COc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)c(N2CCOCC2)s1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCC(O)COc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)c(N2CCOCC2)s1",
    "ref_smiles": "N#CC(CNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)COc1ccc2c(c1)OCO2",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f6438a35-2d6c-4383-ad57-f406d945de3b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(Cl)c2c(O)csc12 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(Cl)c2c(O)csc12",
    "ref_smiles": "COc1ccc(C(=O)[OH])c2c(O)csc12",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "74d70588-3370-4bb2-bc05-65f8834e7112",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1c(F)cc(F)cc1CNc1nc(Nc2cnn(CC(=O)NC3CC3)c2)ncc1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(F)cc(F)cc1CNc1nc(Nc2cnn(CC(=O)NC3CC3)c2)ncc1C",
    "ref_smiles": "CC(=O)c1cc(F)cc(CNc2nc(Nc3cnn(CC(=O)NC4CC4)c3)ncc2C)c1OC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c15a4167-80c0-44be-b37c-12b3d83fe132",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cn1c(C(=O)NCC2(O)CCSCC2)cc2ccccc21 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1c(C(=O)NCC2(O)CCSCC2)cc2ccccc21",
    "ref_smiles": "Cn1c(C(=O)NCC2(S)CCSCC2)cc2ccccc21",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5723baa8-5c91-4b50-b810-8a7e831eb529",
    "task": "sub",
    "question": "Modify the molecule C=C(C)c1c(C)c(F)c2ccc(Br)cc2c1OC(=O)OC(C)(C)C by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(C)c1c(C)c(F)c2ccc(Br)cc2c1OC(=O)OC(C)(C)C",
    "ref_smiles": "C=C(C)c1c(C)c(C#N)c2ccc(Br)cc2c1OC(=O)OC(C)(C)C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "33349736-7c9c-41ed-b265-680e254d6296",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN1c2nc(C3=CCC(NC(=O)c4ccon4)CC3)ccc2N(CC2CC2(F)F)S1(O)O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1c2nc(C3=CCC(NC(=O)c4ccon4)CC3)ccc2N(CC2CC2(F)F)S1(O)O",
    "ref_smiles": "CN1c2nc(C3=CCC(NC(=O)c4ccon4)CC3)ccc2N(CC2CC2(F)NO2)S1(O)O",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f3b69d3f-e6c1-46f6-8502-9f971c7245b3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NCC(C)C)ccc3Cl)CC2)C(C)C)cccc1C(=O)NC1CCCCC1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NCC(C)C)ccc3Cl)CC2)C(C)C)cccc1C(=O)NC1CCCCC1C",
    "ref_smiles": "Cc1c(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NCC(C)C)ccc3NO)CC2)C(C)C)cccc1C(=O)NC1CCCCC1C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c962db42-fb4a-4301-adb1-c4eccb0742a8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCc1cc(NC)nc(-c2ccc(Cl)c(F)c2)n1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1cc(NC)nc(-c2ccc(Cl)c(F)c2)n1",
    "ref_smiles": "CCCc1cc(NC)nc(-c2ccc(S)c(F)c2)n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "eae63118-9cfb-41a9-aff8-96474b750322",
    "task": "sub",
    "question": "Modify the molecule Cn1cc(C(=O)N2CCCC2COc2ccc(C(F)F)cc2Cl)c(C(F)F)n1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1cc(C(=O)N2CCCC2COc2ccc(C(F)F)cc2Cl)c(C(F)F)n1",
    "ref_smiles": "Cn1cc(C(=O)N2CCCC2OCHOc2ccc(C(F)F)cc2)c(C(F)F)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e5e2f33a-5e4c-4d60-8c9b-263a387fd39a",
    "task": "sub",
    "question": "Modify the molecule O=C(CC1(O)CCCC1)NC1CCCN(c2ccccc2F)C1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CC1(O)CCCC1)NC1CCCN(c2ccccc2F)C1",
    "ref_smiles": "O=C(CC1(O)CCCC1)NC1CCCN(c2ccc([N+](=O)[O-])cc2)C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "60699471-4115-4416-b80c-a49a34cf7a96",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1cccc(C(O)CN(Cc2ccccc2)OC)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(C(O)CN(Cc2ccccc2)OC)c1",
    "ref_smiles": "COc1cccc(C(S)CN(Cc2ccccc2)OC)c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d2d49191-ff99-4e7b-8618-a828dc813a9b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CN(C(=O)C1=CC2OCOC2C(OC(=O)c2cccc(C=CC(=O)OC3C(=O)OCC3(C)C)c2)C1)C(Cc1ccccc1)C(=O)NC(CO)CCC(=O)OC(C)(C)C with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C(=O)C1=CC2OCOC2C(OC(=O)c2cccc(C=CC(=O)OC3C(=O)OCC3(C)C)c2)C1)C(Cc1ccccc1)C(=O)NC(CO)CCC(=O)OC(C)(C)C",
    "ref_smiles": "CN(C(=O)C1=CC2OCOC2C(OC(=O)c2cccc(C=CC(=O)OC3C(=O)OCC3(C)C)c2)C1)C(Cc1ccccc1)C(=O)NC(CBr)CCC(=O)OC(C)(C)C",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "8a75ab92-d150-47d6-83da-ed1da8927c32",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nc(I)cc2cnccc12 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(I)cc2cnccc12",
    "ref_smiles": "Cc1nc(C#N)cc2cnccc12",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "5d00508d-8cfe-40dd-9bfc-e47026cf9538",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1",
    "ref_smiles": "CC([NH2+]Cc1ccc(O)c(Cl)c1)c1ccc(F)c(Br)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "24a064a2-7b4b-48c1-bd98-acbe0c67f26a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(NC(=O)C(=O)C(CC(F)(F)F)N(C=O)OC(C)(C)C)c1ccccc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(NC(=O)C(=O)C(CC(F)(F)F)N(C=O)OC(C)(C)C)c1ccccc1",
    "ref_smiles": "CCC(NC(=O)C(=O)C(CC(F)(F)NO)N(C=O)OC(C)(C)C)c1ccccc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "25c8f88e-03b7-4eeb-8b10-8f72615c30ec",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CC(O)c1sc(C)nc1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(O)c1sc(C)nc1C",
    "ref_smiles": "C=CC([N+](=O)[O-])c1sc(C)nc1C",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "939f971d-e9d0-4c00-99b8-3c4f12f8e8ea",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH+](CC)CCCC(C)=Nc1ccc(OC)c(Cl)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CC)CCCC(C)=Nc1ccc(OC)c(Cl)c1",
    "ref_smiles": "CC[NH+](CC)CCCC(C)=Nc1ccc(OC)c(O)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bf217b3d-820d-4c2d-8532-c998e57341b0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cncc(N(Cc2ccc(F)cc2)C(=O)C2CCN(C(=O)N(C)C)CC2)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cncc(N(Cc2ccc(F)cc2)C(=O)C2CCN(C(=O)N(C)C)CC2)c1",
    "ref_smiles": "Cc1cncc(N(Cc2ccc(S)cc2)C(=O)C2CCN(C(=O)N(C)C)CC2)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "7507cf46-3850-4d47-b403-8d0e2245408b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OC(C[NH2+]C1CCCC1C1COCC[NH2+]1)c1cc(Cl)c2c(c1)OCCO2 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC(C[NH2+]C1CCCC1C1COCC[NH2+]1)c1cc(Cl)c2c(c1)OCCO2",
    "ref_smiles": "N#CC(C[NH2+]C1CCCC1C1COCC[NH2+]1)c1cc(Cl)c2c(c1)OCCO2",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "76870a3d-c878-4c44-a9f0-6f3f42f6268e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1ccc(OC(CCn2nnc3ccccc32)c2ccccc2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1ccc(OC(CCn2nnc3ccccc32)c2ccccc2)cc1",
    "ref_smiles": "N#CC(F)(F)c1ccc(OC(CCn2nnc3ccccc32)c2ccccc2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "1a4b638e-80c5-45f3-8881-806ef07d2b21",
    "task": "sub",
    "question": "Modify the molecule CC(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)ccc1C by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)ccc1C",
    "ref_smiles": "CC(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3)CC2)ccc1C=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "fa413473-ec0f-49f2-a9cd-fe488847372a",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C(=N)c2ccc(Br)cc2)cc1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=N)c2ccc(Br)cc2)cc1",
    "ref_smiles": "COc1ccc(C(=N)c2ccc(S)cc2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "2a981a93-d547-4858-9fa9-09eb0dbc9629",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC1CCCC(C[NH3+])(C2(O)CCOC2)C1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCCC(C[NH3+])(C2(O)CCOC2)C1",
    "ref_smiles": "CCC1CCCC(C[NH3+])(C2(Cl)CCOC2)C1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1f28a655-56df-46f8-95e8-523f041a81be",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)C1C2C(=C(C)C[NH+]1C)C(=O)CC(=O)c1cc(Cl)c(Cl)cc12 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)C1C2C(=C(C)C[NH+]1C)C(=O)CC(=O)c1cc(Cl)c(Cl)cc12",
    "ref_smiles": "COC(=O)C1C2C(=C(C)C[NH+]1C)C(=O)CC(=O)c1cc(C#N)c(Cl)cc12",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "478cbbec-63ec-4dee-a741-a457ec73e342",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(N)n(Cc2ccc(Cl)cc2Br)n1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(N)n(Cc2ccc(Cl)cc2Br)n1",
    "ref_smiles": "Cc1cc(N)n(Cc2ccc(NO)cc2Br)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "43a99938-3c22-45a4-902d-7af06fb2b980",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]C(CCC#N)c1ccc(Cl)c(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(CCC#N)c1ccc(Cl)c(Cl)c1",
    "ref_smiles": "CC(=O)c1ccc(C(CCC#N)[NH2+]C)cc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "9c56d350-60d4-4950-8fcd-a0a46212f03a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCC(C)C1CCC(C(=NN=Cc2ccc(F)c(F)c2)c2ccccc2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C)C1CCC(C(=NN=Cc2ccc(F)c(F)c2)c2ccccc2)CC1",
    "ref_smiles": "CCCC(C)C1CCC(C(=NN=Cc2ccc(C=O)cc2)c2ccccc2)CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "72a6dffe-6b66-4f5c-a4f2-628d126c281e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1c(C)cnc(Cn2cc(S(=O)(=O)Cl)[nH+]c2C)c1C with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(C)cnc(Cn2cc(S(=O)(=O)Cl)[nH+]c2C)c1C",
    "ref_smiles": "COc1c(C)cnc(Cn2cc(S(=O)(=O)O)[nH+]c2C)c1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "da49e6c3-759a-4208-8f71-37f47531df80",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)N(CCNC(=O)CCc1ccccc1)c1ccc(F)c(Cl)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)N(CCNC(=O)CCc1ccccc1)c1ccc(F)c(Cl)c1",
    "ref_smiles": "CC(=O)N(CCNC(=O)CCc1ccccc1)c1ccc(S)c(Cl)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "228a9892-9cad-4964-a4ae-4e4f0cd99dd4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ncccc1NC(=O)c1ccnc(N)c1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ncccc1NC(=O)c1ccnc(N)c1F",
    "ref_smiles": "CC(=O)c1c(C(=O)Nc2cccnc2C)ccnc1N",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ed5fae55-7b6f-46f1-8d77-01c607e07539",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1C",
    "ref_smiles": "CC(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ead7e92e-2e41-4ea3-88a5-309fead20d3e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(C)nc(CBr)c1C(F)F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C)nc(CBr)c1C(F)F",
    "ref_smiles": "CC(=O)Cc1nc(C)cc(OC)c1C(F)F",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "2c502c61-276b-4290-8419-b44c5451f90f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccc(-n2c(O)cc(Sc3ccccc3C(=O)[O-])c2O)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-n2c(O)cc(Sc3ccccc3C(=O)[O-])c2O)cc1",
    "ref_smiles": "Cc1ccc(-n2c(F)cc(Sc3ccccc3C(=O)[O-])c2O)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e3e2c1fa-bcd6-4481-88f8-6e106706ae9a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC[NH+](Cc1ccccc1)Cc1cc(O)c2c(c1F)CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C3(O)C(=O)C1=C2[O-] with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH+](Cc1ccccc1)Cc1cc(O)c2c(c1F)CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C3(O)C(=O)C1=C2[O-]",
    "ref_smiles": "CCC[NH+](Cc1ccccc1)Cc1cc(O)c2c(c1NO)CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C3(O)C(=O)C1=C2[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "078fb56a-8f70-4f06-9a64-a95f5ac607c6",
    "task": "sub",
    "question": "Modify the molecule C=C(CC)C[NH+]1CCCC(O)C1C by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(CC)C[NH+]1CCCC(O)C1C",
    "ref_smiles": "C=C(CC)C[NH+]1CCCC(S)C1C",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1f56bfeb-bc63-4d82-8783-f669c15f89f4",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=O)C(O)C(O)C(O)(C(C)=O)C(O)(C(C)=O)C(O)(C(C)=O)C(=O)C(=O)c1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)C(O)C(O)C(O)(C(C)=O)C(O)(C(C)=O)C(O)(C(C)=O)C(=O)C(=O)c1ccccc1",
    "ref_smiles": "CC(=O)C(S)C(O)C(O)(C(C)=O)C(O)(C(C)=O)C(O)(C(C)=O)C(=O)C(=O)c1ccccc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3217842c-206c-4267-bc37-0489a3c27c21",
    "task": "sub",
    "question": "Modify the molecule Cc1ncn(-c2cc(Cl)c(C(=O)NCC(c3cccc(F)c3)c3nc4c([nH]c3=O)CC(C)C=C4)c(Cl)c2)n1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ncn(-c2cc(Cl)c(C(=O)NCC(c3cccc(F)c3)c3nc4c([nH]c3=O)CC(C)C=C4)c(Cl)c2)n1",
    "ref_smiles": "Cc1ncn(-c2cc(O)c(C(=O)NCC(c3cccc(F)c3)c3nc4c([nH]c3=O)CC(C)C=C4)c(Cl)c2)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "ff8cfec5-e3d4-4435-a634-0319b8dead2b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1nc(Nc2cc(Cl)c(-c3ccc(OCC4CCC[NH2+]4)cc3)c(Cl)c2)n[nH]1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1nc(Nc2cc(Cl)c(-c3ccc(OCC4CCC[NH2+]4)cc3)c(Cl)c2)n[nH]1",
    "ref_smiles": "Nc1nc(Nc2cc(C=O)c(-c3ccc(OCC4CCC[NH2+]4)cc3)ccc2)n[nH]1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "445c6a61-ef40-4979-8400-b386aa47d506",
    "task": "sub",
    "question": "Modify the molecule Cc1oc2ccc(O)cc2c1-c1ccc(O)cc1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1oc2ccc(O)cc2c1-c1ccc(O)cc1",
    "ref_smiles": "Cc1oc2ccc(C(=O)O)cc2c1-c1ccc(O)cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6ad18f45-c08b-46b0-92fa-651ebe0dabc7",
    "task": "sub",
    "question": "Modify the molecule COc1ncnc(OC)c1-n1c(CC2CCCC2)nnc1NS(=O)(=O)C(C)C(OC)c1ncc(Cl)cn1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ncnc(OC)c1-n1c(CC2CCCC2)nnc1NS(=O)(=O)C(C)C(OC)c1ncc(Cl)cn1",
    "ref_smiles": "COc1ncnc(OC)c1-n1c(CC2CCCC2)nnc1NS(=O)(=O)C(C)C(OC)c1ncc(C(=O)[OH])cn1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "6477f3e2-e7be-4dd4-8a2f-a4e599fe7f2b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1nc2cc(OCC(O)C[NH+]3CCN(Cc4nc(-c5cccs5)no4)CC3C)ccc2s1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc2cc(OCC(O)C[NH+]3CCN(Cc4nc(-c5cccs5)no4)CC3C)ccc2s1",
    "ref_smiles": "CC(=O)C(COc1ccc2sc(C)nc2c1)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "640351d9-6ca4-4ec7-8915-8a55f4e7688a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4ccccc4C(N)=O)CC3)c(C)c2)cc1F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4ccccc4C(N)=O)CC3)c(C)c2)cc1F",
    "ref_smiles": "Cc1cc(C(=O)Nc2ccc(C)c(C(=O)[OH])c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccccc2C(N)=O)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "16081792-8a10-47a3-b692-9bd5d20883c6",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC",
    "ref_smiles": "CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC(C#N)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4ec7c04b-4ff0-4aee-a917-ae85bb3e49d5",
    "task": "sub",
    "question": "Modify the molecule OC(Cc1sccc1Br)c1cc2ccc(F)cc2s1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC(Cc1sccc1Br)c1cc2ccc(F)cc2s1",
    "ref_smiles": "N#CC(Cc1sccc1Br)c1cc2ccc(F)cc2s1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "03cf258b-c4e2-412b-9a77-75236f705a1d",
    "task": "sub",
    "question": "Modify the molecule [NH3+]CCCc1nnc(-c2cc(F)cc(F)c2)o1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CCCc1nnc(-c2cc(F)cc(F)c2)o1",
    "ref_smiles": "[NH3+]CCCc1nnc(-c2cc(O)cc(F)c2)o1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "965a421e-b2bf-4fa6-b5a3-676712e9da6e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=O)N1CCC([NH2+]C2CC(O)C(CO)C2Cc2ccnc(C3CC3)n2)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)N1CCC([NH2+]C2CC(O)C(CO)C2Cc2ccnc(C3CC3)n2)CC1",
    "ref_smiles": "CC(=O)N1CCC([NH2+]C2CC(C#N)C(CO)C2Cc2ccnc(C3CC3)n2)CC1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f1f36bd1-6e9d-4b95-8112-90739d6bc66d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C=Cc1cccs1)NCC(F)(F)CO with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=Cc1cccs1)NCC(F)(F)CO",
    "ref_smiles": "O=C(C=Cc1cccs1)NCC(F)(S)CO",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "51e2f2f9-4bd9-46b2-a0f8-6becdcc8b525",
    "task": "sub",
    "question": "Modify the molecule CC(O)CCC(=O)N1CCC(C)CC1C by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)CCC(=O)N1CCC(C)CC1C",
    "ref_smiles": "CC(S)CCC(=O)N1CCC(C)CC1C",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "99052bdc-c4ca-4cb0-9e1f-5deb3284d2c3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)(C)NC(N)=[NH+]C(CO)CO with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)NC(N)=[NH+]C(CO)CO",
    "ref_smiles": "CC(=O)CC(CO)[NH+]=C(N)NC(C)(C)C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5c78cf46-827b-436b-9d2d-4881b3942bad",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)c1ccc(-n2cc(CCCO)nn2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1ccc(-n2cc(CCCO)nn2)cc1",
    "ref_smiles": "CC(C)c1ccc(-n2cc(CCCC(=O)OH)nn2)cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "55f9f139-bd5a-4904-82db-00a6fade0273",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1COC(CO)CN1C(=O)c1ccnc(C[NH3+])c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1COC(CO)CN1C(=O)c1ccnc(C[NH3+])c1",
    "ref_smiles": "CC1COC(CS)CN1C(=O)c1ccnc(C[NH3+])c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "872a7f84-c62e-4136-8990-cb86e42e7aa4",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOc1cc(O)ccc1C(=C(Cl)Cl)c1ccc(O)cc1OCC with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1cc(O)ccc1C(=C(Cl)Cl)c1ccc(O)cc1OCC",
    "ref_smiles": "CCOc1cc(O)ccc1C(=C(Cl)Cl)c1ccc(S)cc1OCC",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6f6bf6f4-83dd-41b6-9e0f-330662c4faf5",
    "task": "sub",
    "question": "Modify the molecule CC(O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-] by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]",
    "ref_smiles": "CC(C(=O)O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "498fcbcc-12e9-4f76-be7e-c1edfa818d7f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Ic1ccc(-n2cncc2C2C[NH2+]CCO2)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Ic1ccc(-n2cncc2C2C[NH2+]CCO2)cc1",
    "ref_smiles": "Sc1ccc(-n2cncc2C2C[NH2+]CCO2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "9fc68d5b-005c-46ea-b465-e65945130769",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(CCS(C)=O)n1c(=S)[nH]c2cc(F)c(Br)cc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CCS(C)=O)n1c(=S)[nH]c2cc(F)c(Br)cc21",
    "ref_smiles": "CC(CCS(C)=O)n1c(=S)[nH]c2cc(C#N)c(Br)cc21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e54c1ae1-1f07-4e6e-8321-1a638857b952",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(-n2c(C(Sc3ccc(Cl)cc3)c3cc(F)ccc3F)nc3ccccc32)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(-n2c(C(Sc3ccc(Cl)cc3)c3cc(F)ccc3F)nc3ccccc32)cc1",
    "ref_smiles": "COc1ccc(-n2c(C(Sc3ccc(O)cc3)c3cc(F)ccc3F)nc3ccccc32)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "a8735887-2285-4cc3-8d60-27682a86aabe",
    "task": "sub",
    "question": "Modify the molecule Cc1nc(SCCC=C(F)F)oc1C(=O)NS(C)(=O)=O by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(SCCC=C(F)F)oc1C(=O)NS(C)(=O)=O",
    "ref_smiles": "Cc1nc(SCCC=C(F)S)oc1C(=O)NS(C)(=O)=O",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "d54b2f3b-0526-4854-b917-f4584b76976c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)c1nnc(CNc2ccc(C(=O)NCCCO)cc2)o1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1nnc(CNc2ccc(C(=O)NCCCO)cc2)o1",
    "ref_smiles": "CC(C)c1nnc(CNc2ccc(C(=O)NCCCS)cc2)o1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3a246229-fd94-4ce7-ba2d-03797419ad9b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH2+]C(Cc1cccc(OC)c1F)c1ncc[nH]1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(Cc1cccc(OC)c1F)c1ncc[nH]1",
    "ref_smiles": "CC[NH2+]C(Cc1cccc(OC)c1O)c1ncc[nH]1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "eeb840ff-f60f-45b8-9c50-9a81186e9fee",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc2oc(-c3ccncc3Br)nc2c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc2oc(-c3ccncc3Br)nc2c1",
    "ref_smiles": "Cc1ccc2oc(-c3ccncc3C#N)nc2c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "bc6cb0da-7342-4b3d-b15c-c0bd82d2ad7f",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CCN(C)C(=O)CNc1nc(N)nc(C)c1[N+](=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(C)C(=O)CNc1nc(N)nc(C)c1[N+](=O)[O-]",
    "ref_smiles": "CCN(C)C(=O)CNc1nc(N)nc(C)c1[SH]=O",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "a6d8d0fb-91c2-46c7-8e90-f82b1e05ddb8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1cc(Nc2cc(NC3CCCC3)ncn2)ccc1Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1cc(Nc2cc(NC3CCCC3)ncn2)ccc1Cl",
    "ref_smiles": "CC(=O)C(F)(F)c1cc(Nc2cc(NC3CCCC3)ncn2)ccc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a7e82806-14fc-402e-b138-23fa9294af1d",
    "task": "sub",
    "question": "Modify the molecule CC(=O)c1ccc(O)c(CSc2ccccc2C)c1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(O)c(CSc2ccccc2C)c1",
    "ref_smiles": "CC(=O)c1ccc([N+](=O)[O-])c(CSc2ccccc2C)c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bc60d757-2dd0-440e-94d6-a8fb5e80a7b6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(-c2nnc3ccc(C(=O)[O-])cn23)c1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(-c2nnc3ccc(C(=O)[O-])cn23)c1Cl",
    "ref_smiles": "Cc1cccc(-c2nnc3ccc(C(=O)[O-])cn23)c1NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6ddef6d3-f1ef-406a-8a80-3478a601fd77",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC=C(C#CCN1CCS(=O)CC1)[NH+]=C1C(=C(C)C)[NH2+]CCN1Cc1c(C)ccc(F)c1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC=C(C#CCN1CCS(=O)CC1)[NH+]=C1C(=C(C)C)[NH2+]CCN1Cc1c(C)ccc(F)c1O",
    "ref_smiles": "CC(=O)c1ccc(C)c(CN2CC[NH2+]C(=C(C)C)C2=[NH+]C(C#CCN2CCS(=O)CC2)=CC)c1O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "d98c5035-59d7-4dc4-8895-343521a30453",
    "task": "sub",
    "question": "Modify the molecule COC(=O)C1(c2ccc(O)c(C(C)=N)c2)CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)C1(c2ccc(O)c(C(C)=N)c2)CC1",
    "ref_smiles": "COC(=O)C1(c2ccc(C(=O)[OH])c(C(C)=N)c2)CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "708d707e-fe5a-42d0-ba3e-4516d8440479",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCS(=O)(=O)NC(C)C(=O)NCC1(c2ccc(F)cc2)CCCC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCS(=O)(=O)NC(C)C(=O)NCC1(c2ccc(F)cc2)CCCC1",
    "ref_smiles": "CC(=O)c1ccc(C2(CNC(=O)C(C)NS(=O)(=O)CCC)CCCC2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "6ad80b6d-dba7-42f2-a723-088f6b5c02d3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)c1ccc(Sc2nnnn2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(Sc2nnnn2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1",
    "ref_smiles": "CC(=O)c1ccc(Sc2nnnn2-c2ccc(C(=O)[OH])cc2)c([N+](=O)[O-])c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "84ec88d3-f193-44d5-8921-86fa08dad9d4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CCOC1C(NN)c1ccncc1F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCOC1C(NN)c1ccncc1F",
    "ref_smiles": "CC1CCOC1C(NN)c1ccncc1NO2",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "52b64480-e4d3-4ec6-9286-b84087cd0adc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]Cc1csc(-c2ccc(Cl)cc2Cl)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]Cc1csc(-c2ccc(Cl)cc2Cl)c1",
    "ref_smiles": "C[NH2+]Cc1csc(-c2ccc(C#N)cc2Cl)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "8c8e1028-7883-4d4b-b3ef-5d1ab57ea580",
    "task": "sub",
    "question": "Modify the molecule CCCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1",
    "ref_smiles": "CCCCNC(=O)C(C)N(Cc1cccc(C#N)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "64b56cee-d169-4de7-8146-a85be3a7c56e",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1ccc(N)cc1B(O)O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc(N)cc1B(O)O",
    "ref_smiles": "Nc1ccc(S)c(B(O)O)c1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "e6eff6f8-5243-4f89-bb59-a0a332337b57",
    "task": "sub",
    "question": "Modify the molecule C=CC(=O)N1CCC(Nc2cnc3ncc(C(=O)NCC4(O)CCCC4)c-3[nH]2)CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(=O)N1CCC(Nc2cnc3ncc(C(=O)NCC4(O)CCCC4)c-3[nH]2)CC1",
    "ref_smiles": "C=CC(=O)N1CCC(Nc2cnc3ncc(C(=O)NCC4(C(=O)O)CCCC4)c-3[nH]2)CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f3f4032a-bf4c-4ec1-aa63-93194bcc46cd",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(S(=O)(=O)NC2(C)CCC2)c(Br)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(S(=O)(=O)NC2(C)CCC2)c(Br)c1",
    "ref_smiles": "Cc1ccc(S(=O)(=O)NC2(C)CCC2)c(NO)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "a4abf303-b3a9-4391-bc83-89dceef46402",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C(NN)c2cnnn2C)cc1F by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(NN)c2cnnn2C)cc1F",
    "ref_smiles": "COc1ccc(C(NN)c2cnnn2C)cc1[N+](=O)[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "cdb75668-14a3-4902-9dfa-d76a56d92990",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccc(C2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(N3CCC(C)CC3)cc2)cc1OC with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(N3CCC(C)CC3)cc2)cc1OC",
    "ref_smiles": "COc1ccc(C2C(c3ccc(Cl)cc3)=C(S)C(=O)N2c2ccc(N3CCC(C)CC3)cc2)cc1OC",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9a3743da-e6b0-4e33-b30f-5a94587e4140",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCC(C)CS(=O)(=O)c1ccccc1F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C)CS(=O)(=O)c1ccccc1F",
    "ref_smiles": "CCCC(C)CS(=O)(=O)c1ccccc1[N+](=O)[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5afa15b8-b973-454c-a5e0-44a8a6580587",
    "task": "sub",
    "question": "Modify the molecule Cc1c(C(=O)N(C)C2CCCC(O)C2O)nnn1-c1ccccc1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(C(=O)N(C)C2CCCC(O)C2O)nnn1-c1ccccc1",
    "ref_smiles": "Cc1c(C(=O)N(C)C2CCCC(S)C2O)nnn1-c1ccccc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "fb16c6b8-cac7-4e40-89e9-74460b8401c0",
    "task": "sub",
    "question": "Modify the molecule OC1COc2c(Cl)cc(F)cc2C1[NH+]1CCCCCC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC1COc2c(Cl)cc(F)cc2C1[NH+]1CCCCCC1",
    "ref_smiles": "O=C([OH])C1COc2c(Cl)cc(F)cc2C1[NH+]1CCCCCC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0b559f73-7930-4941-baf4-34257a0a89a0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C)c(NC(=O)C=Cc2c(Cl)nc3ccccn23)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C)c(NC(=O)C=Cc2c(Cl)nc3ccccn23)c1",
    "ref_smiles": "CC(=O)c1nc2ccccn2c1C=CC(=O)Nc1cc(C)ccc1C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8e7687e6-4791-43df-8181-ae6809272f92",
    "task": "sub",
    "question": "Modify the molecule C[NH2+]CC(=O)NC1CCN(c2ccccc2Br)C1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]CC(=O)NC1CCN(c2ccccc2Br)C1",
    "ref_smiles": "C[NH2+]CC(=O)NC1CCN(c2ccccc2O)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "df3ba268-2a06-49b9-b9e2-18666f5ffdb5",
    "task": "sub",
    "question": "Modify the molecule CC(=O)NC(C)C(=O)NC(C)C(=O)NCCS by substituting a thiol with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)NC(C)C(=O)NC(C)C(=O)NCCS",
    "ref_smiles": "CC(=O)CCNC(=O)C(C)NC(=O)C(C)NC(C)=O",
    "add_group": "aldehyde",
    "remove_group": "thiol"
  },
  {
    "id": "32785635-e8db-4d29-a3e5-bda398aeeeaa",
    "task": "sub",
    "question": "Modify the molecule CCOCC1CCN(C(=O)Cc2ccc(O)c(F)c2)C1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOCC1CCN(C(=O)Cc2ccc(O)c(F)c2)C1",
    "ref_smiles": "CCOCC1CCN(C(=O)Cc2ccc(C(=O)[OH])c(F)c2)C1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6796ccbf-6ce2-412e-9748-2195146fd373",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)Cc1cc(C)nc2ccc(Cl)cc12 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cc1cc(C)nc2ccc(Cl)cc12",
    "ref_smiles": "COC(=O)Cc1cc(C)nc2ccc(S)cc12",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "c23907fa-95aa-49d1-b052-46f290fa454b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CC1)Nc1ccc(Cl)c(C(=O)N2CCOCC2)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CC1)Nc1ccc(Cl)c(C(=O)N2CCOCC2)c1",
    "ref_smiles": "O=C(C[NH+]1CCC(C(=O)Nc2ccc(C=O)cc2C(=O)N2CCCC2)CC1)Nc1cccc(C(=O)N2CCOCC2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "7403a0bf-0075-48ab-a557-676c86bd9371",
    "task": "sub",
    "question": "Modify the molecule CC(=O)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(O)CS(=O)(=O)C(C)C by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(O)CS(=O)(=O)C(C)C",
    "ref_smiles": "CC(=O)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(Br)CS(=O)(=O)C(C)C",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "20318f18-29d6-4ed9-9f95-d4d6ec990aeb",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)OC(=O)NCc1cc2cc(BOC(C)(C)C(C)(C)P)cc(C(F)(F)F)c2o1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)NCc1cc2cc(BOC(C)(C)C(C)(C)P)cc(C(F)(F)F)c2o1",
    "ref_smiles": "CC(=O)C(F)(F)c1cc(BOC(C)(C)C(C)(C)P)cc2cc(CNC(=O)OC(C)(C)C)oc12",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c8910e59-4ffe-4b1d-bb49-9213c4bdd3bb",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OCc1c(C(F)(F)F)sc2ccc(Cl)cc12 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCc1c(C(F)(F)F)sc2ccc(Cl)cc12",
    "ref_smiles": "CC(=O)Cc1c(C(F)(F)F)sc2ccc(Cl)cc12",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cdb31a83-21a0-4aaa-bdc9-703a0b8f4a79",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCn1cc(Br)cc1C(=O)Nc1cnc(Cl)c(Br)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCn1cc(Br)cc1C(=O)Nc1cnc(Cl)c(Br)c1",
    "ref_smiles": "CCCn1cc(C#N)cc1C(=O)Nc1cnc(Cl)c(Br)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "f3d10385-7595-43e7-b8dd-34eca996f3ad",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc2c(NC(C)C)nc(-c3ccccc3O)nc2c1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc2c(NC(C)C)nc(-c3ccccc3O)nc2c1",
    "ref_smiles": "Cc1ccc2c(NC(C)C)nc(-c3ccccc3Br)nc2c1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "adaec430-a912-40fb-baef-ace11f5c0dec",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(F)cc1C(NN)c1cc(Br)sc1Br by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(F)cc1C(NN)c1cc(Br)sc1Br",
    "ref_smiles": "Cc1ccc(NO)cc1C(NN)c1cc(Br)sc1Br",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "4009eac8-3938-46ca-8592-68a595533092",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1oc2ccc(Br)cc2c1N(C(=O)OCC)C1CCOC(CC)C1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1oc2ccc(Br)cc2c1N(C(=O)OCC)C1CCOC(CC)C1",
    "ref_smiles": "CCOC(=O)c1oc2ccc(C#N)cc2c1N(C(=O)OCC)C1CCOC(CC)C1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "26018c9d-8422-455e-b259-b885acfcead9",
    "task": "sub",
    "question": "Modify the molecule COc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(OC)c1Br by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(OC)c1Br",
    "ref_smiles": "COc1cc(C(=O)Nc2ccc(C=O)c(C(=O)NC3CCCCC3)c2)cc(OC)c1Br",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8cf61957-e9c7-4e3c-938b-5f4e11449656",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=P(CCc1ccccn1)(CCc1ccccn1)C(O)C(Cl)(Cl)Cl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=P(CCc1ccccn1)(CCc1ccccn1)C(O)C(Cl)(Cl)Cl",
    "ref_smiles": "O=P(CCc1ccccn1)(CCc1ccccn1)C(F)C(Cl)(Cl)Cl",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "144891e1-ae33-49bc-a675-ca068513b431",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)c1ccc(-c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)c1ccc(-c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)cc1",
    "ref_smiles": "CC(C#N)c1ccc(-c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4e99c2be-e2cd-4d51-9711-c088d882eb8c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccc(Cl)c(Cl)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccc(Cl)c(Cl)c1",
    "ref_smiles": "CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccc(NO)c(Cl)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f83d1a02-ae2a-41ac-b089-94f5b27d3f12",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#CCCNc1ccc(-c2ccc(F)c(F)c2)nn1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCCNc1ccc(-c2ccc(F)c(F)c2)nn1",
    "ref_smiles": "OCCNc1ccc(-c2ccc(F)c(F)c2)nn1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "ea242be6-c5d5-449c-ac07-63f0ade734dc",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C(=O)NCCCNC(=O)C2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=O)NCCCNC(=O)C2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1",
    "ref_smiles": "COc1ccc(C(=O)NCCCNC(=O)C2CCCN2C(=O)c2ccc(C(=O)O)c(Cl)c2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f36c471b-73db-47d7-a364-20d2a8ff84cd",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule COc1ccc(C[NH+]2CCCCC2)cc1C#N with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C[NH+]2CCCCC2)cc1C#N",
    "ref_smiles": "COc1ccc(C[NH+]2CCCCC2)cc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "620fc071-1970-443d-80fe-9cb9b48400d1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)CC([NH3+])C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)[O-] with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC([NH3+])C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)[O-]",
    "ref_smiles": "CC(C)CC([NH3+])C(=O)NC(C)C(=O)NC(CNO)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)[O-]",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "edc25784-73c0-433f-b9f3-2b4824ee77d1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1c(Cl)ncnc1N(C)Cc1ccsc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1c(Cl)ncnc1N(C)Cc1ccsc1",
    "ref_smiles": "CCc1c(C#N)ncnc1N(C)Cc1ccsc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2e670fb6-8aa3-4487-b3e7-ba2bfda032d2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(C(=O)Nc2cc(F)ccc2F)c1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C(=O)Nc2cc(F)ccc2F)c1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1",
    "ref_smiles": "Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2F)c1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "1773d47a-9a67-4d65-838e-4b8c86aa5d36",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCC1(C(=O)[O-])CCN(C(=O)C(C)Oc2cccc(Br)c2)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC1(C(=O)[O-])CCN(C(=O)C(C)Oc2cccc(Br)c2)C1",
    "ref_smiles": "COCC1(C(=O)[O-])CCN(C(=O)C(C)Oc2cccc(C=O)c2)C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "7f36df75-8ba1-497c-b8e6-6b90d47f7cd6",
    "task": "sub",
    "question": "Modify the molecule CCCC(O)C(O)(CC)C(O)CCC by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(O)C(O)(CC)C(O)CCC",
    "ref_smiles": "CCCC(O)C(O)(CC)C(CCC)NO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1085195a-1b92-4d5f-8b63-509244e4024a",
    "task": "sub",
    "question": "Modify the molecule COc1cccc(C2CC(CO)CC[NH2+]2)c1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(C2CC(CO)CC[NH2+]2)c1",
    "ref_smiles": "COc1cccc(C2CC(CS)CC[NH2+]2)c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "34d8363b-a90c-43a2-908d-8e8376e34909",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=S(=O)(c1cncc(F)c1)N1CCCC(c2nc(C(F)(F)F)cs2)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=S(=O)(c1cncc(F)c1)N1CCCC(c2nc(C(F)(F)F)cs2)C1",
    "ref_smiles": "CC(=O)c1cncc(S(=O)(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ff3a5d2c-10f8-4c1a-be87-dab5742f4b4b",
    "task": "sub",
    "question": "Modify the molecule CCn1cc(CC(O)c2ccc(N)cc2)cn1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1cc(CC(O)c2ccc(N)cc2)cn1",
    "ref_smiles": "CCn1cc(CC(S)c2ccc(N)cc2)cn1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "98df7b64-412a-45f2-9254-e9e5e1850fbe",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(CC(=O)Nc2cccc(Cl)c2F)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(CC(=O)Nc2cccc(Cl)c2F)cc1",
    "ref_smiles": "Cc1ccc(CC(=O)Nc2cccc(O)c2F)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "2389b709-ba41-4d48-a829-798b742cfc64",
    "task": "sub",
    "question": "Modify the molecule O=C(NCCCCCl)C1COc2ccccc2C1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCCCCCl)C1COc2ccccc2C1",
    "ref_smiles": "N#CCCCCNC(=O)C1COc2ccccc2C1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3eb3fe7c-8f8b-4b58-9d55-32da5b0d3084",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)N(Cc1ccccc1)c1cccc(Br)c1C[NH3+] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N(Cc1ccccc1)c1cccc(Br)c1C[NH3+]",
    "ref_smiles": "CC(C)N(Cc1ccccc1)c1cccc(C(=O)[OH])c1C[NH3+]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "04df4774-94d0-4817-a349-02ba80480a6c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])Cc1cccc(C(F)C2CC2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])Cc1cccc(C(F)C2CC2)c1",
    "ref_smiles": "ONC(c1cccc(CC(=O)[O-])c1)C1CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "83768c14-8ae5-4bcb-be0d-2023f605fa64",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)c1cccc(C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)c1cccc(C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)c1",
    "ref_smiles": "NC(=O)c1cccc(C[NH2+]Cc2c([N+](=O)[O-])ccc(Cl)c2Cl)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "67cbb299-9f5c-4517-bff7-d6ca134187bb",
    "task": "sub",
    "question": "Modify the molecule Cn1cnnc1CC[NH2+]CCCOCC(F)(F)F by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1cnnc1CC[NH2+]CCCOCC(F)(F)F",
    "ref_smiles": "Cn1cnnc1CC[NH2+]CCCOCC(F)(F)S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "08bcf65e-f790-4023-b50c-6f060bc9f276",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)N(C)c1nc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cs1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)N(C)c1nc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cs1",
    "ref_smiles": "CC(=O)N(C)c1nc(CSc2nnc(COc3ccccc3S)n2C2CC2)cs1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4dae5ecd-826a-4692-b7c3-52e7e4ec1948",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(Cl)c(C(F)(F)F)n2)c(-c2ccc(OC(F)(F)F)cc2)o1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(Cl)c(C(F)(F)F)n2)c(-c2ccc(OC(F)(F)F)cc2)o1",
    "ref_smiles": "Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C#N)c(C(F)(F)F)n2)c(-c2ccc(OC(F)(F)F)cc2)o1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "481a9213-f2b3-492d-a9ab-02a298229858",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1cc[nH+]c2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)ccc12 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1cc[nH+]c2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)ccc12",
    "ref_smiles": "Nc1cc[nH+]c2cc(CN3CCN(S(=O)(=O)c4cc5ccc(C(=O)[OH])cc5s4)CC3=O)ccc12",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "6d7511ee-3deb-4ff0-ad93-37cef10a6b0e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCc1nc(COc2ccc(Cl)cc2CO)no1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1nc(COc2ccc(Cl)cc2CO)no1",
    "ref_smiles": "CCCc1nc(COc2ccc(S)cc2CO)no1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "c3424195-07a5-4adb-8ba0-15ef0b7ec4b2",
    "task": "sub",
    "question": "Modify the molecule [NH3+]C1(C(=O)[O-])CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C1(C(=O)[O-])CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1",
    "ref_smiles": "[NH3+]C1(C(=O)[O-])CCN(c2cc(C(=O)[OH])c(F)cc2[N+](=O)[O-])C1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "11ba2db4-7a1d-49e0-82e8-d93dc5ac938e",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CCC1CCCC([NH2+]Cc2cc(Br)ccc2[N+](=O)[O-])C1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCCC([NH2+]Cc2cc(Br)ccc2[N+](=O)[O-])C1",
    "ref_smiles": "CCC1CCCC([NH2+]Cc2cc(Br)ccc2I=O)C1",
    "add_group": "halo",
    "remove_group": "nitro"
  },
  {
    "id": "381a4cc2-0967-4029-8081-57ffaaf278e8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCc1nc(N)cc(Oc2cc(Cl)ccc2C)n1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1nc(N)cc(Oc2cc(Cl)ccc2C)n1",
    "ref_smiles": "CCCc1nc(N)cc(Oc2cc(S)ccc2C)n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "229a197a-cfbd-46fc-88df-3896483b4bdc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule OC1CNCC(C(F)(F)F)C1O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC1CNCC(C(F)(F)F)C1O",
    "ref_smiles": "O=C(O)C(F)(F)C1CNCC(O)C1O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b91707f9-0604-45ce-8b9e-f0bf0132f302",
    "task": "sub",
    "question": "Modify the molecule CCC1CC(C)CCC1[NH2+]C(C)(C)CO by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CC(C)CCC1[NH2+]C(C)(C)CO",
    "ref_smiles": "CCC1CC(C)CCC1[NH2+]C(C)(C)CNO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cc1aa8bf-cd23-44a3-a366-0bc408eff292",
    "task": "sub",
    "question": "Modify the molecule Fc1ccc(Nc2nnc(-c3c(F)cc(F)cc3F)n2N=Cc2c(F)cccc2F)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(Nc2nnc(-c3c(F)cc(F)cc3F)n2N=Cc2c(F)cccc2F)cc1",
    "ref_smiles": "Oc1ccc(Nc2nnc(-c3c(F)cc(F)cc3F)n2N=Cc2c(F)cccc2F)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0208ca33-1c49-4530-93b9-7bb59c891b15",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C=CC#N)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C=CC#N)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1",
    "ref_smiles": "CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C=CS)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "de1ace32-edd5-4912-8364-ca7e8537e12d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCCCCc1cnc(-c2cc(F)c(C#N)c(F)c2)nc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCc1cnc(-c2cc(F)c(C#N)c(F)c2)nc1",
    "ref_smiles": "CCCCCCCCCc1cnc(-c2cc(F)c(C#N)c(C#N)c2)nc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "d4517f71-ac7f-4a4b-8970-1bbaba999cc1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1cnc(CCn2cncc2CCl)n1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1cnc(CCn2cncc2CCl)n1",
    "ref_smiles": "Cn1cnc(CCn2cncc2CS)n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "2c44bee7-6bed-4bec-8e28-2afbc48c539f",
    "task": "sub",
    "question": "Modify the molecule CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 by substituting a nitro with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1",
    "ref_smiles": "CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "f8b1b55e-7b13-4d30-9678-d56b6745d66d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2O)C1=O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2O)C1=O",
    "ref_smiles": "Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2Br)C1=O",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1becf522-613c-44b2-9633-96f0e0741669",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC1CCC(C2CCC(C3CC(F)C(C(F)F)C(F)C3)CC2)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC1CCC(C2CCC(C3CC(F)C(C(F)F)C(F)C3)CC2)CC1",
    "ref_smiles": "FC(F)C1C(F)CC(C2CCC(C3CCC(S)CC3)CC2)CC1F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "41440b36-b0eb-44ac-9d8a-9fb6bb6daa5b",
    "task": "sub",
    "question": "Modify the molecule CC(C)Oc1cc(-c2ccn3ncc(CO)c3n2)ccn1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)Oc1cc(-c2ccn3ncc(CO)c3n2)ccn1",
    "ref_smiles": "CC(C)Oc1cc(-c2ccn3ncc(CNO)c3n2)ccn1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "de16652d-2a75-4374-a5c8-97bbdf98cfd3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1ncc2c(Cl)nc(C[NH+]3CCNC(=O)C3)nc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1ncc2c(Cl)nc(C[NH+]3CCNC(=O)C3)nc21",
    "ref_smiles": "Cn1ncc2c(C#N)nc(C[NH+]3CCNC(=O)C3)nc21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "ca0be832-0e15-47c1-adcf-0911ed1ced7c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)N(C)S(C)(=O)=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)N(C)S(C)(=O)=O",
    "ref_smiles": "CN(Cc1nc(-c2ccc(C(=O)[OH])cc2)no1)C(=O)C(c1ccccc1)N(C)S(C)(=O)=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "711e8c13-7791-40b1-b153-f8238408762c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1CN(C(=O)Cn2cc(C(C)O)nn2)CC(C)O1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CN(C(=O)Cn2cc(C(C)O)nn2)CC(C)O1",
    "ref_smiles": "CC1CN(C(=O)Cn2cc(C(C)S)nn2)CC(C)O1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7c90ab4c-7bec-4f4b-b5b1-305f1d81bd8f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(F)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(F)cc1",
    "ref_smiles": "O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(C(=O)[OH])c1)c1ccc(F)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a4373e95-b5c4-4b32-a8c7-0cb20936d568",
    "task": "sub",
    "question": "Modify the molecule Cc1c(-c2csc(NCc3ccccc3)n2)c2cc(Cl)ccc2n1Cc1ccccc1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(-c2csc(NCc3ccccc3)n2)c2cc(Cl)ccc2n1Cc1ccccc1",
    "ref_smiles": "Cc1c(-c2csc(NCc3ccccc3)n2)c2cc(NO)ccc2n1Cc1ccccc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "8aa07c6b-c056-4fcb-bcfe-df85402dea27",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule NC(=O)c1cc(-c2ccnc(NCCc3ccc(O)cc3)c2)nc(N2CC[NH2+]CC2)c1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)c1cc(-c2ccnc(NCCc3ccc(O)cc3)c2)nc(N2CC[NH2+]CC2)c1",
    "ref_smiles": "NC(=O)c1cc(-c2ccnc(NCCc3ccc(F)cc3)c2)nc(N2CC[NH2+]CC2)c1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c64954ec-a895-4348-b326-b324b0c64ff5",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C1CC([NH2+]CC(O)COC2CCCC2)CN1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CC([NH2+]CC(O)COC2CCCC2)CN1",
    "ref_smiles": "O=C1CC([NH2+]CC(S)COC2CCCC2)CN1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d0d903ba-6468-425b-b172-f9aafe0f9733",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)C(C)c1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)C(C)c1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1",
    "ref_smiles": "COC(=O)C(C)c1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "92b63beb-9a22-4a4b-8260-ecf3376fce74",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)C(C)C(=O)NCC(C)C)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)C(C)C(=O)NCC(C)C)c1",
    "ref_smiles": "Cc1cccc(CN(C(=O)CN(c2ccccc2[N+](=O)[O-])S(C)(=O)=O)C(C)C(=O)NCC(C)C)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "26ed1174-8852-421f-a302-f5b852ef31ce",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1CCC(N(C)c2cnc(CCl)cn2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCC(N(C)c2cnc(CCl)cn2)CC1",
    "ref_smiles": "CC(=O)Cc1cnc(N(C)C2CCC(CC)CC2)cn1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "d8ab9af8-db55-421c-a145-16ffd2fc9871",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CSC1CCC(NC(=O)c2cc(Br)cnc2NN)C1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSC1CCC(NC(=O)c2cc(Br)cnc2NN)C1",
    "ref_smiles": "CSC1CCC(NC(=O)c2cc(C#N)cnc2NN)C1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "19aa1bce-902a-4422-bfc9-541fe3eabb87",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(Cl)c(C(=O)c2ccccc2)cc1Br with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(Cl)c(C(=O)c2ccccc2)cc1Br",
    "ref_smiles": "COc1cc(O)c(C(=O)c2ccccc2)cc1Br",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "91496f14-36b4-4476-b1e0-3f36773b0783",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C=Cc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=Cc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1",
    "ref_smiles": "O=C(C=Cc1ccc2c(c1)OCO2)Nc1ccc(S)cn1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "a1d2d792-2135-46f6-9db1-9b2a3a9ba479",
    "task": "sub",
    "question": "Modify the molecule N#Cc1ccccc1-c1noc(SCc2nnc(-c3ccncc3)o2)n1 by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccccc1-c1noc(SCc2nnc(-c3ccncc3)o2)n1",
    "ref_smiles": "CC(=O)c1ccccc1-c1noc(SCc2nnc(-c3ccncc3)o2)n1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "622d2935-ff24-482d-a071-29037a0ce888",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3cc(Cl)ccc3Cl)n2C)sc2c1CCCCCC2 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3cc(Cl)ccc3Cl)n2C)sc2c1CCCCCC2",
    "ref_smiles": "COC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3cc(S)ccc3Cl)n2C)sc2c1CCCCCC2",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e46f4c3c-ba41-4f56-837d-57d388428e6c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(Cc1cscn1)C(=O)c1ccc(Br)cc1[S-] with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(Cc1cscn1)C(=O)c1ccc(Br)cc1[S-]",
    "ref_smiles": "CN(Cc1cscn1)C(=O)c1ccc(O)cc1[S-]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "52c495b4-041c-42e1-b518-98aeb44274f0",
    "task": "sub",
    "question": "Modify the molecule N#Cc1ccc(NCC(F)(F)CO)cc1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc(NCC(F)(F)CO)cc1",
    "ref_smiles": "N#Cc1ccc(NCC(F)(F)C([N+](=O)[O-])cc1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f6701ae0-c126-47e3-8e13-8b1413573f47",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CCCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1",
    "ref_smiles": "CC1CCCN1C(=O)Nc1cc(S)cc(C(=O)[O-])c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "2e4c2e98-c8d4-4dc2-b63c-57e01acde0cb",
    "task": "sub",
    "question": "Modify the molecule Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)NC(C)C)c3)CC2)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)NC(C)C)c3)CC2)c1",
    "ref_smiles": "CC(=O)c1ccc(C(=O)Nc2ccccc2C)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)NC(C)C)c2)CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "928a9a3d-8423-4d61-9bff-191853b72c66",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCC(C)(C)NC(=O)c1cc(N)ccc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C)(C)NC(=O)c1cc(N)ccc1Cl",
    "ref_smiles": "CCCC(C)(C)NC(=O)c1cc(N)ccc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "0aca2ab2-ff4c-4d49-ba8e-fa5daa0f1cf9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCNc1cccc(Br)c1C(=O)[O-] with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNc1cccc(Br)c1C(=O)[O-]",
    "ref_smiles": "CCNc1cccc(O)c1C(=O)[O-]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bccf4b64-84e0-461f-a9f6-863066d4d4fc",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CNc1cc(C(=O)NC(Cc2ccccc2)C[NH+](C)C)cc(-c2cccc(CN3OCC(C(C)O)C3C(=O)NC3CC4CC(C3C)C4(C)C)c2OC)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNc1cc(C(=O)NC(Cc2ccccc2)C[NH+](C)C)cc(-c2cccc(CN3OCC(C(C)O)C3C(=O)NC3CC4CC(C3C)C4(C)C)c2OC)c1",
    "ref_smiles": "CNc1cc(C(=O)NC(Cc2ccccc2)C[NH+](C)C)cc(-c2cccc(CN3OCC(C(C)S)C3C(=O)NC3CC4CC(C3C)C4(C)C)c2OC)c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cb3c2759-fe66-4a56-aeec-f154e723beb3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1(C)CC(C)(c2cc(Cl)c([O-])c(Cl)c2)c2c1cc(Cl)c([O-])c2Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CC(C)(c2cc(Cl)c([O-])c(Cl)c2)c2c1cc(Cl)c([O-])c2Cl",
    "ref_smiles": "CC(=O)c1cc(C2(C)CC(C)(C)c3cc(Cl)c([O-])c(Cl)c32)cc(Cl)c1[O-]",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "588cf2ca-c5c9-4782-91f0-a5f534fba558",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(-c2cnc(Br)cc2Cl)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-c2cnc(Br)cc2Cl)cc1",
    "ref_smiles": "CC(=O)c1cc(Cl)c(-c2ccc(C)cc2)cn1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a63cb5a1-babc-4aaf-8b4e-a5827d421b90",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(SCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)cc1C by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(SCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)cc1C",
    "ref_smiles": "C(=O)c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "b5e3b034-5783-493f-a5ce-09ae15b97977",
    "task": "sub",
    "question": "Modify the molecule CC(C)C([NH2+]C1CC(c2ccc(F)cc2)C1)C(N)=O by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C([NH2+]C1CC(c2ccc(F)cc2)C1)C(N)=O",
    "ref_smiles": "CC(C)C([NH2+]C1CC(c2ccc(C(=O)O)cc2)C1)C(N)=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b260a26a-7e01-456c-9c36-87af9033cd45",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN1CC(=O)N2CC(NC(=O)CCC(=O)[O-])CC2COc2ccc(F)cc2C(=O)N(C)C(C(=O)N(C)CC[NH+](C)C)CCC1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1CC(=O)N2CC(NC(=O)CCC(=O)[O-])CC2COc2ccc(F)cc2C(=O)N(C)C(C(=O)N(C)CC[NH+](C)C)CCC1=O",
    "ref_smiles": "CN1CC(=O)N2CC(NC(=O)CCC(=O)[O-])CC2COc2ccc(C#N)cc2C(=O)N(C)C(C(=O)N(C)CC[NH+](C)C)CCC1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "79aec366-5b6f-43b3-8066-0c12c271dbcb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CCn1ncc(NC2(C[NH3+])CCCCC2C)c(Br)c1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCn1ncc(NC2(C[NH3+])CCCCC2C)c(Br)c1=O",
    "ref_smiles": "C=CCn1ncc(NC2(C[NH3+])CCCCC2C)c(C#N)c1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "c6917067-37d6-496b-9a78-c46b2df73235",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(OCC(O)C(C)(C)O)cc(C)c1-c1c(C(F)(F)F)ccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)[O-] by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(OCC(O)C(C)(C)O)cc(C)c1-c1c(C(F)(F)F)ccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)[O-]",
    "ref_smiles": "Cc1cc(OCC(O)C(C)(C)O)cc(C)c1-c1c(C(F)(F)C#N)ccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)[O-]",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "1f362a3f-9424-4612-9584-54eeddeb3d3c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cnc([N+]2=NC(C(F)(F)F)C=C2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cnc([N+]2=NC(C(F)(F)F)C=C2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12",
    "ref_smiles": "COc1cnc([N+]2=NC(C(F)(F)C#N)C=C2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "8ddbb2d1-71a5-42bb-82d5-d8b5e9d1cfca",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)C(=Cc1ccc(Cl)cc1Oc1ccccc1)N=[N+]=[N-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C(=Cc1ccc(Cl)cc1Oc1ccccc1)N=[N+]=[N-]",
    "ref_smiles": "CCOC(=O)C(=Cc1ccc(C(=O)[OH])cc1Oc1ccccc1)N=[N+]=[N-]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "9273cf4d-3c7b-4df0-bb77-a3735e30ef80",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(CC)C(=O)Nc1ccc(F)c(C#CCCO)c1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)C(=O)Nc1ccc(F)c(C#CCCO)c1",
    "ref_smiles": "CCC(CC)C(=O)Nc1ccc(F)c(C#CCCBr)c1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "346b066a-3130-485b-9710-421f3aebdcd8",
    "task": "sub",
    "question": "Modify the molecule COC(=O)C(c1ccccc1)S(=O)Cc1ccc(Br)cc1F by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)C(c1ccccc1)S(=O)Cc1ccc(Br)cc1F",
    "ref_smiles": "COC(=O)C(c1ccccc1)S(=O)Cc1ccc(S)cc1F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e764b341-a0a5-4a35-88c1-0205f084f232",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1csc(C2CCCN(c3ncnc(N)c3Cl)C2)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1csc(C2CCCN(c3ncnc(N)c3Cl)C2)n1",
    "ref_smiles": "CCc1csc(C2CCCN(c3ncnc(N)c3NO)C2)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d6a21302-b833-4715-865c-cda33e715f6a",
    "task": "sub",
    "question": "Modify the molecule CCC1CCCCC1C(C)(O)c1ccc(F)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCCCC1C(C)(O)c1ccc(F)cc1",
    "ref_smiles": "CCC1CCCCC1C(C)(O)c1ccc(O)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "32f4d692-1866-4da2-9167-7fd7b459d2f3",
    "task": "sub",
    "question": "Modify the molecule N#CC1=C(S)NC(=O)C([n+]2ccccc2)C1c1ccc(F)c(Br)c1 by substituting a nitrile with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC1=C(S)NC(=O)C([n+]2ccccc2)C1c1ccc(F)c(Br)c1",
    "ref_smiles": "O=C1NC(S)=C(Br)C(c2ccc(F)c(Br)c2)C1[n+]1ccccc1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "05dc9fdf-fb8e-4d9b-b4d0-ff0953a508c1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CCC(CCN2CCNCC(C(F)(F)F)C2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCC(CCN2CCNCC(C(F)(F)F)C2)CC1",
    "ref_smiles": "CC(=O)C(F)(F)C1CNCCN(CCC2CCC(C)CC2)C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "794d7281-9a24-4919-af40-5e524e8ce8b3",
    "task": "sub",
    "question": "Modify the molecule CN(Cc1ccc(F)cc1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(Cc1ccc(F)cc1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1",
    "ref_smiles": "CN(Cc1ccc(C#N)cc1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "5d6fb3ac-d3df-4f09-a9d9-ad8ef440fda7",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CS(=O)(=O)CCSCc1ccccc1B(O)O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)CCSCc1ccccc1B(O)O",
    "ref_smiles": "CC(=O)B(O)c1ccccc1CSCCS(C)(=O)=O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "270ad566-d12c-4f47-b69e-2537825c600b",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCC(CC)(CNc1c(C#N)c(C)nn1C)C(=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)(CNc1c(C#N)c(C)nn1C)C(=O)[O-]",
    "ref_smiles": "CCC(CC)(CNc1c(C(=O)[OH])c(C)nn1C)C(=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "d41df9e2-34a8-4659-936d-35d50e9f88de",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1cc(Br)ccc1NC1CCCOCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cc(Br)ccc1NC1CCCOCC1",
    "ref_smiles": "CCc1cc(O)ccc1NC1CCCOCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "941d0785-7724-497d-be3b-23fdd8e86e33",
    "task": "sub",
    "question": "Modify the molecule CC(CC(C)(N)C#N)Sc1cnn(C)c1 by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CC(C)(N)C#N)Sc1cnn(C)c1",
    "ref_smiles": "CC(=O)C(C)(N)CC(C)Sc1cnn(C)c1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "ee6c2467-e29f-4014-96e6-7ab3ef41aaac",
    "task": "sub",
    "question": "Modify the molecule CCC(C)C(Cn1cc(C(F)(F)F)ccc1=O)[NH2+]C by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)C(Cn1cc(C(F)(F)F)ccc1=O)[NH2+]C",
    "ref_smiles": "CCC(C)C(Cn1cc(C(O)(F)F)ccc1=O)[NH2+]C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "9b3cd6d4-04a4-42e4-af89-38a61fd0d0c7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)N1CCc2ccc(Br)cc2C1C(=O)Nc1ccc2c(c1)OCO2 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)N1CCc2ccc(Br)cc2C1C(=O)Nc1ccc2c(c1)OCO2",
    "ref_smiles": "COC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1C(=O)Nc1ccc2c(c1)OCO2",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "a99a9987-e4e7-474d-b139-ace484755fbc",
    "task": "sub",
    "question": "Modify the molecule CC(C)CNC(=O)CCNc1cc(Br)nc(C2CC2)n1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CNC(=O)CCNc1cc(Br)nc(C2CC2)n1",
    "ref_smiles": "CC(=O)c1cc(NCCC(=O)NCC(C)C)nc(C2CC2)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "5beae31b-44c5-4498-b377-0ce854723ff1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(OS(=O)(=O)c1cc(Br)cc(Br)c1[O-])C1(O)CCC[NH2+]1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(OS(=O)(=O)c1cc(Br)cc(Br)c1[O-])C1(O)CCC[NH2+]1",
    "ref_smiles": "N#CC1(C(=O)OS(=O)(=O)c2cc(Br)cc(Br)c2[O-])CCC[NH2+]1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c8d29052-1eca-46d2-a469-61aafcd648c9",
    "task": "sub",
    "question": "Modify the molecule CCNC(CC1CCCN(S(C)(=O)=O)C1)CC(F)(F)F by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(CC1CCCN(S(C)(=O)=O)C1)CC(F)(F)F",
    "ref_smiles": "CCNC(CC1CCCN(S(C)(=O)=O)C1)CC(F)(F)S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "412a9c3d-f873-4819-8c12-3a5732420feb",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1=CC(=C2C=C(C=Cc3ccc(N=Nc4ccc(N(c5ccc(CCO)cc5)c5ccc(CCO)cc5)cc4)c(CCO)c3)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=CC(=C2C=C(C=Cc3ccc(N=Nc4ccc(N(c5ccc(CCO)cc5)c5ccc(CCO)cc5)cc4)c(CCO)c3)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O",
    "ref_smiles": "CC1=CC(=C2C=C(C=Cc3ccc(N=Nc4ccc(N(c5ccc(CCO)cc5)c5ccc(CCC(=O)[OH])cc5)cc4)c(CCO)c3)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "699dcbc8-e160-4eac-b587-9f50a2d7c612",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCOc1ccc(C(=O)NCCOCC(F)(F)F)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCOc1ccc(C(=O)NCCOCC(F)(F)F)cc1",
    "ref_smiles": "CCCCOc1ccc(C(=O)NCCOCC(F)(F)NO)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6a6e7e9f-33f7-4033-beb0-0337791a7451",
    "task": "sub",
    "question": "Modify the molecule CC(c1ccoc1)N1C(=[NH2+])CCC(=[NH2+])N1O by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(c1ccoc1)N1C(=[NH2+])CCC(=[NH2+])N1O",
    "ref_smiles": "CC(c1ccoc1)N1C(=[NH2+])CCC(=[NH2+])N1S",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "01b5da9a-454b-427d-98cd-a5569aed4113",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1",
    "ref_smiles": "Cc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3O)cc2)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1c7742c7-203c-4b26-b8a8-549a7b911180",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1cc(-c2ccon2)cc(C(F)(F)F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1cc(-c2ccon2)cc(C(F)(F)F)c1",
    "ref_smiles": "N#CC(F)(F)c1cc(-c2ccon2)cc(C(F)(F)F)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "232909c8-f34b-4b05-aecd-b9834d34fc6b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1ccc(Cl)c(Br)c1CC(=O)[O-] with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1ccc(Cl)c(Br)c1CC(=O)[O-]",
    "ref_smiles": "Nc1ccc(O)c(Br)c1CC(=O)[O-]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "ecf2ec4a-e1e5-4a5e-afe9-90612ebf31b0",
    "task": "sub",
    "question": "Modify the molecule COC1OC(CO)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC1OC(CO)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O",
    "ref_smiles": "COC1OC(CS)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cc76c71a-2574-455f-bafe-1d6218d1aafe",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)OCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(Br)ccc1OCc1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)OCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(Br)ccc1OCc1ccccc1",
    "ref_smiles": "Cc1cc(NC(=O)OCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(S)ccc1OCc1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "bfe5335e-44a1-44b7-9e12-e6cafc79330a",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cn1cc(N2CC3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)cn1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1cc(N2CC3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)cn1",
    "ref_smiles": "CC(=O)C1(C(=O)N2CCC3(CC(=O)N(c4cnn(C)c4)C3)C2)CCCC1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "4db9a25c-0d65-4fc9-b4a8-8baf06bdd4fc",
    "task": "sub",
    "question": "Modify the molecule O=S(=O)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)C(F)(F)OCC(F)(F)F by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=S(=O)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)C(F)(F)OCC(F)(F)F",
    "ref_smiles": "N#CS(=O)(=O)C(F)(F)C(F)(F)OC(C(F)(F)F)C(F)(F)OCC(F)(F)F",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2ab82a16-e71b-4f60-9cba-58314a3973c6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(OO)c1cnc2cccc(Br)c2n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(OO)c1cnc2cccc(Br)c2n1",
    "ref_smiles": "ONc1cccc2ncc(C(=O)OO)nc12",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7cd2f4d8-f9a3-4e0c-80a8-4aacdc106b26",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])c1sc2c(c1F)CCN(Cc1ccccc1)c1ccccc1-2 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1sc2c(c1F)CCN(Cc1ccccc1)c1ccccc1-2",
    "ref_smiles": "ONc1c(C(=O)[O-])sc2c1CCN(Cc1ccccc1)c1ccccc1-2",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "3d6eaadd-e646-4b5c-9116-10317d4a668d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(F)ccc4F)ccc3C)CC2)cc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(F)ccc4F)ccc3C)CC2)cc1Cl",
    "ref_smiles": "CCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(NO)ccc4F)ccc3C)CC2)cc1Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "4d32e4d0-2421-46db-abae-ef4763f08284",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(OCCCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(OCCCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1",
    "ref_smiles": "COc1ccc(OCCCC(=O)N(C)Cc2ccc(C(F)(F)S)cc2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "abf2daec-8172-4c91-afc2-370b8ceb5552",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1cc(C#N)ccc1C[NH2+]CC(O)c1ccccc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C#N)ccc1C[NH2+]CC(O)c1ccccc1",
    "ref_smiles": "CC(=O)c1ccc(C[NH2+]CC(O)c2ccccc2)c(C)c1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "9bd47c73-5e60-4d0e-9e12-0d1727661c9f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)CC([NH3+])C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(C)C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC([NH3+])C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(C)C",
    "ref_smiles": "CC(C)CC([NH3+])C(=O)NC(C(=O)NC(Cc1ccc(C(=O)[OH])cc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(C)C",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "38213924-cd97-4717-910e-327873fcc336",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOCC(O)COc1c(C(C)(C)C)cc(OSC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOCC(O)COc1c(C(C)(C)C)cc(OSC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C",
    "ref_smiles": "CCOCC(S)COc1c(C(C)(C)C)cc(OSC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4391e984-6a47-4fc4-a139-a896ab1c468d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCN1C(N)=[NH+]CC1(C)c1cc(Cl)ccc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCN1C(N)=[NH+]CC1(C)c1cc(Cl)ccc1Cl",
    "ref_smiles": "COCCN1C(N)=[NH+]CC1(C)c1cc(NO)ccc1Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "4e39d44b-57a0-4714-8288-24776e4bc547",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1(C)C[NH2+]C(C)C(c2cccc(Cl)c2)O1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1(C)C[NH2+]C(C)C(c2cccc(Cl)c2)O1",
    "ref_smiles": "CCC1(C)C[NH2+]C(C)C(c2cccc(S)c2)O1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "df29885e-2031-4d66-82b0-f4fd16f6d410",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCOc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)C2c2cccc(OCC)c2)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)C2c2cccc(OCC)c2)cc1",
    "ref_smiles": "CCCOc1ccc(N2C(=O)C(S)=C(c3cccc4ccccc34)C2c2cccc(OCC)c2)cc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9e2bf123-7034-44eb-af33-e4311bd0c456",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)c(C)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)c(C)c1",
    "ref_smiles": "CCCNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(NO)c(C(=O)NC4CCCCC4)c3)CC2)c(C)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "ab38f7ba-f072-4df1-ba15-eb8ca452413f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule [NH3+]C(Cc1ccc(O)cc1)c1nc(C(=O)NCc2ccccc2)co1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C(Cc1ccc(O)cc1)c1nc(C(=O)NCc2ccccc2)co1",
    "ref_smiles": "[NH3+]C(Cc1ccc([N+](=O)[O-])cc1)c1nc(C(=O)NCc2ccccc2)co1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5f0cdad4-ee67-4d58-833f-6a325b08f857",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2cc(Cl)ccc2c1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2cc(Cl)ccc2c1=O",
    "ref_smiles": "COCCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2cc(C#N)ccc2c1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "cd04d7a0-2032-4d0c-ac60-6ed18c3238a9",
    "task": "sub",
    "question": "Modify the molecule CCCC[NH+](CP1OCC(Cl)(Cl)C(C)O1)CP1OCC(Cl)(Cl)C(C)O1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC[NH+](CP1OCC(Cl)(Cl)C(C)O1)CP1OCC(Cl)(Cl)C(C)O1",
    "ref_smiles": "CCCC[NH+](CP1OCC(S)(Cl)C(C)O1)CP1OCC(Cl)(Cl)C(C)O1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "5496acf1-fcd8-44fa-a5c8-97a2f858a40c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+](C)CCCNc1nncc(NCCc2cccc(Cl)c2)n1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCCNc1nncc(NCCc2cccc(Cl)c2)n1",
    "ref_smiles": "C[NH+](C)CCCNc1nncc(NCCc2cccc(C#N)c2)n1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "eab02f68-b0a6-402a-9e7e-dbee612e2ec7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3cccc(Cl)c3)CC2)cccc1C(=O)N1CCC(C)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3cccc(Cl)c3)CC2)cccc1C(=O)N1CCC(C)CC1",
    "ref_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3cccc(S)c3)CC2)cccc1C(=O)N1CCC(C)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "ef5e4ba5-eb13-41e3-92cd-69b1b4f713ac",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(F)ccc1Nc1ccc(C(=O)c2cc(OCC[NH+]3CCOCC3)ccc2C)c(N)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(F)ccc1Nc1ccc(C(=O)c2cc(OCC[NH+]3CCOCC3)ccc2C)c(N)c1",
    "ref_smiles": "Cc1cc(NO2)ccc1Nc1ccc(C(=O)c2cc(OCC[NH+]3CCOCC3)ccc2C)c(N)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "2702f80e-122d-4b0b-8a98-e98ead3f147a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CC(Cl)=C(CCCCN(CCC)S(=O)(=O)Cc1ccccc1)C(Cl)=CC with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(Cl)=C(CCCCN(CCC)S(=O)(=O)Cc1ccccc1)C(Cl)=CC",
    "ref_smiles": "C=CC(O)=C(CCCCN(CCC)S(=O)(=O)Cc1ccccc1)C(Cl)=CC",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "001401b7-ef4d-4b89-84a8-33b6a2177cc9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])c1cnc2nc(-c3cc(Cl)ccc3I)[nH]c2c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1cnc2nc(-c3cc(Cl)ccc3I)[nH]c2c1",
    "ref_smiles": "O=C([O-])c1cnc2nc(-c3cc(O)ccc3I)[nH]c2c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "20dd681f-9a87-4f8c-b47e-7f39f2953080",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#CC1CN(c2c(F)cc(C=CC(=O)[O-])cc2F)CCO1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC1CN(c2c(F)cc(C=CC(=O)[O-])cc2F)CCO1",
    "ref_smiles": "O=C([O-])C=Cc1cc(F)c(N2CCOC(S)C2)c(F)c1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "c8c30d79-b35a-486c-95b7-433c4cc3efdd",
    "task": "sub",
    "question": "Modify the molecule CCC(NC(=O)c1ccc(C(=O)NC(CCc2c[nH]c3ccccc23)C(=O)[O-])c(Cl)c1)c1cccc(O)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(NC(=O)c1ccc(C(=O)NC(CCc2c[nH]c3ccccc23)C(=O)[O-])c(Cl)c1)c1cccc(O)c1",
    "ref_smiles": "CCC(NC(=O)c1ccc(C(=O)NC(CCc2c[nH]c3ccccc23)C(=O)[O-])c(S)c1)c1cccc(O)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "0a960e1a-9673-4678-a923-850e9189ef73",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCN(CC)S(=O)(=O)c1ccc(SCc2cccc(OCC(F)(F)F)c2)nc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC)S(=O)(=O)c1ccc(SCc2cccc(OCC(F)(F)F)c2)nc1",
    "ref_smiles": "CCN(CC)S(=O)(=O)c1ccc(SCc2cccc(OCC(F)(F)S)c2)nc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "895ff8bb-7a16-43ae-b72e-1bde8246b3e6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1C2C=CC(CC2)C1Cl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1C2C=CC(CC2)C1Cl",
    "ref_smiles": "O=C1C2C=CC(CC2)C1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "fc50ae4f-13d2-4a1d-a58c-1f22528b597d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCc1nsc(NC(C)(CO)c2ccccc2)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1nsc(NC(C)(CO)c2ccccc2)n1",
    "ref_smiles": "CCc1nsc(NC(C)(CC(=O)O)c2ccccc2)n1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4b0f8a48-23ef-4b17-9260-e1259d730064",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1(C)CCC(O)(CNC(=O)C2CCCCS2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CCC(O)(CNC(=O)C2CCCCS2)CC1",
    "ref_smiles": "CC(=O)C1(CNC(=O)C2CCCCS2)CCC(C)(C)CC1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "35bed030-4118-434d-a06f-d5b55f7c5db3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(OCc2cn(Cc3ccccc3)nn2)c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(OCc2cn(Cc3ccccc3)nn2)c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1",
    "ref_smiles": "Cc1ccc(OCc2cn(Cc3ccccc3)nn2)c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1ad48129-9114-4d41-9254-eb164cb27b4b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCCC3)c(Cl)c2)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCCC3)c(Cl)c2)cc1",
    "ref_smiles": "COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCCC3)c(NO)c2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f2d565ac-59db-4330-ad2b-cf8565fea9ac",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1(C)c2cc(OCCCCC(=O)[O-])ccc2C(=O)c2c1[nH]c1cc(Br)ccc21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)c2cc(OCCCCC(=O)[O-])ccc2C(=O)c2c1[nH]c1cc(Br)ccc21",
    "ref_smiles": "CC1(C)c2cc(OCCCCC(=O)[O-])ccc2C(=O)c2c1[nH]c1cc(C=O)ccc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "868b855d-59c3-435a-8d86-6c90973ee3cc",
    "task": "sub",
    "question": "Modify the molecule O=c1nc(CSc2nnnn2CCO)[nH]c2ccsc12 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1nc(CSc2nnnn2CCO)[nH]c2ccsc12",
    "ref_smiles": "N#CCCn1nnnc1SCc1nc(=O)c2sccc2[nH]1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5f8234f5-8d55-4f8d-93a0-7761dfac696c",
    "task": "sub",
    "question": "Modify the molecule CC(C)C(NC(=O)C(NC(=O)C1CCC[NH2+]1)C(C)O)C(=O)NC(CCC(N)=O)C(=O)[O-] by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C(NC(=O)C(NC(=O)C1CCC[NH2+]1)C(C)O)C(=O)NC(CCC(N)=O)C(=O)[O-]",
    "ref_smiles": "CC(C)C(NC(=O)C(NC(=O)C1CCC[NH2+]1)C(C)Cl)C(=O)NC(CCC(N)=O)C(=O)[O-]",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "97eaadf1-daad-41c7-8557-b5c8959e298d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1ncnc1CC(C[NH3+])Cc1ccc(Cl)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1ncnc1CC(C[NH3+])Cc1ccc(Cl)cc1",
    "ref_smiles": "Cn1ncnc1CC(C[NH3+])Cc1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "59d170ac-3815-4778-8823-6759eae07a31",
    "task": "sub",
    "question": "Modify the molecule CC(C)CCc1[nH]nc(N)c1-c1cccc(Cl)c1F by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CCc1[nH]nc(N)c1-c1cccc(Cl)c1F",
    "ref_smiles": "CC(C)CCc1[nH]nc(N)c1-c1cccc(O)c1F",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "ba33e0f1-0261-4237-b603-9667a436379c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c2ccc(F)cc2)cc1OC with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c2ccc(F)cc2)cc1OC",
    "ref_smiles": "CC(=O)c1c(Br)cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "21f5e2e5-9375-428b-bd61-ce8d517ca370",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1c[nH+]cc(Br)c1NCCCCCO with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1c[nH+]cc(Br)c1NCCCCCO",
    "ref_smiles": "Nc1c[nH+]cc(C(=O)[OH])c1NCCCCCO",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "18c1bbba-38e6-40ec-9059-ae1d684ec704",
    "task": "sub",
    "question": "Modify the molecule Cc1nc(C(=O)N2CCCCC2Cc2[nH]c(-c3cccc(C#N)c3)c[nH+]2)c(-c2ccc(F)cc2)s1 by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(C(=O)N2CCCCC2Cc2[nH]c(-c3cccc(C#N)c3)c[nH+]2)c(-c2ccc(F)cc2)s1",
    "ref_smiles": "Cc1nc(C(=O)N2CCCCC2Cc2[nH]c(-c3cccc(C(=O)O)c3)c[nH+]2)c(-c2ccc(F)cc2)s1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "3fe97817-e8ac-430c-8a9a-9ddfd90f94a8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1=C(C)CC(Br)(CO)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=C(C)CC(Br)(CO)CC1",
    "ref_smiles": "CC1=C(C)CC(C#N)(CO)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "b9c69ee1-b21f-4d63-82bd-a68ae0be993d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(Cn1cnc2ccsc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cn1cnc2ccsc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1",
    "ref_smiles": "O=C(Cn1cnc2ccsc2c1=O)N1CCC(Br)(c2ccc(Cl)cc2)CC1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5d812a82-f7bc-44f4-9fb3-5dfeed2fdfdf",
    "task": "sub",
    "question": "Modify the molecule CC(C)C1C(C)N(C)C1[NH+]1CCN(c2ccccc2Cl)CC1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C1C(C)N(C)C1[NH+]1CCN(c2ccccc2Cl)CC1",
    "ref_smiles": "CC(C)C1C(C)N(C)C1[NH+]1CCN(c2ccccc2S)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "0e2be694-b08f-4211-b9d0-8657768f454d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(Br)cc2c(c1CON)OCO2 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(Br)cc2c(c1CON)OCO2",
    "ref_smiles": "Cc1c(S)cc2c(c1CON)OCO2",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "78b3ba9d-7a4d-4e08-a43a-1f6eebd9fa1f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]C(CC1CC2CCC1C2)c1cc(F)ccc1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(CC1CC2CCC1C2)c1cc(F)ccc1C",
    "ref_smiles": "C[NH2+]C(CC1CC2CCC1C2)c1cc(NO)ccc1C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "188977ac-0c8c-42f1-a09b-d8f5ecc19bb7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1nn2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)nc2s1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1nn2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)nc2s1",
    "ref_smiles": "CCc1nn2c(=O)cc(CSCC(=O)Nc3ccc(CHO)cc3)nc2s1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "356f97c7-9e19-4ca7-8e32-014f6c47c384",
    "task": "sub",
    "question": "Modify the molecule BrN1C=CCn2c1nc1c3ccccc3[nH]c12 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "BrN1C=CCn2c1nc1c3ccccc3[nH]c12",
    "ref_smiles": "ON1C=CCn2c1nc1c3ccccc3[nH]c12",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "3bf4407e-46b2-44af-9908-e255d53c771e",
    "task": "sub",
    "question": "Modify the molecule CC[NH2+]C(CSc1ccc(F)cc1)C(C)CCOC by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(CSc1ccc(F)cc1)C(C)CCOC",
    "ref_smiles": "CC[NH2+]C(CSc1ccc(S)cc1)C(C)CCOC",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "87ce8f07-b422-4548-9956-00bc75b350e9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1C(O)C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1C(O)C(=O)[O-]",
    "ref_smiles": "CC(c1ccc(C(F)(F)S)cc1)N(C)C(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1C(O)C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "7af85663-62e7-42db-b328-5bba00c8df72",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1noc(C)c1S(=O)On1c(-c2ccc(Cl)cc2)noc1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1noc(C)c1S(=O)On1c(-c2ccc(Cl)cc2)noc1=O",
    "ref_smiles": "Cc1noc(C)c1S(=O)On1c(-c2ccc(C#N)cc2)noc1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2b3e1fe5-1697-4d9d-bfc1-09c5c7f0ecb8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCN1CC(CO)COC1=O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCN1CC(CO)COC1=O",
    "ref_smiles": "CCCCN1CC(CS)COC1=O",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "89e9df53-d90d-4c9d-8fc8-1cabe330f89e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl",
    "ref_smiles": "COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "7cc3bea9-942c-4c04-83c7-69f6b7a9c7ee",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1ccc(C(C)C)cc1-c1ccnc(C#N)n1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(C)C)cc1-c1ccnc(C#N)n1",
    "ref_smiles": "Cc1ccc(C(C)C)cc1-c1ccnc(F)n1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "e7332fce-c42f-4731-a1ef-d319071b5da4",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCn1c(C2CCCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)n[nH]c1=S with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1c(C2CCCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)n[nH]c1=S",
    "ref_smiles": "CCn1c(C2CCCN(C(=O)c3ccc(-n4ncc(S)c4N)cc3)C2)n[nH]c1=S",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "9f9f6e5f-b948-45a4-857f-58a7c9f425b3",
    "task": "sub",
    "question": "Modify the molecule CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCCc3nc(-c4ccc(O)cc4)no3)nnc12 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCCc3nc(-c4ccc(O)cc4)no3)nnc12",
    "ref_smiles": "CCCCCn1c2nc(C(=O)[OH])[nH]c2c(=O)n2c(CCCc3nc(-c4ccc(O)cc4)no3)nnc12",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c1884352-7dc9-4f8e-86de-ad74022680b9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCNC(=O)C1CC(F)C[NH+]1C1(c2ccccc2OC)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC(F)(F)F)c2ccc(Cl)cc21 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(=O)C1CC(F)C[NH+]1C1(c2ccccc2OC)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC(F)(F)F)c2ccc(Cl)cc21",
    "ref_smiles": "CCNC(=O)C1CC(O)C[NH+]1C1(c2ccccc2OC)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC(F)(F)F)c2ccc(Cl)cc21",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "fea38d32-b40b-4771-822c-707937096412",
    "task": "sub",
    "question": "Modify the molecule Clc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)c(Cl)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)c(Cl)c1",
    "ref_smiles": "O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)c(N4CCSCC4)n2)c(Cl)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6b51ce0d-5c62-4e62-bc46-444424f3c5ea",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(c1cccc(F)c1-n1nccn1)N1CCOCC1Cc1cccc(-c2ncon2)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(c1cccc(F)c1-n1nccn1)N1CCOCC1Cc1cccc(-c2ncon2)c1",
    "ref_smiles": "O=C(c1cccc(O)c1-n1nccn1)N1CCOCC1Cc1cccc(-c2ncon2)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "930f4294-39ab-48be-a845-3335d08c8124",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(NC(=O)C(C)O)c(OC)cc1Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(NC(=O)C(C)O)c(OC)cc1Cl",
    "ref_smiles": "COc1cc(NC(=O)C(C)O)c(OC)cc1C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "95d85c87-93c8-409b-a445-0799b6f56e8a",
    "task": "sub",
    "question": "Modify the molecule Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2C)CCN(C(=O)Cc1ccc(OCc2ccc4ccccc4n2)cc1)C3 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2C)CCN(C(=O)Cc1ccc(OCc2ccc4ccccc4n2)cc1)C3",
    "ref_smiles": "Cc1nnc2n1-c1sc3c(c1C(c1ccccc1C(=O)[OH])=NC2C)CCN(C(=O)Cc1ccc(OCc2ccc4ccccc4n2)cc1)C3",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "41fa7a14-ab7e-4636-a701-0dcf0d80634c",
    "task": "sub",
    "question": "Modify the molecule CCC(C)CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C",
    "ref_smiles": "CC(=O)C(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9454396d-60b8-422b-8d9c-efce7cafee7b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OCCn1c(-c2ccccc2O)n[nH]c1=S with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCCn1c(-c2ccccc2O)n[nH]c1=S",
    "ref_smiles": "ONCCn1c(-c2ccccc2O)n[nH]c1=S",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ff9726cd-4c8f-4611-96da-2303765fe468",
    "task": "sub",
    "question": "Modify the molecule Cc1c(O)cc(O)c(Cl)c1NC(=O)[NH+]=C(N)N by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(O)cc(O)c(Cl)c1NC(=O)[NH+]=C(N)N",
    "ref_smiles": "Cc1c(O)cc(O)c(C(=O)O)c1NC(=O)[NH+]=C(N)N",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "754bf96d-382e-4d18-8138-d5735a4231ca",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COCCCCN(CCCN(CCCCN(CCCN(CCCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCCCN(CCCN(CCCCN(CCCN(CCCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F",
    "ref_smiles": "COCCCCN(CCCN(CCCCN(CCCN(CCCC[N+](=O)[O-])C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "42cbc00d-8ce6-465d-b693-8918596a7cc8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1cccc(Cl)c1CN1C(=O)CCSC1=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1cccc(Cl)c1CN1C(=O)CCSC1=O",
    "ref_smiles": "Nc1cccc(O)c1CN1C(=O)CCSC1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "5b5ff361-1f1f-480e-8011-4fa4d3067fc9",
    "task": "sub",
    "question": "Modify the molecule CC(C)CCNC(=O)CCNc1ccc(F)cc1F by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CCNC(=O)CCNc1ccc(F)cc1F",
    "ref_smiles": "CC(C)CCNC(=O)CCNc1ccc(C(=O)O)cc1F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "764512d5-7a46-46c8-a613-397765f5d651",
    "task": "sub",
    "question": "Modify the molecule CC[NH+](CC)CCN1Cc2c(ccc(Cl)c2Cl)C1C[NH3+] by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CC)CCN1Cc2c(ccc(Cl)c2Cl)C1C[NH3+]",
    "ref_smiles": "CC[NH+](CC)CCN1Cc2c(ccc(C=O)c2C1C[NH3+]",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "491b86fe-9ec9-4aab-9959-1ecd0ea0853a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1CN(C(=O)NC2CCCC(F)(F)C2)CCS1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CN(C(=O)NC2CCCC(F)(F)C2)CCS1",
    "ref_smiles": "CC(=O)C1CN(C(=O)NC2CCCCC2)CCS1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "74115751-2b86-43a6-b9d4-4609a54d0eb2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cccc(F)c1C[NH2+]C(C(=O)NO)C(C)O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(F)c1C[NH2+]C(C(=O)NO)C(C)O",
    "ref_smiles": "CC(=O)c1cccc(OC)c1C[NH2+]C(C(=O)NO)C(C)O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "48ac4799-69e9-4ebc-bb4d-61ce20f74417",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1c(F)c(F)c(Nc2c(Br)cc(C(F)(F)F)cc2Br)c(C#N)c1F with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1c(F)c(F)c(Nc2c(Br)cc(C(F)(F)F)cc2Br)c(C#N)c1F",
    "ref_smiles": "N#Cc1c(F)c(Cl)c(F)c(F)c1Nc1c(Br)cc(C(F)(F)F)cc1Br",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "a809c21f-bfdd-4ac1-8119-48d5bb205966",
    "task": "sub",
    "question": "Modify the molecule COCCOCC(=O)Nc1c(F)cccc1F by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCOCC(=O)Nc1c(F)cccc1F",
    "ref_smiles": "COCCOCC(=O)Nc1c(O)cccc1F",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "f8b6d6bc-5dd1-4553-ba60-f631bc25604d",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(NC(=O)[O-])cc1Br by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(NC(=O)[O-])cc1Br",
    "ref_smiles": "COc1ccc(NC(=O)[O-])cc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "f7a93606-ce99-4e2b-a8cc-aa185c0b1151",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(Nc2nc(-c3ccc(C(=O)NN=Cc4c(OCc5ccccc5Cl)ccc5ccccc45)cc3)cs2)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(Nc2nc(-c3ccc(C(=O)NN=Cc4c(OCc5ccccc5Cl)ccc5ccccc45)cc3)cs2)cc1",
    "ref_smiles": "Cc1ccc(Nc2nc(-c3ccc(C(=O)NN=Cc4c(OCc5ccccc5S)ccc5ccccc45)cc3)cs2)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "9721d28b-9f33-41fa-b885-fbb18976c77d",
    "task": "sub",
    "question": "Modify the molecule CCc1ccccc1N(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)cc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccccc1N(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)cc1",
    "ref_smiles": "CCc1ccccc1N(CC(=O)Nc1cc(OC)c(C=O)cc1OC)S(=O)(=O)c1ccc(C)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f7470887-00f1-4280-be37-01548f658623",
    "task": "sub",
    "question": "Modify the molecule CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)Nc3ccccc3Cc3nn[n-]n3)C(=O)C12C by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)Nc3ccccc3Cc3nn[n-]n3)C(=O)C12C",
    "ref_smiles": "CC(=O)c1c2c(c(O)c(C)c1C(=O)[OH])C1(C)C(=O)C(=C(C)Nc3ccccc3Cc3nn[n-]n3)C(=O)C=C1O2",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cac93a20-54d1-4233-9829-3deb00154e79",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)N(C(=O)c1cccc(Cl)c1)C(C)C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N(C(=O)c1cccc(Cl)c1)C(C)C",
    "ref_smiles": "CC(C)N(C(=O)c1cccc(S)c1)C(C)C",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "7d7b607f-19b4-4c2c-9f43-f18faf219d31",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1C2C(c3ccc(Cl)cc3)[NH2+]C(Cc3ccccc3)(C(=O)[O-])C2C(=O)N1c1ccc(Cl)cc1Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1C2C(c3ccc(Cl)cc3)[NH2+]C(Cc3ccccc3)(C(=O)[O-])C2C(=O)N1c1ccc(Cl)cc1Cl",
    "ref_smiles": "N#Cc1ccc(C2[NH2+]C(Cc3ccccc3)(C(=O)[O-])C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)C23)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "f0740b7a-5b84-4ce9-ba37-ee038f73d6ff",
    "task": "sub",
    "question": "Modify the molecule Brc1ncn(Cc2nccs2)n1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Brc1ncn(Cc2nccs2)n1",
    "ref_smiles": "Oc1ncn(Cc2nccs2)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "7ff00caa-b41c-4470-adc5-5583975c9ccd",
    "task": "sub",
    "question": "Modify the molecule CC(C)c1ccc(NC(=O)NCCC(C)c2ccc(Cl)cc2)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1ccc(NC(=O)NCCC(C)c2ccc(Cl)cc2)cc1",
    "ref_smiles": "CC(C)c1ccc(NC(=O)NCCC(C)c2ccc(C(=O)O)cc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "1bc634b6-7961-4c00-a087-370720808656",
    "task": "sub",
    "question": "Modify the molecule C[NH+](C)C1CC[NH+](CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)C1CC[NH+](CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1",
    "ref_smiles": "C[NH+](C)C1CC[NH+](CC(c2cccc(C(F)(F)F)c2)C2(C(=O)[OH])CCCCC2)CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "685e4fce-4d5b-4a58-919e-b63a026334c8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCC(=O)OC1CC(=O)C=C2CCC3C(C(=O)CC4(C)C3CCC4(O)C(=O)CO)C21C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(=O)OC1CC(=O)C=C2CCC3C(C(=O)CC4(C)C3CCC4(O)C(=O)CO)C21C",
    "ref_smiles": "CC(=O)C1(C(=O)CO)CCC2C3CCC4=CC(=O)CC(OC(=O)CCC)C4(C)C3C(=O)CC21C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3303eecc-3acd-4262-8826-5eaa04c097a0",
    "task": "sub",
    "question": "Modify the molecule [NH3+]CCc1n[nH]c(Cc2cccc(F)c2)n1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CCc1n[nH]c(Cc2cccc(F)c2)n1",
    "ref_smiles": "[NH3+]CCc1n[nH]c(Cc2cccc(S)c2)n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "71ecedbc-33ea-4294-8b98-9ad7e5077f3f",
    "task": "sub",
    "question": "Modify the molecule CCCOc1cc(C)c(Cl)c(C)c1C(C)(O)C(F)(F)F by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1cc(C)c(Cl)c(C)c1C(C)(O)C(F)(F)F",
    "ref_smiles": "CCCOc1cc(C)c(Cl)c(C)c1C(C)(C(=O)O)C(F)(F)F",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f7883e8f-8ccb-4fbd-8ce6-ad3fdf8cbc00",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(Cl)nn1)c1ccc2cc(Br)ccc2c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(Cl)nn1)c1ccc2cc(Br)ccc2c1",
    "ref_smiles": "CC(=O)c1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)nn1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "536b1b79-3da9-4be0-91e5-9ffce62e9be3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCOCCCCNS(=O)(=O)CCCl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCOCCCCNS(=O)(=O)CCCl",
    "ref_smiles": "COCCOCCCCNS(=O)(=O)CCNO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "36aab346-4c5f-43eb-899b-ffb28f244922",
    "task": "sub",
    "question": "Modify the molecule COc1cccc(N2CCC(=CC3=C(C(=O)[O-])N4C(=O)C(NC(=O)C(=NO)c5csc(N)n5)C4SC3)C2=O)c1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(N2CCC(=CC3=C(C(=O)[O-])N4C(=O)C(NC(=O)C(=NO)c5csc(N)n5)C4SC3)C2=O)c1",
    "ref_smiles": "COc1cccc(N2CCC(=CC3=C(C(=O)[O-])N4C(=O)C(NC(=O)C(=NNO)c5csc(N)n5)C4SC3)C2=O)c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "208143de-ade6-4f50-a924-e43f5282fb22",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)COC2(C)C[NH2+]C2)ccc1F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)COC2(C)C[NH2+]C2)ccc1F",
    "ref_smiles": "Cc1cc(NC(=O)COC2(C)C[NH2+]C2)ccc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "62323fd6-5158-475f-9079-0c3708eeb2bd",
    "task": "sub",
    "question": "Modify the molecule CCc1cc(C(=O)N(C)c2ccccc2F)cc(NN)n1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cc(C(=O)N(C)c2ccccc2F)cc(NN)n1",
    "ref_smiles": "CCc1cc(C(=O)N(C)c2ccccc2C(=O)[OH])cc(NN)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c6f61634-be3f-43cf-9c34-c4e818660425",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Oc1ccc(O)n1CCCCCCn1c(O)ccc1O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Oc1ccc(O)n1CCCCCCn1c(O)ccc1O",
    "ref_smiles": "ONc1ccc(O)n1CCCCCCn1c(O)ccc1O",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a41469ff-7844-4bd8-acad-49ccb4275312",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1",
    "ref_smiles": "Cc1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(NO)cc3)ccc2Cl)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d4b3e2f7-5893-401e-9288-0d580ad67b08",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)(CO)C[NH2+]Cc1cc(Br)ccc1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)(CO)C[NH2+]Cc1cc(Br)ccc1F",
    "ref_smiles": "CCC(C)(CO)C[NH2+]Cc1cc(CHO)ccc1F",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "87f3c720-d578-4f21-8a6b-6a89010d4e75",
    "task": "sub",
    "question": "Modify the molecule C[NH+](CC(=O)NC1CC1)Cc1cc(Br)cc2c1OCC2 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](CC(=O)NC1CC1)Cc1cc(Br)cc2c1OCC2",
    "ref_smiles": "C[NH+](CC(=O)NC1CC1)Cc1cc(C(=O)[OH])cc2c1OCC2",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "79117f68-cd71-4cc1-ab39-75e67ee34211",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc(C)c1O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc(C)c1O",
    "ref_smiles": "Cc1cc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc(C)c1F",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "59074d16-0ff0-4591-9159-135191249c9a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1Br with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1Br",
    "ref_smiles": "Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "a1b2b969-7a41-49a3-887c-54ca9a4b8af8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule NC(=S)NN=CC(=NNC(N)=S)C(O)C(O)CO with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=S)NN=CC(=NNC(N)=S)C(O)C(O)CO",
    "ref_smiles": "NC(=S)NN=CC(=NNC(N)=S)C(C(=O)O)C(O)CO",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "32f6c4d5-1974-4181-8585-2fc67b600805",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)OCC(O)C1OC(=O)C(=O)C1=O by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OCC(O)C1OC(=O)C(=O)C1=O",
    "ref_smiles": "CC(=O)C(COC(C)(C)C)C1OC(=O)C(=O)C1=O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bf1bfc1c-8cd5-4ddf-a570-4fd7e447b006",
    "task": "sub",
    "question": "Modify the molecule COC(=O)Cn1nc(-c2cc(C)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)[nH]1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cn1nc(-c2cc(C)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)[nH]1",
    "ref_smiles": "COC(=O)Cn1nc(-c2cc(C)nc(-c3ccc(Oc4ccc(O)cc4)cc3)c2)[nH]1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "33b0c5db-d3fe-4bcb-a008-13e5dd69c9be",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCNc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)cc1",
    "ref_smiles": "CC(=O)C(CN(CC(C)C)S(=O)(=O)c1ccc(NCC)cc1)C(Cc1ccccc1)NC(=O)OC1CCOC1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7cbdcd72-3025-4229-8fab-442399fbe53d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])C1CN(CCCOc2ccc3ccccc3c2)CC1C(F)(F)F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])C1CN(CCCOc2ccc3ccccc3c2)CC1C(F)(F)F",
    "ref_smiles": "O=C([O-])C1CN(CCCOc2ccc3ccccc3c2)CC1C(F)(F)S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "ffe3c399-64dd-4749-9d0f-ee0d652769c1",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc2c(c1)C(Nc1ccccc1C#N)C(=O)N2 by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc2c(c1)C(Nc1ccccc1C#N)C(=O)N2",
    "ref_smiles": "Cc1ccc2c(c1)C(Nc1ccccc1C(=O)[OH])C(=O)N2",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "7daf83bb-ba64-4a45-8c49-59bf0dd8c486",
    "task": "sub",
    "question": "Modify the molecule CC1CCCC1C(=O)N1CCCC1CCCBr by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCCC1C(=O)N1CCCC1CCCBr",
    "ref_smiles": "CC1CCCC1C(=O)N1CCCC1CCCO",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0c728a2d-5707-41c6-9db3-b7d1fd038df3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1c2cccccc-2c(I)c1NC(C)=O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1c2cccccc-2c(I)c1NC(C)=O",
    "ref_smiles": "CCOC(=O)c1c2cccccc-2c(S)c1NC(C)=O",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "a9d7d830-3b3e-49ce-a423-2e0dd124f44b",
    "task": "sub",
    "question": "Modify the molecule CC(C)(O)CN1C(=O)NC(C)(C)C1=O by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(O)CN1C(=O)NC(C)(C)C1=O",
    "ref_smiles": "CC(C)(NO2)CN1C(=O)NC(C)(C)C1=O",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d79ac474-42e9-41c4-8b17-a413b68e40df",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccc(C(CCCCC(=O)NO)C2=C(C)C(=O)c3ccccc3C2=O)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(CCCCC(=O)NO)C2=C(C)C(=O)c3ccccc3C2=O)cc1",
    "ref_smiles": "COc1ccc(C(CCCCC(=O)NCl)C2=C(C)C(=O)c3ccccc3C2=O)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "659a8a4c-d983-4505-b9b8-6b2f7c718b74",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(F)c(C(CC2CCOCC2)NN)c1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(F)c(C(CC2CCOCC2)NN)c1",
    "ref_smiles": "Cc1ccc(C(=O)[OH])c(C(CC2CCOCC2)NN)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "72f1b0aa-b7aa-44df-9f07-4f362fffef78",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)(O)CSc1nc(C2CC2)n(-c2ccccc2)n1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(O)CSc1nc(C2CC2)n(-c2ccccc2)n1",
    "ref_smiles": "CC(C)(C#N)CSc1nc(C2CC2)n(-c2ccccc2)n1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9da50a60-af4c-4ba8-b83c-4ae636ecd1bb",
    "task": "sub",
    "question": "Modify the molecule CCC(C)C(NC(=O)C1CCCN1C(=O)C([NH3+])CO)C(=O)NC(C(=O)[O-])C(C)C by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)C(NC(=O)C1CCCN1C(=O)C([NH3+])CO)C(=O)NC(C(=O)[O-])C(C)C",
    "ref_smiles": "CCC(C)C(NC(=O)C1CCCN1C(=O)C([NH3+])C([N+](=O)[O-])C(=O)NC(C(=O)[O-])C(C)C",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "48fe82b6-b9cb-4a3f-a835-2008e083a2f6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(Oc1cccc(Cl)c1)C(=O)Nc1c(C#N)cnn1C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Oc1cccc(Cl)c1)C(=O)Nc1c(C#N)cnn1C",
    "ref_smiles": "CC(Oc1cccc(C(=O)[OH])c1)C(=O)Nc1c(C#N)cnn1C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "415b665d-276d-45bb-adba-f40ccfb4ed28",
    "task": "sub",
    "question": "Modify the molecule Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12",
    "ref_smiles": "Cc1nn(Cc2ccc(C(=O)[OH])cc2)c(C)c1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "36c62c03-c5c2-4ce9-83a2-dc9b97792bce",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C(O)CC2CC2)cc1F by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(O)CC2CC2)cc1F",
    "ref_smiles": "CC(=O)C(CC1CC1)c1ccc(OC)c(F)c1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ad871170-b7ac-4149-8b5f-5dc8cdc80532",
    "task": "sub",
    "question": "Modify the molecule COC(=O)c1nnc(NC(=O)NC(Cc2ccc(O)cc2)C(=O)NC2CCC[N+](C)(Cc3cccc(O)c3)C2)n1C by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1nnc(NC(=O)NC(Cc2ccc(O)cc2)C(=O)NC2CCC[N+](C)(Cc3cccc(O)c3)C2)n1C",
    "ref_smiles": "COC(=O)c1nnc(NC(=O)NC(Cc2ccc(F)cc2)C(=O)NC2CCC[N+](C)(Cc3cccc(O)c3)C2)n1C",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "64ff387d-99b6-4fa1-ab4d-210b68fb4a66",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(Cl)CCNC(=O)c1cccc2cccnc12 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Cl)CCNC(=O)c1cccc2cccnc12",
    "ref_smiles": "CC(CCNC(=O)c1cccc2cccnc12)C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f5b1f03c-04be-4a6c-a69a-5c0a27f1ffb8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)C(C)(C)Oc1c(C)cc(C[NH2+]CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C(C)(C)Oc1c(C)cc(C[NH2+]CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1C",
    "ref_smiles": "CCOC(=O)C(C)(C)Oc1c(C)cc(C[NH2+]CC(=O)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "8c1d9313-838f-4840-a367-dacecad9c6f4",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CCc1cc(C=NNC(=O)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCc1cc(C=NNC(=O)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1O",
    "ref_smiles": "C=CCc1cc(C=NNC(=O)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1I",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "44feaf94-6fb8-48a2-ad1b-3ce5c4eebebf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)C2CCN(c3ncccn3)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)C2CCN(c3ncccn3)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1",
    "ref_smiles": "Cc1cc(NC(=O)C2CCN(c3ncccn3)CC2)n(-c2cc(C(F)(F)S)ccc2Cl)n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "5b46f82b-2fdb-4018-bab5-683c59a828f7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C2(CCC[NH3+])COC2)cc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C2(CCC[NH3+])COC2)cc1Cl",
    "ref_smiles": "COc1ccc(C2(CCC[NH3+])COC2)cc1[N+](=O)[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "525b7e10-4d93-4941-abb2-23f2ddf0502e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCc1c(Br)cccc1NC(=O)COCC[NH3+] with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCc1c(Br)cccc1NC(=O)COCC[NH3+]",
    "ref_smiles": "COCc1c(O)cccc1NC(=O)COCC[NH3+]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "805b322d-57de-4ec5-8daa-89e6a0fe4a16",
    "task": "sub",
    "question": "Modify the molecule CCOc1sc2ccc(Cl)cc2c1C(=O)[O-] by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1sc2ccc(Cl)cc2c1C(=O)[O-]",
    "ref_smiles": "CCOc1sc2ccc(NO)cc2c1C(=O)[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "68f8f8ea-419a-4dc2-bbc6-c6fafedb4fe3",
    "task": "sub",
    "question": "Modify the molecule Cc1nn(CCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1Cl by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nn(CCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1Cl",
    "ref_smiles": "Cc1nn(CCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4599c668-806b-4cdb-9994-2a9a9bdd8e13",
    "task": "sub",
    "question": "Modify the molecule [NH3+]CCC(O)c1nc2ccc(Cl)cc2o1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CCC(O)c1nc2ccc(Cl)cc2o1",
    "ref_smiles": "[NH3+]CCC(O)c1nc2ccc(O)cc2o1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "63c4950d-ae68-4aa4-a425-0c3c604b01cc",
    "task": "sub",
    "question": "Modify the molecule O=C1NC(C(=O)NCc2ccccc2Cl)CO1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1NC(C(=O)NCc2ccccc2Cl)CO1",
    "ref_smiles": "O=C1NC(C(=O)NCc2ccccc2C(=O)[OH])CO1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e23686df-865c-4da6-8425-a7972c1f5930",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)CC[NH+](C)Cc1cccc(F)c1F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)CC[NH+](C)Cc1cccc(F)c1F",
    "ref_smiles": "CCOC(=O)CC[NH+](C)Cc1cccc(NO)c1F",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "88602e1e-8fb6-451d-8fd7-eb957354631f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C(=O)C[NH+]2CCCCC2C(N)=O)cc1Br with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=O)C[NH+]2CCCCC2C(N)=O)cc1Br",
    "ref_smiles": "COc1ccc(C(=O)C[NH+]2CCCCC2C(N)=O)cc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "58da3bde-4703-44ec-a7f0-0e6afd09acbc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1nnc2ccc(NCC3CCCCC3)nn12 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1nnc2ccc(NCC3CCCCC3)nn12",
    "ref_smiles": "O=[N+]([O-])c1nnc2ccc(NCC3CCCCC3)nn12",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7377ac89-c4b4-43e0-a7a5-090beab91042",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cc(C(=O)Nc5cccc(F)c5)ccc4C)CC3)c(C)c2)cc1F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cc(C(=O)Nc5cccc(F)c5)ccc4C)CC3)c(C)c2)cc1F",
    "ref_smiles": "Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cc(C(=O)Nc5cccc(S)c5)ccc4C)CC3)c(C)c2)cc1F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "fe7cf490-8987-4995-b4d4-8ac01b568211",
    "task": "sub",
    "question": "Modify the molecule CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1",
    "ref_smiles": "CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C=O)cc3)cc2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "3e2d4372-0f9f-4633-b242-c879a9632408",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)ccc1Cl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)ccc1Cl",
    "ref_smiles": "Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(S)c(C(=O)NC4CCCCC4)c3)CC2)ccc1Cl",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "10d3fbd9-142f-4fa9-a6ae-e4c7203de12b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCc1cc2c(cc1CC)CC([NH2+]CC(O)c1ccc(O)c3nc(C)ccc13)C2 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cc2c(cc1CC)CC([NH2+]CC(O)c1ccc(O)c3nc(C)ccc13)C2",
    "ref_smiles": "CCc1cc2c(cc1CC)CC([NH2+]CC(C(=O)O)c1ccc(O)c3nc(C)ccc13)C2",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "83522e65-8880-45ff-a63f-2b8b69d4e640",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1NC(=O)c2ccccc2N(CCC(F)(F)F)C1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1NC(=O)c2ccccc2N(CCC(F)(F)F)C1=O",
    "ref_smiles": "CCC1NC(=O)c2ccccc2N(CCC(F)(F)C#N)C1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "4b02a18d-2f8f-430e-887f-486a4b6bc7be",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])CCCCCCOc1ccc(-c2c[nH+]c3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CCCCCCOc1ccc(-c2c[nH+]c3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1",
    "ref_smiles": "O=C([O-])CCCCCCOc1ccc(-c2c[nH+]c3ccc(-c4cn[nH]c4-c4ccc(C(=O)O)cc4)cn23)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "41a9c46d-977d-40b8-94ae-2a36b7732da4",
    "task": "sub",
    "question": "Modify the molecule C=C(C)COCCOCCC[Si](Cl)(Cl)Cl by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(C)COCCOCCC[Si](Cl)(Cl)Cl",
    "ref_smiles": "C=C(C)COCCOCCC[Si](Cl)(Cl)C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e794298a-fd11-470a-8c31-64f9abf5ae89",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)C(=O)C[NH+]1CC=CC(OC(=O)[O-])=C1SCCCc1ccc(F)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)C(=O)C[NH+]1CC=CC(OC(=O)[O-])=C1SCCCc1ccc(F)cc1",
    "ref_smiles": "CC(C)(C)C(=O)C[NH+]1CC=CC(OC(=O)[O-])=C1SCCCc1ccc(C(=O)O)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "d8954cfc-2f53-4f3b-87da-21bf46ce2e84",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCOc1ccnc(NCCOCC(F)(F)F)n1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1ccnc(NCCOCC(F)(F)F)n1",
    "ref_smiles": "CCCOc1ccnc(NCCOCC(O)(F)F)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "34c18cb0-21cc-4ce5-9aa0-e4adc6c20bea",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CC(N)[NH2+]CC(O)COc1ccccc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(N)[NH2+]CC(O)COc1ccccc1",
    "ref_smiles": "CC(=O)C(C[NH2+]C(N)C=C)COc1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c1e7cd02-064e-4010-b39b-4de35938f249",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CC(N)[NH2+]CC(O)COc1ccccc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(N)[NH2+]CC(O)COc1ccccc1",
    "ref_smiles": "CC(=O)C(C[NH2+]C(N)C=C)COc1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c0268eb1-40e9-4862-97a1-0177b9f0032e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)C1C(CO)ON(Cc2cccc(CNC(=O)NCc3ccccc3)c2)C1C(=O)NC1CC2CC(C1C)C2(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)C1C(CO)ON(Cc2cccc(CNC(=O)NCc3ccccc3)c2)C1C(=O)NC1CC2CC(C1C)C2(C)C",
    "ref_smiles": "CC(NO)C1C(CO)ON(Cc2cccc(CNC(=O)NCc3ccccc3)c2)C1C(=O)NC1CC2CC(C1C)C2(C)C",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "347da01a-f75b-44be-906e-d5ddf94d4216",
    "task": "sub",
    "question": "Modify the molecule CC(C)C(=O)Nc1nc(=O)c2ncn(C3OC(CO)C(C)C3C)c2[nH]1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C(=O)Nc1nc(=O)c2ncn(C3OC(CO)C(C)C3C)c2[nH]1",
    "ref_smiles": "CC(C)C(=O)Nc1nc(=O)c2ncn(C3OC(CS)C(C)C3C)c2[nH]1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b4ec1cd0-4e73-4bf2-bc9f-edc0ca0223e5",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C(C)NC2=[NH+]C(C)C(C)CS2)cc1F by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(C)NC2=[NH+]C(C)C(C)CS2)cc1F",
    "ref_smiles": "Cc1ccc(C(C)NC2=[NH+]C(C)C(C)CS2)cc1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "3ba24f06-1fc3-4968-8ece-f2bb154d9fe3",
    "task": "sub",
    "question": "Modify the molecule CC(C)OCCCCCCCCOCCO by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)OCCCCCCCCOCCO",
    "ref_smiles": "CC(C)OCCCCCCCCOCCC(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3f9c2c66-0a0c-449b-91ef-9e7c0141ab2b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCCC(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCCC(=O)[O-]",
    "ref_smiles": "N#Cc1c(C(F)(F)S)cc(C2CC2)nc1SCCC(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4064efbe-e07c-4abb-930b-755cdc997a80",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1",
    "ref_smiles": "Cc1ccc(-n2c(C)cc(C=C(C(=O)O)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "cea074a3-6b45-4e64-8de1-1601dec163ec",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)CC1[NH2+]C(C(=O)CC2CC(C)(C)C2)C(c2cccc(F)c2F)C12C(=O)Nc1cc(Cl)ccc12 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)CC1[NH2+]C(C(=O)CC2CC(C)(C)C2)C(c2cccc(F)c2F)C12C(=O)Nc1cc(Cl)ccc12",
    "ref_smiles": "CC(C)(C)CC1[NH2+]C(C(=O)CC2CC(C)(C)C2)C(c2cccc(O)c2F)C12C(=O)Nc1cc(Cl)ccc12",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "cd79d3e4-2bbf-4c56-96ae-93971c93d18c",
    "task": "sub",
    "question": "Modify the molecule O=c1ccc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1Cl by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1ccc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1Cl",
    "ref_smiles": "O=c1ccc(C(F)(F)S)cn1-c1ccc([N+](=O)[O-])cc1Cl",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "6cd286a4-5113-4456-a76a-2249c5fa37ed",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1",
    "ref_smiles": "O=C(COC(=O)c1cccc(O)c1)Nc1cc(Cl)cc(Cl)c1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "e56b216a-c184-4d52-b933-35dd78499dee",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(Br)c(F)cc1NCC1CCC(C)CC1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Br)c(F)cc1NCC1CCC(C)CC1",
    "ref_smiles": "Cc1cc([N+](=O)[O-])c(F)cc1NCC1CCC(C)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "fa9c30e5-29f6-4b67-b1b2-fe07550cdf66",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(CNC(=O)Nc2cc(Cl)ccc2C(=O)[O-])s1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(CNC(=O)Nc2cc(Cl)ccc2C(=O)[O-])s1",
    "ref_smiles": "Cc1ccc(CNC(=O)Nc2cc(S)ccc2C(=O)[O-])s1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "8b948e92-3dfc-4534-8ab1-365034d9c88b",
    "task": "sub",
    "question": "Modify the molecule OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=Cc2ccccc2O1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=Cc2ccccc2O1",
    "ref_smiles": "CC(=O)C1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=Cc2ccccc2O1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "fd3e29a6-ee03-4f72-873c-0b59c13555cb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)N(O)C1CCc2cc(OCc3ccccc3C(F)(F)F)ccc21 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)N(O)C1CCc2cc(OCc3ccccc3C(F)(F)F)ccc21",
    "ref_smiles": "NC(=O)N(O)C1CCc2cc(OCc3ccccc3C(F)(F)NO)ccc21",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "294d5232-9302-4b23-adc1-21e5844dcef0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCNC(=O)Nc1nc2c(F)c(-c3cccc(OCC(=O)[O-])c3)cc(-c3ncccc3F)c2s1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(=O)Nc1nc2c(F)c(-c3cccc(OCC(=O)[O-])c3)cc(-c3ncccc3F)c2s1",
    "ref_smiles": "CCNC(=O)Nc1nc2c(C(=O)[OH])c(-c3cccc(OCC(=O)[O-])c3)cc(-c3ncccc3F)c2s1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "9f42c436-bec5-42aa-a482-3230410e257f",
    "task": "sub",
    "question": "Modify the molecule CC1C(C(=O)[O-])CCN1C(=O)CNC(=O)c1cccc(Br)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1C(C(=O)[O-])CCN1C(=O)CNC(=O)c1cccc(Br)c1",
    "ref_smiles": "CC1C(C(=O)[O-])CCN1C(=O)CNC(=O)c1cccc(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "73f20506-3b55-43b6-a3c6-a9650115ea59",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(NC(=O)N2CC3CCCC3(C(=O)[O-])C2)c(Br)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)N2CC3CCCC3(C(=O)[O-])C2)c(Br)c1",
    "ref_smiles": "Cc1ccc(NC(=O)N2CC3CCCC3(C(=O)[O-])C2)c(S)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "a0f195a2-677d-472f-9c6b-8c9e18e07a8e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1cccc(CO)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cccc(CO)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1",
    "ref_smiles": "O=C(Nc1cccc(C=O)c1)C1CCN(c2ncc(C(F)(F)F)cc2)CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "b3bb0ea1-96b0-472d-8b99-d3de2277f490",
    "task": "sub",
    "question": "Modify the molecule CCCCCCCCCCCCCCCCCCN(C(=O)CCCCCCCCCCC)C1OC(CO)C(O)C(O)C1NC(=O)CNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCCCCCCCCCCN(C(=O)CCCCCCCCCCC)C1OC(CO)C(O)C(O)C1NC(=O)CNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1",
    "ref_smiles": "CCCCCCCCCCCCCCCCCCCN(C(=O)CCCCCCCCCCC)C1OC(CC#N)C(O)C(O)C1NC(=O)CNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "17375582-1dff-49fe-8661-ad9d3d9b4447",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)n1ccc(-c2cccc(Cl)c2)c1C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)n1ccc(-c2cccc(Cl)c2)c1C(=O)[O-]",
    "ref_smiles": "CC(C)n1ccc(-c2cccc(S)c2)c1C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "c7c1bd4c-5217-4abd-92ea-aa963c61a899",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)NC(=O)C(C)n1c(CCl)nc2cc(I)c(F)cc21 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)NC(=O)C(C)n1c(CCl)nc2cc(I)c(F)cc21",
    "ref_smiles": "CC(C)NC(=O)C(C)n1c(C[N+](=O)[O-])nc2cc(I)c(F)cc21",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "102df03d-0ac9-42b7-a610-eab13142ba0d",
    "task": "sub",
    "question": "Modify the molecule Cc1cccc(N)c1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(N)c1S(=O)(=O)N(C)Cc1ccc(Cl)cc1",
    "ref_smiles": "Cc1cccc(N)c1S(=O)(=O)N(C)Cc1ccc(C(=O)[OH])cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "d31c5247-bd46-4774-a7df-9b2c56816672",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1nn(C)c(CN(CC2CCCC[NH2+]2)C(C)C)c1Br with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1nn(C)c(CN(CC2CCCC[NH2+]2)C(C)C)c1Br",
    "ref_smiles": "CC(=O)c1c(CC)nn(C)c1CN(CC1CCCC[NH2+]1)C(C)C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "50db607e-f06c-4866-9251-d8414a91b945",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc2onc(CC(=O)Nc3cccc(Cl)c3)c2cc1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc2onc(CC(=O)Nc3cccc(Cl)c3)c2cc1C",
    "ref_smiles": "CC(=O)c1cccc(NC(=O)Cc2noc3cc(C)c(C)cc23)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "72f46cb8-4269-4942-8716-76cc32c7a21c",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCN1Cc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(C)c3)ccc2N(CC)C1=O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN1Cc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(C)c3)ccc2N(CC)C1=O",
    "ref_smiles": "CCN1Cc2cc(NC(=O)CC(C)CC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)ccc2N(CC)C1=O",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "81a84365-bf5e-4182-a375-b9c40f0be2fc",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(NC(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1)c1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1)c1ccccc1",
    "ref_smiles": "CC(NC(=O)c1cccc(C(=O)Nc2ccc(S)cc2)c1)c1ccccc1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "820fcede-c0cf-4937-a02c-745cf3f30480",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule C[NH+](C)CCNC(=NCC1CCC2C(O1)c1cc(C(F)(F)F)ccc1NC2C1C=CC=CC1)NC#N with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCNC(=NCC1CCC2C(O1)c1cc(C(F)(F)F)ccc1NC2C1C=CC=CC1)NC#N",
    "ref_smiles": "CC(=O)NC(=NCC1CCC2C(O1)c1cc(C(F)(F)F)ccc1NC2C1C=CC=CC1)NCC[NH+](C)C",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "4550984d-1356-4a65-808f-0e74edb48509",
    "task": "sub",
    "question": "Modify the molecule CCCCCCn1nnc(C(F)(F)C(F)(F)F)c1C(Cl)(Cl)C(Cl)(Cl)Cl by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCn1nnc(C(F)(F)C(F)(F)F)c1C(Cl)(Cl)C(Cl)(Cl)Cl",
    "ref_smiles": "CCCCCCn1nnc(C(F)([N+](=O)[O-])C(F)(F)F)c1C(Cl)(Cl)C(Cl)(Cl)Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "baafd737-742e-4748-bfe6-e5a2aabe8d73",
    "task": "sub",
    "question": "Modify the molecule CSCCC(C)N(C)c1ccc(CCl)cn1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSCCC(C)N(C)c1ccc(CCl)cn1",
    "ref_smiles": "CSCCC(C)N(C)c1ccc(CNO)cn1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "ab77f8ac-fea8-4846-8cce-7930e8d6a8a5",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1nc(F)ccc1C(Nc1cc(Cl)c2[nH+]cc(C#N)c(NCC(C)(C)C(F)(F)F)c2c1)c1nnn(C2(C)CC2)c1F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(F)ccc1C(Nc1cc(Cl)c2[nH+]cc(C#N)c(NCC(C)(C)C(F)(F)F)c2c1)c1nnn(C2(C)CC2)c1F",
    "ref_smiles": "Cc1nc(F)ccc1C(Nc1cc(Cl)c2[nH+]cc(S)c(NCC(C)(C)C(F)(F)F)c2c1)c1nnn(C2(C)CC2)c1F",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "d03d7cb0-e838-4d9a-bf1b-919c419a8995",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Cc2ccccc2Cl)CC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Cc2ccccc2Cl)CC1",
    "ref_smiles": "C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Cc2ccccc2O)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bf50db64-7f34-4eb1-bd14-d15ef19c7391",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCOc1ccc(Cl)cc1C(=O)N1CC2COCCC2(C(=O)[O-])C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCOc1ccc(Cl)cc1C(=O)N1CC2COCCC2(C(=O)[O-])C1",
    "ref_smiles": "COCCOc1ccc(NO)cc1C(=O)N1CC2COCCC2(C(=O)[O-])C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d51eaf5e-75b2-4387-8ada-57a881b64496",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)C(OC(=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)c2c(C)ccc(C(C)C)cc1-2 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)C(OC(=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)c2c(C)ccc(C(C)C)cc1-2",
    "ref_smiles": "Cc1cc(NC(=O)C(OC(=O)c2cccc(NO)c2)c2ccc(Cl)cc2)c2c(C)ccc(C(C)C)cc1-2",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "0b1113d6-2a22-4793-a36b-3afa6e0ae44d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1NC(=O)C2CCCN2C(=O)C(CC(=O)[O-])NC(=O)C(C(C)O)NC(=O)C(CC(=O)[O-])NC(=O)C(Cc2ccccc2)NC1=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1NC(=O)C2CCCN2C(=O)C(CC(=O)[O-])NC(=O)C(C(C)O)NC(=O)C(CC(=O)[O-])NC(=O)C(Cc2ccccc2)NC1=O",
    "ref_smiles": "CC1NC(=O)C2CCCN2C(=O)C(CC(=O)[O-])NC(=O)C(C(C)C(=O)[OH])NC(=O)C(CC(=O)[O-])NC(=O)C(Cc2ccccc2)NC1=O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d221afe8-58bc-4a06-8ee2-73bb3427e7d5",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OCc1nnc2ccc(F)cn12 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCc1nnc2ccc(F)cn12",
    "ref_smiles": "Fc1ccc2nnc(CS)n2c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "45343395-025a-45a8-b425-c005e204287d",
    "task": "sub",
    "question": "Modify the molecule CCCC(C)(CC)N([O-])C(C)(CC)CC(C)(O)CC by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C)(CC)N([O-])C(C)(CC)CC(C)(O)CC",
    "ref_smiles": "CCCC(C)(CC)N([O-])C(C)(CC)CC(C)(S)CC",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "87853ff5-28eb-4e3c-914c-2e8d4c7967d3",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC([NH2+]CCCCCCO)c1cccc(C#N)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH2+]CCCCCCO)c1cccc(C#N)c1",
    "ref_smiles": "CC([NH2+]CCCCCCO)c1cccc(O)c1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "72565e1f-b416-46a6-bf6a-303485209471",
    "task": "sub",
    "question": "Modify the molecule C[N+]1(C)C2CCC1(C#N)CC2 by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[N+]1(C)C2CCC1(C#N)CC2",
    "ref_smiles": "C[N+]1(C)C2CCC1(S)CC2",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "c00909bf-3f40-49a8-be2d-25eb989dc018",
    "task": "sub",
    "question": "Modify the molecule NC(=O)C1CCCCN1C(=O)c1c(F)cccc1Br by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)C1CCCCN1C(=O)c1c(F)cccc1Br",
    "ref_smiles": "NC(=O)C1CCCCN1C(=O)c1c(O)cccc1Br",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "ad1c13c9-9c2d-4413-b3f6-83b08b51aebd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCn1cc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)cn1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1cc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)cn1",
    "ref_smiles": "CC(=O)C(F)(F)c1cc(C[NH3+])cc(NC(=O)c2cnn(CC)c2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "884e3496-efd8-4f97-8f2a-07bdb35231db",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=S(=O)(c1ccncc1)C1CCN(S(=O)(=O)Cc2cccc(F)c2)C1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=S(=O)(c1ccncc1)C1CCN(S(=O)(=O)Cc2cccc(F)c2)C1",
    "ref_smiles": "N#Cc1cccc(CS(=O)(=O)N2CCC(S(=O)(=O)c3ccncc3)C2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "aa16d224-5c6e-4ab8-8b2f-fd865259f0fc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC([NH3+])Cc1cc(OCc2cncc(F)c2)ccc1Br with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH3+])Cc1cc(OCc2cncc(F)c2)ccc1Br",
    "ref_smiles": "CC([NH3+])Cc1cc(OCc2cncc(NO)c2)ccc1Br",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "910316d3-2730-4420-a72d-ae0b8f406dd7",
    "task": "sub",
    "question": "Modify the molecule CN1C(=O)CCC2(C)c3ccc(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3CCC12 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1C(=O)CCC2(C)c3ccc(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3CCC12",
    "ref_smiles": "CN1C(=O)CCC2(C)c3ccc(-c4cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c4)cc3CCC12",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bb3d5b1d-a7fa-44f0-a753-1d0806002159",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Clc1cccc(COc2nnc(Cl)c3ccccc23)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1cccc(COc2nnc(Cl)c3ccccc23)c1",
    "ref_smiles": "N#Cc1cccc(COc2nnc(Cl)c3ccccc23c2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "b1eae99a-8317-4dd8-82f6-db027dc9f34a",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1nc(-c2ccccc2)sc1CNc1cccc(F)c1C#N with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(-c2ccccc2)sc1CNc1cccc(F)c1C#N",
    "ref_smiles": "Cc1nc(-c2ccccc2)sc1CNc1cccc(F)c1S",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "cb3fd90b-9a7b-4d2a-b4e3-ae2a02c43b7a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(CCCSCCO)N1CCOCC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCCSCCO)N1CCOCC1",
    "ref_smiles": "ONCCSCCCC(=O)N1CCOCC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2e6b2458-8fc1-4a6b-ac92-ea63bfd5551c",
    "task": "sub",
    "question": "Modify the molecule CC(CS(C)(=O)=O)Nc1nc2ccc(Br)cc2s1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CS(C)(=O)=O)Nc1nc2ccc(Br)cc2s1",
    "ref_smiles": "CC(CS(C)(=O)=O)Nc1nc2ccc([N+](=O)[O-])cc2s1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "21bff697-ea6c-44f9-a7b8-429217fb1448",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH2+]C(Cc1c(F)ccc(Br)c1F)C1CCOC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(Cc1c(F)ccc(Br)c1F)C1CCOC1",
    "ref_smiles": "CC[NH2+]C(Cc1c(C(=O)[OH])ccc(Br)c1F)C1CCOC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e8370b88-6ba3-4b13-9431-bb0e1cf2e900",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC#CC#CC#CC#CC=CC(O)CO with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC#CC#CC#CC#CC=CC(O)CO",
    "ref_smiles": "CC#CC#CC#CC#CC=CC(CO)NO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4f9486bf-a2eb-4524-9014-e5295588d32b",
    "task": "sub",
    "question": "Modify the molecule CC1C2=CNN(c3ccc(F)cc3)C2=CC2=C1C(C(=O)N1CCC(S(=O)(=O)c3ccccc3)CC1)CC2 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1C2=CNN(c3ccc(F)cc3)C2=CC2=C1C(C(=O)N1CCC(S(=O)(=O)c3ccccc3)CC1)CC2",
    "ref_smiles": "CC1C2=CNN(c3ccc(O)cc3)C2=CC2=C1C(C(=O)N1CCC(S(=O)(=O)c3ccccc3)CC1)CC2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "71e3406f-3259-44b9-b5ea-4acc0f872196",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)N5CCCC(C)C5)cc4C)CC3)c2)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)N5CCCC(C)C5)cc4C)CC3)c2)cc1",
    "ref_smiles": "Cc1ccc(C(=O)Nc2ccc(NO)c(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)N5CCCC(C)C5)cc4C)CC3)c2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "601adcfc-d895-4742-97ab-32cda54369c2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(F)cc4F)ccc3C)CC2)ccc1Br with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(F)cc4F)ccc3C)CC2)ccc1Br",
    "ref_smiles": "CCCNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(C#N)cc4F)ccc3C)CC2)ccc1Br",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "99e332e5-4f1d-4f7c-8671-8ef7b51ea3cb",
    "task": "sub",
    "question": "Modify the molecule COc1cc(CCl)cc(Cl)c1OCc1c(C)cccc1C by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(CCl)cc(Cl)c1OCc1c(C)cccc1C",
    "ref_smiles": "COc1cc(CH2)cc(H)c1OCc1c(C)cccc1C=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "6b9d380a-cc14-4de1-af31-4e07936ebdd4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1",
    "ref_smiles": "Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3476a247-1dfc-4b9a-a016-91b37675e408",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C#CCN(CC(=O)[O-])C(=O)COc1ccc(C)cc1Br with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCN(CC(=O)[O-])C(=O)COc1ccc(C)cc1Br",
    "ref_smiles": "C#CCN(CC(=O)[O-])C(=O)COc1ccc(C)cc1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "965929d8-114c-4d89-918f-310e4cd74677",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(NCC1(O)CCC1)c1ccc(Oc2ccccc2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCC1(O)CCC1)c1ccc(Oc2ccccc2)cc1",
    "ref_smiles": "O=C(NCC1(C(=O)O)CCC1)c1ccc(Oc2ccccc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d8c205a5-1fbf-4b79-844f-7d6799003efd",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1cc(C)c(C#N)c(N2CC(C)[NH2+]CC2C)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)c(C#N)c(N2CC(C)[NH2+]CC2C)n1",
    "ref_smiles": "CC(=O)c1c(C)cc(C)nc1N1CC(C)[NH2+]CC1C",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "a0b6413e-2332-4e0a-8e08-5ff98a8c81b2",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule C[NH+]1CCCN(c2ccc(N)c(CC#N)c2)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]1CCCN(c2ccc(N)c(CC#N)c2)CC1",
    "ref_smiles": "C[NH+]1CCCN(c2ccc(N)c([N+](=O)[O-])c2)CC1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "614e9268-456f-46de-ac8f-4d93da6fc079",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C)n(C(C)C(=O)Nc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc2Cl)n1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)n(C(C)C(=O)Nc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc2Cl)n1",
    "ref_smiles": "Cc1cc(C)n(C(C)C(=O)Nc2ccc(NS(=O)(=O)c3cc(O)cc(F)c3)cc2Cl)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c3272b76-0f89-432f-9f89-4d2b78bb7e3c",
    "task": "sub",
    "question": "Modify the molecule O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(COc2ccc3ccccc3c2)o1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(COc2ccc3ccccc3c2)o1",
    "ref_smiles": "N#Cc1ccc(Cn2cc(Cl)c(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)n2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "01f18cb2-1235-45fc-974c-0b3593c796a2",
    "task": "sub",
    "question": "Modify the molecule CC1COC(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)(C(C)[NH+]2CN=CN2)O1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1COC(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)(C(C)[NH+]2CN=CN2)O1",
    "ref_smiles": "CC1COC(c2ccc(Oc3ccc(NO)cc3)cc2Cl)(C(C)[NH+]2CN=CN2)O1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e4cb2024-9c67-4d2d-b779-f094d859accc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(N2CCCCC2)cc[nH+]1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(N2CCCCC2)cc[nH+]1",
    "ref_smiles": "N#Cc1ccc(NC(=O)c2cc(N3CCCCC3)cc[nH+]2)c(C(F)(F)F)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "48faf308-5491-4540-b38e-59a9bfbe4416",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)(C)c1ccc(C(Cl)c2cccs2)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)(C)c1ccc(C(Cl)c2cccs2)cc1",
    "ref_smiles": "CCC(C)(C)c1ccc(C(O)c2cccs2)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "37b9c973-7f73-40dc-b828-4a3dc9588199",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NC1CC(=O)N(I)c2ccccc21)c1ccc2c(c1)CCC1(CCNC1=O)C2 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC1CC(=O)N(I)c2ccccc21)c1ccc2c(c1)CCC1(CCNC1=O)C2",
    "ref_smiles": "O=C(NC1CC(=O)NHc2ccc(CHO)cc21)c1ccc2c(c1)CCC1(CCNC1=O)C2",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "fea82d98-e656-4336-9c46-2c2ac5e607a7",
    "task": "sub",
    "question": "Please substitute a thiol in the molecule CCOC(=O)CC(S)C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)c1cc(C)on1)C(C)C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)CC(S)C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)c1cc(C)on1)C(C)C",
    "ref_smiles": "CCOC(=O)CC(C(=O)[OH])C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)c1cc(C)on1)C(C)C",
    "add_group": "carboxyl",
    "remove_group": "thiol"
  },
  {
    "id": "fbfb3ad4-41ed-4426-a431-eb206ef07c1a",
    "task": "sub",
    "question": "Modify the molecule COCC1CCC(CO)[NH+]1CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC1CCC(CO)[NH+]1CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21",
    "ref_smiles": "COCC1CCC(CC#N)[NH+]1CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5f384a0a-c790-49c6-9342-10612ad230bf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+]1CCC([NH+]2CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(C(F)(F)F)c4[nH]ncc4c3)CC2)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]1CCC([NH+]2CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(C(F)(F)F)c4[nH]ncc4c3)CC2)CC1",
    "ref_smiles": "C[NH+]1CCC([NH+]2CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(C#N)c4[nH]ncc4c3)CC2)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "53054c44-45ce-4801-9ec3-d0501467d9e1",
    "task": "sub",
    "question": "Modify the molecule Cc1c(Cl)cccc1NC(C)c1cc2c(s1)CCCC2 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(Cl)cccc1NC(C)c1cc2c(s1)CCCC2",
    "ref_smiles": "Cc1c(NC(C)c2cc3c(s2)CCCC3)cccc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "204ef75e-fae2-4f13-b208-f7d5111fec97",
    "task": "sub",
    "question": "Modify the molecule O=C(c1ccccc1)C(Br)CC[NH+]1CCC(=Cc2ccc(F)cc2)CC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(c1ccccc1)C(Br)CC[NH+]1CCC(=Cc2ccc(F)cc2)CC1",
    "ref_smiles": "O=C([OH])C(CC[NH+]1CCC(=Cc2ccc(F)cc2)CC1)C(=O)c1ccccc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "8644b97a-b804-49fa-b173-2cbd91670069",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cnc(CNC(=O)c2cc(-c3ncc(F)cc3F)cc(-n3nnnc3C(C)C)c2)cn1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cnc(CNC(=O)c2cc(-c3ncc(F)cc3F)cc(-n3nnnc3C(C)C)c2)cn1",
    "ref_smiles": "Cc1cnc(CNC(=O)c2cc(-c3ncc(S)cc3F)cc(-n3nnnc3C(C)C)c2)cn1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "f8c87cef-8f60-4de7-b4b9-e4b5eaf137f1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)N1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)N1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S",
    "ref_smiles": "CCC(C)N1C(=O)C(=Cc2ccc(OC(=O)c3ccc(C#N)cc3)cc2)SC1=S",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "202cbbd0-f4ec-4b20-bbde-b9070fdd39b7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(N(F)c1ccccc1F)N(F)C(F)(F)[Si]OCO with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(N(F)c1ccccc1F)N(F)C(F)(F)[Si]OCO",
    "ref_smiles": "O=C([OH])N(C(=O)N(F)C(F)(F)[Si]OCO)c1ccccc1F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "5a4c58ca-b2d3-43ad-94e3-cd539f5303d1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2cc3oc(=O)[nH]c3cc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2cc3oc(=O)[nH]c3cc21",
    "ref_smiles": "CC1C(=Cc2cc(C(C)(C)C)c(C#N)c(C(C)(C)C)c2)C(=O)c2cc3oc(=O)[nH]c3cc21",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "82590341-e7df-4423-9aae-c1b0324abf00",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OC1(Cn2cncn2)CCCCC1=C1C=CC(Cl)=CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC1(Cn2cncn2)CCCCC1=C1C=CC(Cl)=CC1",
    "ref_smiles": "O=C([OH])C1(Cn2cncn2)CCCCC1=C1C=CC(Cl)=CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "efa53f41-3d46-4e04-a445-bcf75962bc75",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)c1nn(CC(F)(F)F)c2c1CCc1[nH]nc(Nc3ccccc3)c1-2 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)c1nn(CC(F)(F)F)c2c1CCc1[nH]nc(Nc3ccccc3)c1-2",
    "ref_smiles": "CC(=O)C(F)(F)Cn1nc(C(N)=O)c2c1-c1c(Nc3ccccc3)n[nH]c1CC2",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f8971cf0-e94f-4b21-935e-ce5f8d1e5d58",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COCOCCC(C)CC(C)C(OCOCc1ccccc1)C(C)CC(C)CCO with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCOCCC(C)CC(C)C(OCOCc1ccccc1)C(C)CC(C)CCO",
    "ref_smiles": "COCOCCC(C)CC(C)C(OCOCc1ccccc1)C(C)CC(C)CCNO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7970ad4b-fd16-4681-97ac-da183b2639fc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1F with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1F",
    "ref_smiles": "CC(=O)C1CCCCN1S(=O)(=O)c1ccc(O)cc1F",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "47c80f33-6893-4710-aa23-977faa0b25c9",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)[O-]",
    "ref_smiles": "O=C(Cc1cc(F)cc(F)c1)NC(CCS)C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "1daa9b00-3948-4d7e-9e5d-d5d7e247ea73",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C)n(CCC(=O)Nc2ccnn2Cc2ccccc2Br)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)n(CCC(=O)Nc2ccnn2Cc2ccccc2Br)n1",
    "ref_smiles": "Cc1cc(C)n(CCC(=O)Nc2ccnn2Cc2ccccc2NO)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e16724d1-413e-47b7-8a48-5e4d44714e90",
    "task": "sub",
    "question": "Modify the molecule CCc1ccc(F)cc1-n1c(C=C(C)C)c(C(=O)N2CC[NH2+]CC2)cc(-c2nc(-c3ccc(C(F)(F)F)nc3)cs2)c1=O by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(F)cc1-n1c(C=C(C)C)c(C(=O)N2CC[NH2+]CC2)cc(-c2nc(-c3ccc(C(F)(F)F)nc3)cs2)c1=O",
    "ref_smiles": "CCc1ccc(C#N)cc1-n1c(C=C(C)C)c(C(=O)N2CC[NH2+]CC2)cc(-c2nc(-c3ccc(C(F)(F)F)nc3)cs2)c1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "82316a99-333c-4701-9cea-5d34db525c38",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(c1cc2c(s1)CCCC2)c1cc(F)c(Br)cc1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(c1cc2c(s1)CCCC2)c1cc(F)c(Br)cc1F",
    "ref_smiles": "O=C(c1cc(C=O)c2c(s1)CCCC2)c1cc(F)ccc1F",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cfcfedea-9399-4b73-8260-40b06fe31668",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cccc(N2CCC(F)(C(=O)[O-])C2)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(N2CCC(F)(C(=O)[O-])C2)c1",
    "ref_smiles": "COc1cccc(N2CCC(O)(C(=O)[O-])C2)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "fd23d902-cb98-4030-97b7-1628fade1c00",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(Br)ccc1NC(=O)CCn1cnc2ccccc21 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Br)ccc1NC(=O)CCn1cnc2ccccc21",
    "ref_smiles": "Cc1cc(S)ccc1NC(=O)CCn1cnc2ccccc21",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "1b1ef2f9-a00e-4cc4-a432-6eab47929b41",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1nn(C)c2c1[nH]c(=S)n2-c1ccc(I)cc1Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1nn(C)c2c1[nH]c(=S)n2-c1ccc(I)cc1Cl",
    "ref_smiles": "CCC(=O)c1nn(C)c2c1[nH]c(=S)n2-c1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "aaf06576-07a5-4f56-8fac-bbb5410afb54",
    "task": "sub",
    "question": "Modify the molecule O=C([O-])Cn1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])Cn1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1",
    "ref_smiles": "O=C([O-])Cn1cc(NS(=O)(=O)c2cccc(C(=O)[OH])c2Cl)cn1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b7a980a0-384f-4d43-92ac-aecfe5ee496c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1",
    "ref_smiles": "CCOC(=O)Cc1ccc(NC(=O)CN(c2ccc(O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bd9b4ceb-bfd5-4243-ab40-026be24034ad",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)NCC(C)C)c(Cl)c3)CC2)c(C)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)NCC(C)C)c(Cl)c3)CC2)c(C)c1",
    "ref_smiles": "CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)NCC(C)C)c(S)c3)CC2)c(C)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "efff4929-f4df-41ab-871a-762b9ca55ecd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1",
    "ref_smiles": "Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "c63d9322-eb17-4358-a167-0f0d238aef03",
    "task": "sub",
    "question": "Modify the molecule CCCCn1c(C(C)[NH+](Cc2ccccc2)Cc2ccc(O)cc2Cl)c[nH+]c1-c1cccc(F)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCn1c(C(C)[NH+](Cc2ccccc2)Cc2ccc(O)cc2Cl)c[nH+]c1-c1cccc(F)c1",
    "ref_smiles": "CCCCn1c(C(C)[NH+](Cc2ccccc2)Cc2ccc(O)cc2S)c[nH+]c1-c1cccc(F)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "08e8f558-246f-4c4b-8f4e-fdaf14f8df61",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)C(=O)C(Cc1cccc(C(F)(F)F)c1)NC(=O)c1ncn(-c2cc(Cl)c([O-])c(Cl)c2)n1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)C(=O)C(Cc1cccc(C(F)(F)F)c1)NC(=O)c1ncn(-c2cc(Cl)c([O-])c(Cl)c2)n1",
    "ref_smiles": "CC(C)(C)C(=O)C(Cc1cccc(C(F)(F)C#N)c1)NC(=O)c1ncn(-c2cc(Cl)c([O-])c(Cl)c2)n1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "261cba25-e964-49a8-8562-41c0f41bb292",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(NCCC(=O)N(CCO)C1CC1)c1ccoc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCCC(=O)N(CCO)C1CC1)c1ccoc1",
    "ref_smiles": "CC(=O)CCN(C(=O)CCNC(=O)c1ccoc1)C1CC1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b7786e94-4072-42cc-86ae-a9a8bd9a7fd0",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOc1ccc2c(c1)nc(CCCO)n2CCC(C)=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc2c(c1)nc(CCCO)n2CCC(C)=O",
    "ref_smiles": "CCOc1ccc2c(c1)nc(CCCC(=O)O)n2CCC(C)=O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c1b9fbd2-a5e9-4179-950b-23a873e78d94",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)C2c2cccc(OCCC)c2)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)C2c2cccc(OCCC)c2)cc1",
    "ref_smiles": "CC(=O)C1=C(c2ccc(OC)cc2OC)C(c2cccc(OCCC)c2)N(c2ccc(C(=O)OCCC)cc2)C1=O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "32416782-f093-41c6-9373-004caf0cc55b",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1ccc(C(=O)C(C#N)C(=O)C2CC2)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc(C(=O)C(C#N)C(=O)C2CC2)cc1",
    "ref_smiles": "O=[N+]([O-])c1ccc(C(=O)C(C#N)C(=O)C2CC2)cc1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "82bfdd0d-a850-4b16-816c-0906d0a147a1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(Cc1cccc(F)c1)N1CCC(O)C2(CCCO2)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cc1cccc(F)c1)N1CCC(O)C2(CCCO2)C1",
    "ref_smiles": "CC(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC12CCCO2",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "87f956c0-0cc2-480c-9a22-8dbe5eac90bb",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC([NH3+])C(CO)N(C)C(C)CC with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC([NH3+])C(CO)N(C)C(C)CC",
    "ref_smiles": "CCC([NH3+])C(CC(=O)[OH])N(C)C(C)CC",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "80e1355d-c505-4754-995d-d733e67787c3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCn1cncc1-c1nc(C)c(Br)c(Cl)n1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCn1cncc1-c1nc(C)c(Br)c(Cl)n1",
    "ref_smiles": "CCCn1cncc1-c1nc(C)c(O)c(Cl)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1d2274fc-ec23-4ac7-9e3a-7b87a9c6648f",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)S(=O)(=O)C1CC1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)S(=O)(=O)C1CC1",
    "ref_smiles": "CC(C)(C(=O)N1CCN(C(=O)c2ccc(S)cc2)CC1)S(=O)(=O)C1CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "d180715b-2a7c-4631-af4f-3989e1a36e29",
    "task": "sub",
    "question": "Modify the molecule CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1",
    "ref_smiles": "CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "2cc73cc9-76d6-4e09-8392-d81e13ab5b16",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(COC(=O)C2CCCC23NC(=O)NC3=S)c(Br)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(COC(=O)C2CCCC23NC(=O)NC3=S)c(Br)c1",
    "ref_smiles": "COc1ccc(COC(=O)C2CCCC23NC(=O)NC3=S)c(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "a9edf89e-b364-41bb-91ce-c63755a140db",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccc(OC)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccc(OC)cc1",
    "ref_smiles": "COCCOc1c(C=O)cccc1NC(=O)N(C)Cc1ccc(OC)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a91df5a9-58ae-4972-ade8-3aff4b0090a4",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(CC#N)N(C)C1=CC(=O)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CC#N)N(C)C1=CC(=O)CC1",
    "ref_smiles": "CC(CS)N(C)C1=CC(=O)CC1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "7613df75-3aa6-42d5-a652-2963f42b9c47",
    "task": "sub",
    "question": "Modify the molecule CC=CCN(C)c1cccc(C#N)c1 by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC=CCN(C)c1cccc(C#N)c1",
    "ref_smiles": "CC=CCN(C)c1cccc(C(=O)O)c1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "03846281-b9da-4d1f-a633-6825b43787f7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)cc2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)cc2)c1",
    "ref_smiles": "Cc1cccc(-c2nc(C(=O)Nc3ccccc3NO)nn2-c2ccc(Cl)cc2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "0544ebf7-68a9-4c7a-8348-a9426a482503",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NCC(C)C)cc(C)c1Br with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NCC(C)C)cc(C)c1Br",
    "ref_smiles": "Cc1cc(OCC(=O)N(Cc2c(Cl)cccc2C(=O)O)C(Cc2ccccc2)C(=O)NCC(C)C)cc(C)c1Br",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "92238714-c87e-4902-988e-e9406e1da29c",
    "task": "sub",
    "question": "Modify the molecule CC(C)C1CN(c2ccc(C[NH3+])c(C(F)(F)F)c2)C1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C1CN(c2ccc(C[NH3+])c(C(F)(F)F)c2)C1",
    "ref_smiles": "CC(C)C1CN(c2ccc(C[NH3+])c(C(F)(F)C#N)c2)C1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "12f8a584-b52c-493b-ae17-5d1be6b2ea3f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CN(C)c1ccc2c(c1)N(C)C(N=Nc1ccc(N3CCCC(O)C3)cc1)N2C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)c1ccc2c(c1)N(C)C(N=Nc1ccc(N3CCCC(O)C3)cc1)N2C",
    "ref_smiles": "CN(C)c1ccc2c(c1)N(C)C(N=Nc1ccc(N3CCCC(S)C3)cc1)N2C",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "76dc30ae-5fb8-421b-b783-2c7b57781b68",
    "task": "sub",
    "question": "Modify the molecule Cc1c(Cl)cccc1N(C(=O)C(Cl)(Cl)Cl)C1C=CS(=O)(=O)C1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(Cl)cccc1N(C(=O)C(Cl)(Cl)Cl)C1C=CS(=O)(=O)C1",
    "ref_smiles": "CC(=O)c1cccc(N(C(=O)C(Cl)(Cl)Cl)C2C=CS(=O)(=O)C2)c1C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e62d23f7-9fe8-40f9-88a9-66bd8077fb23",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)c1cc(Cl)c(OC)c(C)c1O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1cc(Cl)c(OC)c(C)c1O",
    "ref_smiles": "COC(=O)c1cc(S)c(OC)c(C)c1O",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "631b298b-3e2e-4ce6-9635-7e83b24b0554",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCCCCCCCCCCCCC(OC(=O)C(OC)(c1ccccc1)C(F)(F)F)C1(C(=O)OC)COC(C(C)(C)C)N1C=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCCCCCCCCCC(OC(=O)C(OC)(c1ccccc1)C(F)(F)F)C1(C(=O)OC)COC(C(C)(C)C)N1C=O",
    "ref_smiles": "CCCCCCCCCCCCCCCCCC(OC(=O)C(OC)(c1ccccc1)C(O)(F)F)C1(C(=O)OC)COC(C(C)(C)C)N1C=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "24d1ea68-97d8-44c4-893f-b1c190c02f81",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(c1cccc(Cl)c1F)N1CC2CC1C[NH+]2Cc1cccc(Nc2ccn[nH]2)n1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(c1cccc(Cl)c1F)N1CC2CC1C[NH+]2Cc1cccc(Nc2ccn[nH]2)n1",
    "ref_smiles": "O=C(c1cccc(O)c1F)N1CC2CC1C[NH+]2Cc1cccc(Nc2ccn[nH]2)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "62b129ff-49b8-476e-bfa5-78781c715c92",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C([NH3+])c2cccc(C(F)(F)F)c2)cc1C by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C([NH3+])c2cccc(C(F)(F)F)c2)cc1C",
    "ref_smiles": "Cc1ccc(C([NH3+])c2cccc(C(O)(F)F)c2)cc1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c2498f29-8fda-4268-9c41-b93005af2ad3",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(F)cc4)C(C)C)CC3)c2C)cc1F by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)c2cccc(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(F)cc4)C(C)C)CC3)c2C)cc1F",
    "ref_smiles": "Cc1ccc(NC(=O)c2cccc(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(C(=O)[OH])cc4)C(C)C)CC3)c2C)cc1F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f797fef3-741f-45b0-9278-36aa1667fb27",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccccc1C=CC(=O)Nc1cc(C)c(Cl)cc1OC with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1C=CC(=O)Nc1cc(C)c(Cl)cc1OC",
    "ref_smiles": "COc1ccccc1C=CC(=O)Nc1cc(C)c(NO)cc1OC",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "04f5102a-f659-4f0b-bb3e-36b98ee2b8d8",
    "task": "sub",
    "question": "Modify the molecule N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2cc3cc(Br)ccc3nc2Cl)nc1N by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2cc3cc(Br)ccc3nc2Cl)nc1N",
    "ref_smiles": "Nc1nc(-c2cc3cc(Br)ccc3nc2Cl)cc(-c2ccc(Cl)c(Cl)c2)c1S",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "43da74b4-d0bf-44a1-8e96-0304bda7ecc4",
    "task": "sub",
    "question": "Modify the molecule O=C([O-])Cc1nn2c(c1-c1ccc(F)cc1)CCC2 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])Cc1nn2c(c1-c1ccc(F)cc1)CCC2",
    "ref_smiles": "ONc1ccc(-c2c(CC(=O)[O-])nn3c2CCC3)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "fd1a4e92-0ba3-4e27-ba15-e9762ba18267",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(N(C(C)=O)C2CCCCCC2n2c(=O)c3c(C)onc3c3c(Cl)cccc32)cc(OC)c1OC with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(N(C(C)=O)C2CCCCCC2n2c(=O)c3c(C)onc3c3c(Cl)cccc32)cc(OC)c1OC",
    "ref_smiles": "COc1cc(N(C(C)=O)C2CCCCCC2n2c(=O)c3c(C)onc3c3c(NO2)cccc32)cc(OC)c1OC",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "aebb1880-2c23-45e9-992f-7a678cbf9cfc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCn1cc(C)c2c(Br)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1cc(C)c2c(Br)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c21",
    "ref_smiles": "CCn1cc(C)c2c(C#N)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fb575fdf-d6df-4374-9376-67af4889b351",
    "task": "sub",
    "question": "Modify the molecule N#Cc1ccc(NC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc(NC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1",
    "ref_smiles": "O=C([OH])c1ccc(NC(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "71557bdf-f383-44ec-b8db-53d62095dbcd",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CN(CCCOc1ccc(F)cc1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(CCCOc1ccc(F)cc1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1",
    "ref_smiles": "CN(CCCOc1ccc(F)cc1)C(=O)C1CCN(c2ccc(CHO)cn2)CC1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "b03e15f2-7777-4404-ae16-f02344ad1518",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOC(=O)C=C(O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C=C(O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C",
    "ref_smiles": "CC(=O)C(=CC(=O)OCC)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a34bcff8-f392-46c8-ad93-60d2545a1033",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])CCc1cccc(C(F)(F)F)c1C(F)F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CCc1cccc(C(F)(F)F)c1C(F)F",
    "ref_smiles": "O=C([O-])CCc1cccc(C(F)(F)S)c1C(F)F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4cf836b4-5082-4eb9-9d92-7b5728c79eb7",
    "task": "sub",
    "question": "Modify the molecule O=c1nc(-c2ccccc2)c(Br)c(-c2ccccc2)n1-c1ccccc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1nc(-c2ccccc2)c(Br)c(-c2ccccc2)n1-c1ccccc1",
    "ref_smiles": "O=C1N=C(-C2=CC=CC=C2)C(=O)C(-C2=CC=CC=C2)N1-C1=CC=CC=C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e3686aa9-b97f-4323-89a5-712a865b4a75",
    "task": "sub",
    "question": "Modify the molecule CC1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)c2)C1=O by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)c2)C1=O",
    "ref_smiles": "CC1CS(=O)(=O)N(c2ccc(C=O)c(C(=O)Nc3ccccc3C(F)(F)F)c2)C1=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "7f3bfb83-b76f-499c-8ed8-ea279452d272",
    "task": "sub",
    "question": "Please substitute a carboxyl in the molecule CCCCCCCCCCCCC1(CCCCCCCCC)C(C)=[N+](CCC(=O)O)c2ccc(OC)cc21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCCCCC1(CCCCCCCCC)C(C)=[N+](CCC(=O)O)c2ccc(OC)cc21",
    "ref_smiles": "CC(=O)CC[N+]1=C(C)C(CCCCCCCCC)(CCCCCCCCCCCC)c2cc(OC)ccc21",
    "add_group": "aldehyde",
    "remove_group": "carboxyl"
  },
  {
    "id": "b4948d3e-00a4-4c42-ac1c-d275dae757c7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCN(CCC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CCC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C",
    "ref_smiles": "CCN(CCC[NH2+]Cc1ccc(NO)c(F)c1)C(=O)OC(C)(C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5f8a00fe-0852-45cf-a461-0ac009204819",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1",
    "ref_smiles": "Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fb97dcbf-6b26-4c11-a1f3-dffd99de015d",
    "task": "sub",
    "question": "Modify the molecule O=C([O-])CCSCC(=O)c1ccc([N+](=O)[O-])cc1 by substituting a nitro with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CCSCC(=O)c1ccc([N+](=O)[O-])cc1",
    "ref_smiles": "O=C([O-])CCSCC(=O)c1ccc(I)cc1",
    "add_group": "halo",
    "remove_group": "nitro"
  },
  {
    "id": "cf6aacc3-56cd-4465-a0b6-f2c9c55ebe7d",
    "task": "sub",
    "question": "Modify the molecule COc1cc(Cl)c(C)cc1NCc1cn[nH]c1C by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(Cl)c(C)cc1NCc1cn[nH]c1C",
    "ref_smiles": "COc1cc(C#N)c(C)cc1NCc1cn[nH]c1C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "aea95a98-c1a4-46b7-88cd-e5b7784dd94f",
    "task": "sub",
    "question": "Modify the molecule FC(F)(F)c1cc(-c2ccc(Br)cc2)n(CC[NH+]2CCOCC2)n1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1cc(-c2ccc(Br)cc2)n(CC[NH+]2CCOCC2)n1",
    "ref_smiles": "FC(F)(S)c1cc(-c2ccc(Br)cc2)n(CC[NH+]2CCOCC2)n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "c58b1651-5bed-42d7-8fb1-2a96d34f296f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NC5CCCCC5CO)cc4)c23)cn1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NC5CCCCC5CO)cc4)c23)cn1",
    "ref_smiles": "Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NC5CCCCC5CBr)cc4)c23)cn1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "96b4c027-dcb9-4f2f-9639-36b64f2806c0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)CC(C)(OC)CC(C)C(=O)C(C)C2C(SCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)OC12C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)CC(C)(OC)CC(C)C(=O)C(C)C2C(SCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)OC12C",
    "ref_smiles": "CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)CC(C)(OC)CC(C)C(=O)C(C)C2C(SCCN(Cc3c(Cl)cncc3NO)c3ccc(OC)c(OC4CCCC4)c3)C(=O)OC12C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "a4245ad2-504b-427f-aef5-016a83f26f25",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CCOC(=O)C(C#N)c1ccc([N+](=O)[O-])cc1CN(C)C(=O)OCc1ccccc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C(C#N)c1ccc([N+](=O)[O-])cc1CN(C)C(=O)OCc1ccccc1",
    "ref_smiles": "CCOC(=O)C(C#N)c1ccc(I=O)cc1CN(C)C(=O)OCc1ccccc1",
    "add_group": "halo",
    "remove_group": "nitro"
  },
  {
    "id": "343e9497-6493-48d7-b138-c93aee5b2490",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccccc1C[NH+]1CCN2C(=O)C(CO)N(C)C(=O)C2C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1C[NH+]1CCN2C(=O)C(CO)N(C)C(=O)C2C1",
    "ref_smiles": "COc1ccccc1C[NH+]1CCN2C(=O)C(CNO)N(C)C(=O)C2C1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2424379d-797a-44c6-99ae-ce0aedd2d108",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cc(Cl)ccc1O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cc(Cl)ccc1O",
    "ref_smiles": "N#Cc1ccc(Cl)cc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ea4da524-1f5b-4de8-bae0-e2261468ae27",
    "task": "sub",
    "question": "Modify the molecule COCCC[NH2+]Cc1cccc(Cl)c1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCC[NH2+]Cc1cccc(Cl)c1",
    "ref_smiles": "COCCC[NH2+]Cc1cccc(O)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0dd33c4f-c35e-4e05-bfe8-95d4dab468fe",
    "task": "sub",
    "question": "Modify the molecule COCc1nc2n(n1)CC(NC(=O)Cn1ccc(C(F)F)n1)CC2 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCc1nc2n(n1)CC(NC(=O)Cn1ccc(C(F)F)n1)CC2",
    "ref_smiles": "COCc1nc2n(n1)CC(NC(=O)Cn1ccc(C(F)NO)n1)CC2",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "a4a81806-37b0-4f9b-a441-efd48f1135e7",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(N2C(=O)C(Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C by substituting a nitrile with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(N2C(=O)C(Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C",
    "ref_smiles": "Cc1ccc(N2C(=O)C(Cc3ccccc3C)SC2=C(O)C(=O)Nc2ccccc2)cc1C",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "dc303807-298e-4fd0-9913-0d5d408e57a3",
    "task": "sub",
    "question": "Modify the molecule O=C(NCc1ccc(F)cc1)Nc1cc2cnn(-c3ccc(F)cc3)c2cn1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCc1ccc(F)cc1)Nc1cc2cnn(-c3ccc(F)cc3)c2cn1",
    "ref_smiles": "O=C(NCc1ccc(S)cc1)Nc1cc2cnn(-c3ccc(F)cc3)c2cn1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "796dbdd6-8345-416f-8f38-7d4710e11b79",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CNC(=O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1ccccc1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1ccccc1C",
    "ref_smiles": "CC(=O)C(COc1ccccc1C)Cn1c(NCC(=O)NC)nc2c1c(=O)n(C)c(=O)n2C",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "663b8929-36ab-4d52-ba4b-b777e6c6f947",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(C)NC(C)(C#N)C1CC[NH2+]CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)NC(C)(C#N)C1CC[NH2+]CC1",
    "ref_smiles": "CC(C)NC(C)([N+](=O)[O-])C1CC[NH2+]CC1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "c8f664d6-9391-4442-8bd4-d8dca34e67c8",
    "task": "sub",
    "question": "Modify the molecule CC(C)n1cc2cc(Br)ccc2n1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)n1cc2cc(Br)ccc2n1",
    "ref_smiles": "CC(C)n1cc2cc(S)ccc2n1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "d75fad72-4e4c-432b-bdce-e52325cb185a",
    "task": "sub",
    "question": "Modify the molecule CC(C)Oc1ccc(C(O)c2ccc(Br)cn2)cc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)Oc1ccc(C(O)c2ccc(Br)cn2)cc1",
    "ref_smiles": "CC(C)Oc1ccc(C(Br)c2ccc(Br)cn2)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2aade303-5729-420d-8c7d-d425424bdd08",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]C1CSCC1Cc1ccc(F)c(F)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C1CSCC1Cc1ccc(F)c(F)c1",
    "ref_smiles": "C[NH2+]C1CSCC1Cc1ccc(NO)c(F)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "561997d2-7910-47f3-b679-1edfb96abd76",
    "task": "sub",
    "question": "Modify the molecule [NH3+]CC(CO)c1nc2ccccc2s1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CC(CO)c1nc2ccccc2s1",
    "ref_smiles": "[NH3+]CC(CI)c1nc2ccccc2s1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9212b9f0-0d2d-427d-ad33-8b48fd8792fd",
    "task": "sub",
    "question": "Modify the molecule Fc1ccc(C2CCC(CC[NH2+]CCC3CCC(c4ccc(F)cc4)O3)O2)cc1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(C2CCC(CC[NH2+]CCC3CCC(c4ccc(F)cc4)O3)O2)cc1",
    "ref_smiles": "ONc1ccc(C2CCC(CC[NH2+]CCC3CCC(c4ccc(F)cc4)O3)O2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "b3b45038-b655-4e92-a8ec-31bcb0a78ae3",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc32)n1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(Cl)cc1Nc1nncc(N2CCc3ccccc32)n1",
    "ref_smiles": "COc1ccc(O)cc1Nc1nncc(N2CCc3ccccc32)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "9ca94153-fa06-40a5-8df2-f5852cb5e268",
    "task": "sub",
    "question": "Modify the molecule CCNC(=O)NCC1CC1c1c(Cl)ccc2c1CC(CCCCc1ccccc1)O2 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(=O)NCC1CC1c1c(Cl)ccc2c1CC(CCCCc1ccccc1)O2",
    "ref_smiles": "CCNC(=O)NCC1CC1c1c(C(=O)O)ccc2c1CC(CCCCc1ccccc1)O2",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f48e621b-be67-432a-a9bd-db6b507dfb8a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(CC(C)=CC=CC(OC)C2(ON)CC(C(C)OC(C)(C)C(CC=O)OC(=O)C(C)N(C)C(=O)CONC(=O)OCC3c4ccccc4-c4ccccc43)OC(=O)N2)ccc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(CC(C)=CC=CC(OC)C2(ON)CC(C(C)OC(C)(C)C(CC=O)OC(=O)C(C)N(C)C(=O)CONC(=O)OCC3c4ccccc4-c4ccccc43)OC(=O)N2)ccc1Cl",
    "ref_smiles": "COc1cc(CC(C)=CC=CC(OC)C2(ON)CC(C(C)OC(C)(C)C(CC=O)OC(=O)C(C)N(C)C(=O)CONC(=O)OCC3c4ccccc4-c4ccccc43)OC(=O)N2)ccc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3d4fcb0a-8ba1-4a41-8e0e-da54b7c96c05",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(O)Cn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cc(C)nc(C)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(O)Cn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cc(C)nc(C)n1",
    "ref_smiles": "O=CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cc(C)nc(C)n1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "24a4e495-391f-42b1-a55a-a7a424c6af38",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc21 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc21",
    "ref_smiles": "O=C(C1CC1)N1CCc2cc(O)c(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc21",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "83415959-5ae9-4abb-91aa-cb5a810b6501",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2)c1",
    "ref_smiles": "CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NO)cc2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "3cdce90b-2df9-4225-bb85-0882db448ab1",
    "task": "sub",
    "question": "Modify the molecule CCCn1cc(NCc2csc([N+](=O)[O-])c2)ccc1=O by substituting a nitro with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCn1cc(NCc2csc([N+](=O)[O-])c2)ccc1=O",
    "ref_smiles": "CCCn1cc(NCc2csc([SH]=O)c2)ccc1=O",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "28e79be0-8c8c-4883-aeaf-8dd565d85c02",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1",
    "ref_smiles": "CC(NS(=O)(=O)c1cc(O)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "7775d0f5-9873-4d3c-afb8-187ff2c86274",
    "task": "sub",
    "question": "Modify the molecule CCNC(=NCc1ccc(F)c(Cl)c1)N[NH3+] by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(=NCc1ccc(F)c(Cl)c1)N[NH3+]",
    "ref_smiles": "CCNC(=NCc1ccc([N+](=O)[O-])c(Cl)c1)N[NH3+]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "96259848-3b41-4620-b7cb-e8cc9c5315f3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCC(C)O[P+]([O-])(Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)OC(C)CCC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C)O[P+]([O-])(Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)OC(C)CCC",
    "ref_smiles": "CCCC(C)O[P+]([O-])(Oc1ccc2c(=O)c(-c3ccc(C#N)cc3)coc2c1)OC(C)CCC",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ab5ff807-c833-41e3-ae40-277e757acec8",
    "task": "sub",
    "question": "Modify the molecule CCN(CC1CCCO1)c1cccc(F)c1CCl by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC1CCCO1)c1cccc(F)c1CCl",
    "ref_smiles": "CCN(CC1CCCO1)c1cccc(NO)c1CCl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6602ac11-1d1c-42d6-a035-a6353f216dd2",
    "task": "sub",
    "question": "Modify the molecule CCC1CCC(O)(c2ccc(OC)c(Br)c2OC)CC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCC(O)(c2ccc(OC)c(Br)c2OC)CC1",
    "ref_smiles": "CCC1CCC(O)(c2ccc(OC)c(C#N)c2OC)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fd34dc5e-bb2f-41be-b1c3-10c793e9ef3d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)(C)OC(=O)N1CCC2=C(CCC(CO)=C2)C1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)N1CCC2=C(CCC(CO)=C2)C1",
    "ref_smiles": "CC(C)(C)OC(=O)N1CCC2=C(CCC(CS)=C2)C1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bd5ff72f-2ae0-450c-9bfd-97da986af368",
    "task": "sub",
    "question": "Modify the molecule COc1cccc(CNc2ccc(C#N)cc2Cl)c1OC by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(CNc2ccc(C#N)cc2Cl)c1OC",
    "ref_smiles": "COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1OC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "1b798d56-6e8c-4fa4-8050-1c9359f2847c",
    "task": "sub",
    "question": "Modify the molecule CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(F)c2)s1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(F)c2)s1",
    "ref_smiles": "CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(NO)c2)s1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "65421183-a4cf-4390-a0a6-0356ddcf76bd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]C(c1ccccc1C1CCC1)C1CCC(F)(F)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C(c1ccccc1C1CCC1)C1CCC(F)(F)CC1",
    "ref_smiles": "[NH3+]C(c1ccccc1C1CCC1)C1CCC(F)(S)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e879935b-a135-444e-8184-f440b97fc030",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NC1CCc2cn[nH]c2C1)NC1CCOc2ccc(F)cc21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC1CCc2cn[nH]c2C1)NC1CCOc2ccc(F)cc21",
    "ref_smiles": "O=C(NC1CCc2cn[nH]c2C1)NC1CCOc2ccc(C=O)cc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e245b5e9-725b-4d19-9105-b4bbdc635cd2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCCc1[nH+]ccn1C(F)F)NCCc1[nH+]ccn1C(F)F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCCc1[nH+]ccn1C(F)F)NCCc1[nH+]ccn1C(F)F",
    "ref_smiles": "O=C(NCCc1[nH+]ccn1C(F)F)NCCc1[nH+]ccn1C(F)C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f9360b75-70ef-42c1-b14c-a93d96524ca8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(C[NH3+])c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(C[NH3+])c1",
    "ref_smiles": "Cn1ncc(NO)c1S(=O)(=O)Nc1cccc(C[NH3+])c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "27be0d57-098d-4587-b967-7021f6c29713",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)C(NC(=O)CNC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CCCC[NH3+])C(=O)[O-] with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)C(NC(=O)CNC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CCCC[NH3+])C(=O)[O-]",
    "ref_smiles": "CC(=O)C(NC(=O)CNC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CCCC[NH3+])C(=O)[O-]",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bcb48cbb-3a61-49b1-a0cb-fdffe9c94fb1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OCCNc1nc(NC2CCCCC2)cc(C2CCOC2)n1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCCNc1nc(NC2CCCCC2)cc(C2CCOC2)n1",
    "ref_smiles": "FCCNc1nc(NC2CCCCC2)cc(C2CCOC2)n1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "72fb8233-a3c5-4e4a-b7ff-63d944e1a748",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(c2ccccc2)c2cccs2)C1=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(c2ccccc2)c2cccs2)C1=O",
    "ref_smiles": "CC1(c2ccccc2O)NC(=O)N(CC(=O)NC(c2ccccc2)c2cccs2)C1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "f88fb02b-7651-4f19-8bfa-e28f7151f838",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C(=O)N2CCOC(C)C2C)ccc1F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)N2CCOC(C)C2C)ccc1F",
    "ref_smiles": "Cc1cc(C(=O)N2CCOC(C)C2C)ccc1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "17d29e1e-f769-471a-ad91-09a13916ee6e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=Cc1ccc(COC2CCC3C(=O)C(c4ccc(Cl)cc4)=COC3C2)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=Cc1ccc(COC2CCC3C(=O)C(c4ccc(Cl)cc4)=COC3C2)cc1",
    "ref_smiles": "C=Cc1ccc(COC2CCC3C(=O)C(c4ccc(NO)cc4)=COC3C2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "ca04013b-62e6-44b0-8bf2-3f9748403d52",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(O)(C[NH+]=C(N)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)(C[NH+]=C(N)Nc1ccc(OC(F)(F)F)cc1)c1cccs1",
    "ref_smiles": "CC(O)(C[NH+]=C(N)Nc1ccc(OC(O)(F)F)cc1)c1cccs1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "f3189ef8-bc9a-4d77-b5e1-760dde49577c",
    "task": "sub",
    "question": "Modify the molecule Cc1nc(Cl)nc(NC2CCCC(C)CC2)c1N by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(Cl)nc(NC2CCCC(C)CC2)c1N",
    "ref_smiles": "Cc1nc([N+](=O)[O-])nc(NC2CCCC(C)CC2)c1N",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "65bb5f8f-12ea-4146-8e16-811d1ed02073",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(Cl)cn1)c1ccc(F)cc1Br with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(Cl)cn1)c1ccc(F)cc1Br",
    "ref_smiles": "O=C(Nc1ccc(S)cn1)c1ccc(F)cc1Br",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "abb1e1b0-feca-4d02-8d8f-d864595d8bf6",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCCCCCCCC=CCCCCC(O)C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCCCCC=CCCCCC(O)C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC",
    "ref_smiles": "CCCCCCCCCCCCC=CCCCCC(NO)C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "11453a71-2e24-4ff6-bcf9-dac6eb27a18b",
    "task": "sub",
    "question": "Modify the molecule O=C([O-])c1ccc(Nc2ccc(Cl)c3cccnc23)cc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1ccc(Nc2ccc(Cl)c3cccnc23)cc1",
    "ref_smiles": "O=C([O-])c1ccc(Nc2ccc(C=O)c3cccnc23)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a19c06b5-b0bc-4dee-a36f-562f138ea930",
    "task": "sub",
    "question": "Modify the molecule COC(=O)c1ccc(F)cc1OCC(C)(C)C[NH+]1CCC2(CC1)Cc1cc(Cl)ccc1O2 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1ccc(F)cc1OCC(C)(C)C[NH+]1CCC2(CC1)Cc1cc(Cl)ccc1O2",
    "ref_smiles": "COC(=O)c1ccc(C#N)cc1OCC(C)(C)C[NH+]1CCC2(CC1)Cc1cc(Cl)ccc1O2",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "0a335bda-0d4a-4d98-8b82-21e84e9d33a5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)C1CC(=O)N(Cc2sccc2Br)C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)C1CC(=O)N(Cc2sccc2Br)C1",
    "ref_smiles": "CC(C)C1CC(=O)N(Cc2sccc2NO)C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f6950de3-a716-4045-bbd0-ef3b82c3845f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COC1OC(COC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C(OCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C1OCc1ccccc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC1OC(COC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C(OCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C1OCc1ccccc1",
    "ref_smiles": "CC(=O)C1C(OCC2OC(OC)C(OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3O)C2OCc2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "17d3ae79-0071-40cf-be6d-81c33a7af534",
    "task": "sub",
    "question": "Modify the molecule O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(N2CCCCCC2)cc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(N2CCCCCC2)cc1",
    "ref_smiles": "O=C(C[NH+]1CCC(C(=O)Nc2ccccc2I)CC1)Nc1ccc(N2CCCCCC2)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "60ab80b7-9491-4ae6-9b19-02ac045d58d9",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1csc(SCC(=O)Nc2c(C#N)c3c(n2CC2CCCO2)CCCC3)n1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1csc(SCC(=O)Nc2c(C#N)c3c(n2CC2CCCO2)CCCC3)n1",
    "ref_smiles": "Cc1csc(SCC(=O)Nc2c(S)c3c(n2CC2CCCO2)CCCC3)n1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "b08a6934-2491-4e87-a6e1-5b5051ee7514",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C([O-])C1CCCN(C(=O)c2ccncc2O)C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])C1CCCN(C(=O)c2ccncc2O)C1",
    "ref_smiles": "O=C([O-])C1CCCN(C(=O)c2cc([N+](=O)[O-])nccc2)C1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7e49fdc8-3e41-477a-9f2e-6ab5e9ddbfbf",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCC(CCOBC1C=C2CCC3CC1CC23)CC(O)N1CC[NH2+]CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(CCOBC1C=C2CCC3CC1CC23)CC(O)N1CC[NH2+]CC1",
    "ref_smiles": "CCCC(CCOBC1C=C2CCC3CC1CC23)CC(C(=O)[OH])N1CC[NH2+]CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "dc08da04-0d9b-46be-90a0-bf8719f92335",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)C([NH3+])COC(C)C(F)(F)F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)C([NH3+])COC(C)C(F)(F)F",
    "ref_smiles": "CCC(C)C([NH3+])COC(C)C(F)(F)S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "b532a19a-c85d-485d-b9d4-0be4981d0365",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C[NH2+]Cc1ccc(I)cc1)N1CCCC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C[NH2+]Cc1ccc(I)cc1)N1CCCC1",
    "ref_smiles": "CC(C[NH2+]Cc1ccc(S)cc1)N1CCCC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e24d81cf-a341-46a7-867c-e51a0e95d466",
    "task": "sub",
    "question": "Modify the molecule Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(O)c1ccccc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(O)c1ccccc1",
    "ref_smiles": "Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(F)c1ccccc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "652eff7f-0461-425a-a105-0905ca4c37c0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cl)c1cc2ccccc2cc1Oc1nc(Nc2ccc3ccccc3c2)nc(Oc2cc3ccccc3cc2C(=O)Cl)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cl)c1cc2ccccc2cc1Oc1nc(Nc2ccc3ccccc3c2)nc(Oc2cc3ccccc3cc2C(=O)Cl)n1",
    "ref_smiles": "O=C([OH])C(=O)c1cc2ccccc2cc1Oc1nc(Nc2ccc3ccccc3c2)nc(Oc2cc3ccccc3cc2C(=O)Cl)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "1171d03d-6313-4639-806a-01c24f4522d2",
    "task": "sub",
    "question": "Modify the molecule CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCNC(=O)C2 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCNC(=O)C2",
    "ref_smiles": "CC(C)(NC(=O)c1ccc(O)s1)C(=O)Nc1ccc2c(c1)CCNC(=O)C2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bf002d27-00f5-455d-ab36-9320def7fc0c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)c1nc2c(Cl)ccc(C(=O)[O-])c2o1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1nc2c(Cl)ccc(C(=O)[O-])c2o1",
    "ref_smiles": "CC(C)(C)c1nc2c(C#N)ccc(C(=O)[O-])c2o1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "217d1fec-9980-411d-a179-f52a42ad4eac",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(=O)NCC(C)C)C(C)C)CC2)cccc1C(=O)N1CCCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(=O)NCC(C)C)C(C)C)CC2)cccc1C(=O)N1CCCC1",
    "ref_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(O)cc3C(=O)NCC(C)C)C(C)C)CC2)cccc1C(=O)N1CCCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1aa362e2-1faf-46ac-aa9c-fcb9fe1a96ee",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nsc(NS(=O)(=O)c2ccc3nc(Cl)ccc3c2)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nsc(NS(=O)(=O)c2ccc3nc(Cl)ccc3c2)n1",
    "ref_smiles": "CC(=O)c1ccc2cc(S(=O)(=O)Nc3nc(C)ns3)ccc2n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e341b77b-a498-4f86-b823-597acb426b48",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(C)c(-c2nnc(CCO)o2)cc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C)c(-c2nnc(CCO)o2)cc1Cl",
    "ref_smiles": "COc1cc(C)c(-c2nnc(CCO)o2)cc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a93dc1ec-2bd4-4e6b-9129-8fb5529c9485",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COCC(O)C(COC)OC(=O)N=[N+]=[N-] with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC(O)C(COC)OC(=O)N=[N+]=[N-]",
    "ref_smiles": "COCC(F)C(COC)OC(=O)N=[N+]=[N-]",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "80e9acf3-0386-483e-8bd7-de9a69933722",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(C)cc(Oc2cccc(CO)n2)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)cc(Oc2cccc(CO)n2)c1",
    "ref_smiles": "Cc1cc(C)cc(Oc2cccc(CC#N)n2)c1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b540a3b0-5d2a-4c7d-904b-fde2ead1fcf3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(NC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(F)(F)COc1ccccc1)C(=O)OCc1ccccc1CO[N+](=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(F)(F)COc1ccccc1)C(=O)OCc1ccccc1CO[N+](=O)[O-]",
    "ref_smiles": "CC(NC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(F)(C(=O)O)COc1ccccc1)C(=O)OCc1ccccc1CO[N+](=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "0062f874-8fd3-4086-85c1-fefb83bc0158",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCOCC5)c4C)CC3)c2C)cc1F by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCOCC5)c4C)CC3)c2C)cc1F",
    "ref_smiles": "Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCOCC5)c4C)CC3)c2C)cc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a4cfe805-a100-4cf1-a87a-242dff8032b3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(CC1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CC1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)O",
    "ref_smiles": "CC(CC1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)F",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "039b3553-6dd4-43f4-8466-7d1e680376e3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)CC([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-] with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-]",
    "ref_smiles": "CC(C)CC([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccc(F)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-]",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d36bd59f-a500-4461-8716-506e91c7fcf4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(Nc1c(Nc2cc(F)cc(F)c2)c(=O)c1=O)c1cccc2ccccc12 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Nc1c(Nc2cc(F)cc(F)c2)c(=O)c1=O)c1cccc2ccccc12",
    "ref_smiles": "CC(Nc1c(Nc2cc(F)cc(NO)c2)c(=O)c1=O)c1cccc2ccccc12",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1c6ec9eb-0fcd-4fb7-9663-809bb877ed3d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(=O)OC1C(CO[P+](=S)Oc2ccccc2)OC(n2ccc(=O)[nH]c2=O)C1(C)O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)OC1C(CO[P+](=S)Oc2ccccc2)OC(n2ccc(=O)[nH]c2=O)C1(C)O",
    "ref_smiles": "CCC(=O)OC1C(CO[P+](=S)Oc2ccccc2)OC(n2ccc(=O)[nH]c2=O)C1(C)C#N",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4e126e7d-9aad-4b93-8236-7d054d7d47c2",
    "task": "sub",
    "question": "Modify the molecule N#CC(C#N)=C(C#N)c1ccc(-c2cc(-c3cc(-c4ccc(C(C#N)=C(C#N)C#N)s4)sc3-c3ccc(C(C#N)=C(C#N)C#N)s3)c(-c3ccc(C(C#N)=C(C#N)C#N)s3)s2)s1 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC(C#N)=C(C#N)c1ccc(-c2cc(-c3cc(-c4ccc(C(C#N)=C(C#N)C#N)s4)sc3-c3ccc(C(C#N)=C(C#N)C#N)s3)c(-c3ccc(C(C#N)=C(C#N)C#N)s3)s2)s1",
    "ref_smiles": "N#CC(C#N)=C(C#N)c1ccc(-c2cc(-c3cc(-c4ccc(C(C#N)=C(C#N)NO)s4)sc3-c3ccc(C(C#N)=C(C#N)C#N)s3)c(-c3ccc(C(C#N)=C(C#N)C#N)s3)s2)s1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "6dafc86f-ffbb-4de0-8cf5-e30e63a8cb5f",
    "task": "sub",
    "question": "Modify the molecule C#CCNC(=O)C(C#N)=c1sc(=CNc2cccc(N3CCOCC3)n2)c(=O)n1CC by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCNC(=O)C(C#N)=c1sc(=CNc2cccc(N3CCOCC3)n2)c(=O)n1CC",
    "ref_smiles": "C#CCNC(=O)C(S)=c1sc(=CNc2cccc(N3CCOCC3)n2)c(=O)n1CC",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "ebaafe7e-45c2-4c0c-bdc0-9b92c6a67703",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cc1ccc(F)cc1)N(CCc1cccs1)Cc1ccco1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cc1ccc(F)cc1)N(CCc1cccs1)Cc1ccco1",
    "ref_smiles": "O=C([OH])c1ccc(CC(=O)N(CCc2cccs2)Cc2ccco2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "bfdf8dbc-e340-45ce-8b5d-16ab70fd3c5c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccnc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccnc1",
    "ref_smiles": "O=C(Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccnc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "8516e600-801c-4bca-80cc-cd6bfc6d3c41",
    "task": "sub",
    "question": "Modify the molecule COC(=O)COc1ccc(O)c(C=O)c1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)COc1ccc(O)c(C=O)c1",
    "ref_smiles": "CC(=O)c1ccc(OCC(=O)OC)cc1C=O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d75d00ad-f0e5-47b9-8b5e-9efd35abd458",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCCCCCCCCCCCCCOS(=O)(=O)N(CCCCCCCCCCCCCCCCCC)c1c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCCCCCCCCCCOS(=O)(=O)N(CCCCCCCCCCCCCCCCCC)c1c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c1Cl",
    "ref_smiles": "CCCCCCCCCCCCCCCCCCOS(=O)(=O)N(CCCCCCCCCCCCCCCCCC)c1c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "6f72f156-851a-40ba-8aa1-d2ca775dac56",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COCC([NH3+])CCNC(=O)c1ccc(O)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC([NH3+])CCNC(=O)c1ccc(O)cc1",
    "ref_smiles": "COCC([NH3+])CCNC(=O)c1ccc(C(=O)[OH])cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9b394ce5-348b-46cf-b66d-0281f695503f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)CC2)cc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)CC2)cc1Cl",
    "ref_smiles": "CNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)CC2)cc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "261591d9-9aa0-48cb-8af6-4e8d02f6be2d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(CCC(F)(F)F)c1c(F)cccc1C=CC(=O)[O-] with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(CCC(F)(F)F)c1c(F)cccc1C=CC(=O)[O-]",
    "ref_smiles": "CN(CCC(F)(F)F)c1c(C=O)cccc1C=CC(=O)[O-]",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "12ec75b2-f6b6-4065-87fa-927440721791",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(Oc2ncc(Br)cc2Cl)ccc1C(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Oc2ncc(Br)cc2Cl)ccc1C(C)C",
    "ref_smiles": "Cc1cc(Oc2ncc(NO)cc2Cl)ccc1C(C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "2bb0bd4b-ba55-45bd-8cac-c4c536ebcc0b",
    "task": "sub",
    "question": "Modify the molecule CCOC(C)OC(C)(C)C(F)CCO by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(C)OC(C)(C)C(F)CCO",
    "ref_smiles": "CCOC(C)OC(C)(C)C(F)CCC(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "442ae5a7-e1e6-40d3-b143-f3d13211a890",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCc1cc(C(C)(CC)c2ccc(-c3cccs3)s2)sc1-c1cc(CCCCCC)c(C(C)(Br)CC)s1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCc1cc(C(C)(CC)c2ccc(-c3cccs3)s2)sc1-c1cc(CCCCCC)c(C(C)(Br)CC)s1",
    "ref_smiles": "CCCCCCc1cc(C(C)(CC)c2ccc(-c3cccs3)s2)sc1-c1cc(CCCCCC)c(C(C)(O)CC)s1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "d5cdf15f-b140-4c73-b8a2-35b6017bea3d",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#CC1=NCC=C(Br)c2ccccc21 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC1=NCC=C(Br)c2ccccc21",
    "ref_smiles": "SC1=NCC=C(Br)c2ccccc21",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "2f62738f-aedf-4e34-92b0-f5bd50e13a49",
    "task": "sub",
    "question": "Modify the molecule CCCN1C(=O)COc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc21 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN1C(=O)COc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc21",
    "ref_smiles": "CCCN1C(=O)COc2ccc(NC(=O)CCC(=O)c3ccc(C=O)cc3)cc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "51280355-2ef1-40ca-9cf1-9406f7b7329e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C[NH+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C2CC2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C[NH+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C2CC2)cc1",
    "ref_smiles": "COc1ccc(C[NH+](CN2C(=O)c3cc(Cl)c(C#N)cc3C2=O)C2CC2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "c2238a90-dec0-434e-b176-2df1940baf4c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1cc(C(F)(F)F)ccc1OCCc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1OCCc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1O",
    "ref_smiles": "CC(=O)C(F)(F)c1ccc(OCCc2ccc(OC(F)(F)F)cc2)c(NC(=O)c2cc(Cl)ccc2O)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ad5b35c2-fcbc-481c-b299-432384ef9022",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCC(C)CC1CCC(C)C1Sc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1N(C)C with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC(C)CC1CCC(C)C1Sc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1N(C)C",
    "ref_smiles": "COCC(C)CC1CCC(C)C1Sc1cc(C(=O)Nc2cc(O)c(F)c(F)c2)ccc1N(C)C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "0436c4d1-6d66-4d9f-b636-15881c7bb42b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccnn1COc1ccc(Cl)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccnn1COc1ccc(Cl)cc1",
    "ref_smiles": "O=C([OH])c1ccc(OCn2nccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "80f586eb-a71c-4cb2-b6fe-cdacbf143bd4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(c1ccc(F)cc1F)[NH+]1CCN(C(NCCNC(=O)C(C)C)=[NH+]C)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(c1ccc(F)cc1F)[NH+]1CCN(C(NCCNC(=O)C(C)C)=[NH+]C)CC1",
    "ref_smiles": "CC(=O)c1ccc(C(CC)[NH+]2CCN(C(NCCNC(=O)C(C)C)=[NH+]C)CC2)c(F)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "dae17198-e6ae-4bf7-b838-dae752ae9160",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC[NH2+]C(COC(C)C)c1cccc(C)c1Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH2+]C(COC(C)C)c1cccc(C)c1Cl",
    "ref_smiles": "CC(=O)c1c(C)cccc1C(COC(C)C)[NH2+]CCC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "dc51c0c0-f7ac-4ed4-bfb8-7f4ba9721406",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)OC(=O)NCCC1(F)CC[NH2+]CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)NCCC1(F)CC[NH2+]CC1",
    "ref_smiles": "CC(=O)C1(CCNC(=O)OC(C)(C)C)CC[NH2+]CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "b7b66f45-1889-42af-9d20-8dc2d88acc1e",
    "task": "sub",
    "question": "Modify the molecule CCC1COC(C)CN1c1ccc(CBr)cn1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1COC(C)CN1c1ccc(CBr)cn1",
    "ref_smiles": "CCC1COC(C)CN1c1ccc(CC(=O)O)cn1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "65e6e066-cfc9-4449-9287-2efabf0285d0",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)c1ncn(-c2cc(C(=O)OC)c(N)cc2C(F)(F)F)n1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1ncn(-c2cc(C(=O)OC)c(N)cc2C(F)(F)F)n1",
    "ref_smiles": "CCOC(=O)c1ncn(-c2cc(C(=O)OC)c(N)cc2C(F)(F)C#N)n1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "97f49765-66c9-41f9-b61e-44a1cfbaa164",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)N(CC1CCC[NH2+]1)C(=O)c1ccc(F)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N(CC1CCC[NH2+]1)C(=O)c1ccc(F)cc1",
    "ref_smiles": "CC(C)N(CC1CCC[NH2+]1)C(=O)c1ccc(C=O)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "1242f046-0444-42e6-945b-38ce1ff71833",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])c1ccc(F)c(C[NH2+]Cc2cc(F)ccc2Br)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1ccc(F)c(C[NH2+]Cc2cc(F)ccc2Br)c1",
    "ref_smiles": "O=C([O-])c1ccc(C=O)c(C[NH2+]Cc2cc(F)ccc2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "3766ae31-8bc6-436d-88de-aac2a6549a0b",
    "task": "sub",
    "question": "Modify the molecule C[NH+](Cn1ccc(Br)n1)C1CCC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](Cn1ccc(Br)n1)C1CCC1",
    "ref_smiles": "C[NH+](Cn1ccc(C#N)n1)C1CCC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "590d3e9a-21de-45cb-b09a-809881b35155",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(CNC(=O)N1CC(=O)NC2CCCCC21)Oc1ccc(F)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CNC(=O)N1CC(=O)NC2CCCCC21)Oc1ccc(F)cc1",
    "ref_smiles": "CC(CNC(=O)N1CC(=O)NC2CCCCC21)Oc1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "b38d982b-780d-4f61-9515-8b560fbead00",
    "task": "sub",
    "question": "Please substitute a halo in the molecule ClCc1cc(I)c2ncc(Cl)cc2c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "ClCc1cc(I)c2ncc(Cl)cc2c1",
    "ref_smiles": "O=C(O)Cc1cc(I)c2ncc(Cl)cc2c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "8c7848a9-ef47-4be4-9112-3c077a6f3a0e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(CSc1nc2ncccc2o1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CSc1nc2ncccc2o1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1",
    "ref_smiles": "N#Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ncccc4o3)cc2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "153a0098-774f-4b7c-b0ce-c8e545414aba",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CS(=O)(=O)c1ccc(C(=O)c2c(C(=O)[O-])noc2C2CC2)c(F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)c1ccc(C(=O)c2c(C(=O)[O-])noc2C2CC2)c(F)c1",
    "ref_smiles": "CS(=O)(=O)c1ccc(C(=O)c2c(C(=O)[O-])noc2C2CC2)c(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "edb1c26e-a4fb-43de-b497-5cc7d7304e15",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cn1nc(CC(O)c2occc2Br)c2ccccc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1nc(CC(O)c2occc2Br)c2ccccc21",
    "ref_smiles": "Cn1nc(CC(C#N)c2occc2Br)c2ccccc21",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7366b87d-4b2b-4de9-86d0-193dc5158b15",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)C1=C(NC(=O)c2ccccc2C)SC(=Cc2cc3c(cc2Cl)OCO3)C1=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C1=C(NC(=O)c2ccccc2C)SC(=Cc2cc3c(cc2Cl)OCO3)C1=O",
    "ref_smiles": "CCOC(=O)C1=C(NC(=O)c2ccccc2C)SC(=Cc2cc3c(cc2O)OCO3)C1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "308d8ecc-2054-4ca9-8c7b-c9131d2bc119",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cccc(C(=O)NCC(O)c2cncs2)c1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C(=O)NCC(O)c2cncs2)c1C",
    "ref_smiles": "Cc1cccc(C(=O)NCC(NO)c2cncs2)c1C",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6da4c218-2bc0-49dc-8f86-9b44e9616a7c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)c1c(Cl)c(=O)[nH]n1C with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1c(Cl)c(=O)[nH]n1C",
    "ref_smiles": "CC(=O)c1c(O)c(=O)[nH]n1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "72931d5a-f01f-4f7e-b090-a031f5b758cb",
    "task": "sub",
    "question": "Modify the molecule [NH3+]CCCCCS(=O)(=O)c1ccc(Cl)cc1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CCCCCS(=O)(=O)c1ccc(Cl)cc1",
    "ref_smiles": "[NH3+]CCCCCS(=O)(=O)c1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "a84abb1f-7ca2-45e0-be75-edfa1d2b0ecd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCOC(=O)c1c(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)sc(C(=O)OC)c1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOC(=O)c1c(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)sc(C(=O)OC)c1C",
    "ref_smiles": "CCCOC(=O)c1c(NC(=O)c2ccc(COc3ccc(C=O)cc3)o2)sc(C(=O)OC)c1C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "173b176f-bba0-41c4-9f31-723c1e711ce9",
    "task": "sub",
    "question": "Modify the molecule CCn1nnnc1NCc1cc(Cl)c(OC(C)C)c(OC)c1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1nnnc1NCc1cc(Cl)c(OC(C)C)c(OC)c1",
    "ref_smiles": "CCn1nnnc1NCc1cc(OC)c(OC(C)C)c(C(=O)O)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "2c5e8897-9c82-499c-87a4-d3323300fd7e",
    "task": "sub",
    "question": "Modify the molecule Cc1c(F)cc(F)c(Bc2c(F)cc(F)c(C)c2F)c1F by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(F)cc(F)c(Bc2c(F)cc(F)c(C)c2F)c1F",
    "ref_smiles": "Cc1c(O)cc(F)c(Bc2c(F)cc(F)c(C)c2F)c1F",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "2e7104b0-f2df-427e-b92a-d4ca300809ee",
    "task": "sub",
    "question": "Modify the molecule CCc1ccccc1-n1c(C)cc(C=Nc2ccc(I)c(C)c2)c1C by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccccc1-n1c(C)cc(C=Nc2ccc(I)c(C)c2)c1C",
    "ref_smiles": "CCc1ccccc1-n1c(C)cc(C=Nc2ccc(O)c(C)c2)c1C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "87d230d4-2309-41d8-aad1-21cd0863aa18",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)N(CCCO)C(=O)c1cnccc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N(CCCO)C(=O)c1cnccc1Cl",
    "ref_smiles": "CC(C)N(CCCO)C(=O)c1cnccc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "69cee75e-0a8c-4cde-8e9f-b29453d06fb8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1Cc1ccccc1Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1Cc1ccccc1Cl",
    "ref_smiles": "CC(=O)c1ccccc1Cn1c(CCC)nc2c(C(N)=O)cc(N3CCOCC3)cc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a8231a8b-fb71-4381-a83e-fe911ba2ae84",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)CC1",
    "ref_smiles": "CC(C)=CC[NH+]1CCC(NC(=O)C2=NN(c3ccc(S)cc3)C(C(N)=O)C2)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4fb210fb-ae16-4ab8-804a-134264f946ff",
    "task": "sub",
    "question": "Modify the molecule O=C1CN(C(=O)Nc2ccccc2Br)c2ccccc2N1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CN(C(=O)Nc2ccccc2Br)c2ccccc2N1",
    "ref_smiles": "O=C1CN(C(=O)Nc2ccc(C=O)cc2)c3ccccc3N1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "57222391-f415-4496-a4da-18d42b437808",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1ccc(-c2nn(Cc3ccccc3)cc2C=CC(=O)N(C)C(C)CC#N)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-c2nn(Cc3ccccc3)cc2C=CC(=O)N(C)C(C)CC#N)cc1",
    "ref_smiles": "Cc1ccc(-c2nn(Cc3ccccc3)cc2C=CC(=O)N(C)C(C)CS)cc1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "22dbaab7-0148-4285-9b26-683b15d0e01b",
    "task": "sub",
    "question": "Modify the molecule CC(Cl)=C1C(C)=C(Cl)c2cc3ccc2CCc2ccc(cc21)CC3 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Cl)=C1C(C)=C(Cl)c2cc3ccc2CCc2ccc(cc21)CC3",
    "ref_smiles": "CC(C#N)=C1C(C)=C(Cl)c2cc3ccc2CCc2ccc(cc21)CC3",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "71023501-52a6-4ce6-8b45-993561193e6a",
    "task": "sub",
    "question": "Modify the molecule Cc1noc(C)c1N(C)C(=O)CC(O)c1ccc(Cl)cc1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1noc(C)c1N(C)C(=O)CC(O)c1ccc(Cl)cc1",
    "ref_smiles": "CC(=O)C(CC(=O)N(C)c1c(C)noc1C)c1ccc(Cl)cc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3625d575-0873-43ab-8187-0a75cbab3ada",
    "task": "sub",
    "question": "Modify the molecule CN1CC(Nc2cccnc2C#N)CCC1=O by substituting a nitrile with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1CC(Nc2cccnc2C#N)CCC1=O",
    "ref_smiles": "CN1CC(Nc2cccnc2Br)CCC1=O",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "d0081828-73b3-4599-bc50-a37473615c06",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(OC1OCCC(C2CCC(C[NH3+])O2)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(OC1OCCC(C2CCC(C[NH3+])O2)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1",
    "ref_smiles": "CC(OC1OCCC(C2CCC(C[NH3+])O2)C1c1ccccc1)c1cc(C(O)(F)F)cc(C(F)(F)F)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "ca69c27d-7c57-4b9e-9a5f-bb9c8aafabf7",
    "task": "sub",
    "question": "Modify the molecule O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCc2ccc(F)cc21 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCc2ccc(F)cc21",
    "ref_smiles": "O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCc2ccc(S)cc21",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "574f02cb-9aa9-465b-b97d-5e0dc4ff3b6f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH2+]C(Cc1cc(F)ccc1F)c1cnn(C)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(Cc1cc(F)ccc1F)c1cnn(C)c1",
    "ref_smiles": "CC[NH2+]C(Cc1cc(C(=O)[OH])ccc1F)c1cnn(C)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f6c5f053-cf51-4dc1-947f-8fc699ce8123",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1c(-c2ccc(C(N)=O)cc2Cl)nnc1C(C)(C)Oc1c(F)cc(F)cc1F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1c(-c2ccc(C(N)=O)cc2Cl)nnc1C(C)(C)Oc1c(F)cc(F)cc1F",
    "ref_smiles": "Cn1c(-c2ccc(C(N)=O)cc2C(=O)O)nnc1C(C)(C)Oc1c(F)cc(F)cc1F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a1e65667-264d-4b37-958a-8cbf69946450",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CCN(Cn1nnc2ccccc21)C(=O)C1N(CCCCO)C(=O)C2C(C(=O)N(CC=C)c3ccccc3)C3(CC)CCC21O3 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCN(Cn1nnc2ccccc21)C(=O)C1N(CCCCO)C(=O)C2C(C(=O)N(CC=C)c3ccccc3)C3(CC)CCC21O3",
    "ref_smiles": "C=CCN(Cn1nnc2ccccc21)C(=O)C1N(CCCCF)C(=O)C2C(C(=O)N(CC=C)c3ccccc3)C3(CC)CCC21O3",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "73196e20-d275-43c7-a911-0e47f625d10e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCC1N(Br)C=N[NH+]1C(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC1N(Br)C=N[NH+]1C(C)C",
    "ref_smiles": "CCCCC1N(NO)C=N[NH+]1C(C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e9f910fc-8b98-4a98-9ce4-a3292a0cc1b9",
    "task": "sub",
    "question": "Modify the molecule CCCCN(C)C(=O)C1CC(F)(F)CN1C1CN(C(=O)c2ccccc2)C1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCN(C)C(=O)C1CC(F)(F)CN1C1CN(C(=O)c2ccccc2)C1",
    "ref_smiles": "CC(=O)C1CC(C(=O)N(C)CCCC)N(C2CN(C(=O)c3ccccc3)C2)C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "aed478c1-1170-41c1-9c7d-468a41fa3851",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(C)c1cc(C(F)(F)F)nc(NCc2cnn(-c3ccccc3)c2)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)c1cc(C(F)(F)F)nc(NCc2cnn(-c3ccccc3)c2)n1",
    "ref_smiles": "CN(C)c1cc(C(F)(F)C(=O)O)nc(NCc2cnn(-c3ccccc3)c2)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a59ac0de-d265-4a39-9615-1552c419d68f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COC(=O)C12Oc3ccc(-c4ccc5c(c4[O-])C(=O)C4(O)C6CC(C)C(O)C4(O5)C(=O)O6)c(O)c3C([O-])=C1C(=O)CC(C)C2O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)C12Oc3ccc(-c4ccc5c(c4[O-])C(=O)C4(O)C6CC(C)C(O)C4(O5)C(=O)O6)c(O)c3C([O-])=C1C(=O)CC(C)C2O",
    "ref_smiles": "COC(=O)C12Oc3ccc(-c4ccc5c(c4[O-])C(=O)C4(C(=O)[OH])C6CC(C)C(O)C4(O5)C(=O)O6)c(O)c3C([O-])=C1C(=O)CC(C)C2O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d4b7fd03-865f-432e-8366-184ad509ae7f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(F)cccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(F)cccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N",
    "ref_smiles": "Cc1c(C#N)cccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "64750cf1-45f2-4f8d-aa25-97f1ea0fb5c4",
    "task": "sub",
    "question": "Modify the molecule O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1sccc1Br by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1sccc1Br",
    "ref_smiles": "O=C(NCc1ccc(C[NH+]2CCC(Br)CC2)cc1)c1sccc1Br",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e103aa02-56c9-4a62-9dc9-7c4832f4bb15",
    "task": "sub",
    "question": "Modify the molecule CC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(Br)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(Br)cc1",
    "ref_smiles": "CC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(O)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4deaeb98-1685-447f-a999-595da0e57a11",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(CC(=O)N2CC[NH+](CCc3ccc4c(=O)occc4c3)CC2)c(F)cc1C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(CC(=O)N2CC[NH+](CCc3ccc4c(=O)occc4c3)CC2)c(F)cc1C",
    "ref_smiles": "COc1cc(CC(=O)N2CC[NH+](CCc3ccc4c(=O)occc4c3)CC2)c(C(=O)[OH])cc1C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "570260b1-8d45-4c9b-b8d1-ba5735f106bd",
    "task": "sub",
    "question": "Modify the molecule CCCCC([NH2+]CCc1ccnn1C)c1ccc(F)cc1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC([NH2+]CCc1ccnn1C)c1ccc(F)cc1",
    "ref_smiles": "CCCCC([NH2+]CCc1ccnn1C)c1ccc(NO2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "87f70b7a-2b68-4a8a-be00-885dd1a1edf4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Clc1cccc(Nc2ncnc3ccc(NN=NCCCCCN=NNc4ccc5ncnc(Nc6cccc(Cl)c6)c5c4)cc23)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1cccc(Nc2ncnc3ccc(NN=NCCCCCN=NNc4ccc5ncnc(Nc6cccc(Cl)c6)c5c4)cc23)c1",
    "ref_smiles": "Oc1cccc(Nc2ncnc3ccc(NN=NCCCCCN=NNc4ccc5ncnc(Nc6cccc(Cl)c6)c5c4)cc23)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "14263184-6aae-4347-992e-091207939223",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC1C[NH+](C)Cc1ccc(-c2ccccc2)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC1C[NH+](C)Cc1ccc(-c2ccccc2)cc1",
    "ref_smiles": "CC(=O)CC(C)N1CC(C)C(C[NH+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d920882b-4174-4df4-ad42-caa569f5d169",
    "task": "sub",
    "question": "Modify the molecule CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C[NH2+]CC1CC1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C[NH2+]CC1CC1",
    "ref_smiles": "CS(=O)(=O)CCOc1ccc(CHO)cc1NC(=O)C[NH2+]CC2CC2",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "1f6d96bd-a36d-47c0-9365-cd6040ea79fa",
    "task": "sub",
    "question": "Modify the molecule CCOc1cc(C[NH2+]CCc2ccccc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1cc(C[NH2+]CCc2ccccc2F)c(Br)cc1OCc1ccc(Cl)c(Cl)c1",
    "ref_smiles": "CCOc1cc(C[NH2+]CCc2ccccc2C#N)c(Br)cc1OCc1ccc(Cl)c(Cl)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "a55ff03f-9cf0-47cf-bcba-17d09e201a61",
    "task": "sub",
    "question": "Modify the molecule CC(C)CNC(=O)NCC(=O)Nc1ccc(Cl)cc1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CNC(=O)NCC(=O)Nc1ccc(Cl)cc1",
    "ref_smiles": "CC(C)CNC(=O)NCC(=O)Nc1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "37a1d88c-3de3-4703-ba8e-84a8e5b25e0f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cn1ccc(CC(O)C(=O)[O-])n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1ccc(CC(O)C(=O)[O-])n1",
    "ref_smiles": "Cn1ccc(CC(C(=O)[O-])C(=O)[OH])n1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "12798594-92d0-478a-b51c-a7df27c517b3",
    "task": "sub",
    "question": "Modify the molecule CCOC(C)(C)C(O)c1ncccc1OC by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(C)(C)C(O)c1ncccc1OC",
    "ref_smiles": "CCOC(C)(C)C(C(=O)O)c1ncccc1OC",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "20eed894-439f-4352-84ee-50beb5c1a91d",
    "task": "sub",
    "question": "Modify the molecule CCN(Cc1nc(N)c2cnn(C)c2n1)CC(C)C#N by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(Cc1nc(N)c2cnn(C)c2n1)CC(C)C#N",
    "ref_smiles": "CCN(Cc1nc(N)c2cnn(C)c2n1)CC(C)NO",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "ea933c4e-7e65-4016-a504-de51d8644206",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule N=CCCCN(CC[NH3+])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N=CCCCN(CC[NH3+])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O",
    "ref_smiles": "N#CC1C(O)C(CN(CC[NH3+])CCCC=N)OC1n1cnc2c(N)ncnc21",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "8248501e-698e-4f41-96c0-1e2b07e781a3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccccc1CNc1nc(Cl)nc2c1ncn2C1CCCC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1CNc1nc(Cl)nc2c1ncn2C1CCCC1",
    "ref_smiles": "COc1ccccc1CNc1nc(NO)nc2c1ncn2C1CCCC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "93436a17-2caa-4f88-90d0-024cdd31b487",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1",
    "ref_smiles": "O=Cc1ccc(-n2nc3c(c2NC(=O)c2ccc([H])c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "52f4e6b6-4e78-41c9-8ff2-3a977cf958d6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(CC1C(=O)Nc2c(-c3cccc(Cl)c3)cnn21)Nc1ccc([N+](=O)[O-])cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CC1C(=O)Nc2c(-c3cccc(Cl)c3)cnn21)Nc1ccc([N+](=O)[O-])cc1",
    "ref_smiles": "CC(=O)c1cccc(-c2cnn3c2NC(=O)C3CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cc324b80-b3ed-4ef8-9d51-417ccb840294",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCNC(=O)C1(C)CCCCN1C(=O)c1ccc(C)c(F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCNC(=O)C1(C)CCCCN1C(=O)c1ccc(C)c(F)c1",
    "ref_smiles": "CCCCNC(=O)C1(C)CCCCN1C(=O)c1ccc(C)c(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "6d8ec947-a983-4fde-a95b-30c5fb5da45e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1[nH]n(Cc2ccccc2)c2cc(OS(=O)(=O)C(F)(F)F)cc1-2 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1[nH]n(Cc2ccccc2)c2cc(OS(=O)(=O)C(F)(F)F)cc1-2",
    "ref_smiles": "Cc1[nH]n(Cc2ccccc2)c2cc(OS(=O)(=O)C(O)(F)F)cc1-2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "fe0104f4-3fe9-4975-883f-604cbe083c1e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)CCCNC(=O)NCc1cccc(OCC(F)F)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CCCNC(=O)NCc1cccc(OCC(F)F)c1",
    "ref_smiles": "CC(C)CCCNC(=O)NCc1cccc(OCC(O)F)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "bc22d1c0-8f7b-40c4-8874-f6d64da52531",
    "task": "sub",
    "question": "Modify the molecule Cn1nc(Br)c2c1S(=O)(=O)CCN2 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1nc(Br)c2c1S(=O)(=O)CCN2",
    "ref_smiles": "Cn1nc(O)c2c1S(=O)(=O)CCN2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "6b68f401-4be7-4c4a-be16-23aa0b7ba5d0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(-c2cc(C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)CC3c3ccco3)c3ccccc3n2)cc(OC)c1OC with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(-c2cc(C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)CC3c3ccco3)c3ccccc3n2)cc(OC)c1OC",
    "ref_smiles": "CC(=O)c1ccc(C2=NN(C(=O)COC(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)C(c3ccco3)C2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "20974b57-1265-4034-bcf8-84604cc852f8",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(C#N)(CCCC(F)(F)F)NC1CCCCC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C#N)(CCCC(F)(F)F)NC1CCCCC1",
    "ref_smiles": "CC(I)(CCCC(F)(F)F)NC1CCCCC1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "f16e8fa7-60b2-41d8-9eae-b8a0b9cd8e0f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH+](CC)CCNS(=O)(=O)c1cc(N)c(C)cc1F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CC)CCNS(=O)(=O)c1cc(N)c(C)cc1F",
    "ref_smiles": "CC[NH+](CC)CCNS(=O)(=O)c1cc(N)c(C)cc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "bc06dddc-d832-4edc-80a0-fbfe9083c896",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(OC(F)(F)F)cc2)SCC3)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(OC(F)(F)F)cc2)SCC3)cc1",
    "ref_smiles": "CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(OC(F)(F)NO)cc2)SCC3)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "3b5f5e39-4855-4aca-bad6-6fef45810445",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(Cl)c(-c2ccc3c(c2)N2CC[NH2+]CCC2C3)c(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(Cl)c(-c2ccc3c(c2)N2CC[NH2+]CCC2C3)c(Cl)c1",
    "ref_smiles": "CC(=O)c1cc(OC)cc(Cl)c1-c1ccc2c(c1)N1CC[NH2+]CCC1C2",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "d04c14a4-5bff-4399-959a-bcb1b75f5cd0",
    "task": "sub",
    "question": "Modify the molecule Cc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12",
    "ref_smiles": "Cc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)Cc3ccc(C#N)cc3)nc12",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "9f88ce10-b0f2-4739-b1a4-d2c034f196c6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=[NH2+])NCCCC(NC(=O)C1CSSCC(NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)N2CCCC2C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=O)C(=O)N1)C(N)=O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=[NH2+])NCCCC(NC(=O)C1CSSCC(NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)N2CCCC2C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=O)C(=O)N1)C(N)=O",
    "ref_smiles": "NC(=[NH2+])NCCCC(NC(=O)C1CSSCC(NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)c2ccc(C(=O)H)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)N2CCCC2C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=O)C(=O)N1)C(N)=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "60790ab1-6596-40cc-b45b-b36e9ac8f70d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccc(NC(=O)c2ccc(NCC(O)C(C)(C)C)nc2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(NC(=O)c2ccc(NCC(O)C(C)(C)C)nc2)cc1",
    "ref_smiles": "Cc1ccc(NC(=O)c2ccc(NCC(C(=O)O)C(C)(C)C)nc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7865c5f0-ca6b-4ae0-88b3-f3d764aa3bf7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule OCc1ccc(C#Cc2ccc(C(F)C(O)C(F)n3cnnn3)nc2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCc1ccc(C#Cc2ccc(C(F)C(O)C(F)n3cnnn3)nc2)cc1",
    "ref_smiles": "N#CC(c1ccc(C#Cc2ccc(CO)cc2)cn1)C(O)C(F)n1cnnn1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "ea088875-6ee1-4b89-b578-eb8c3793a8c5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc(Cl)cc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc(Cl)cc1Cl",
    "ref_smiles": "O=C([OH])c1ccc2ncn(CC(=O)c3ccc(Cl)cc3Cl)c(=O)c2c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "d73c0836-efcc-4933-90a3-701e2a2a1532",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)c1nnsc1C(O)Cc1cncs1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1nnsc1C(O)Cc1cncs1",
    "ref_smiles": "CC(C)(C)c1nnsc1C(C#N)Cc1cncs1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a5523dcb-a0b4-47d9-bc03-2bb910b43060",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule OCC1C(O)C(O)C(O)C[NH+]1CCCCl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCC1C(O)C(O)C(O)C[NH+]1CCCCl",
    "ref_smiles": "OC1C[NH+](CCCCl)C(CI)C(O)C1O",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "de8dcd10-46a5-4dd6-9c56-8ac6e724f5c5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(C)c1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)ccn1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)c1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)ccn1",
    "ref_smiles": "CN(C)c1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)ccn1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "6ba7ef8b-2a57-42f3-bdde-fc2984c1a223",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(CCC(F)(F)F)Cc1cc(F)cc(C[NH3+])c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(CCC(F)(F)F)Cc1cc(F)cc(C[NH3+])c1",
    "ref_smiles": "CN(CCC(F)(F)S)Cc1cc(F)cc(C[NH3+])c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "8e3431cc-520e-4bd5-ae73-d785e3886e30",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1csc(CNc2cc(C)[nH+]c(C)c2C#N)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1csc(CNc2cc(C)[nH+]c(C)c2C#N)n1",
    "ref_smiles": "Cc1csc(CNc2cc(C)[nH+]c(C)c2C(=O)[OH])n1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "73df1ffb-1cc2-4487-a2b3-12e2d40f2e90",
    "task": "sub",
    "question": "Modify the molecule CC(=O)c1cc(Cl)ccc1OCc1c(F)cccc1Cl by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1cc(Cl)ccc1OCc1c(F)cccc1Cl",
    "ref_smiles": "CC(=O)c1cc(O)ccc1OCc1c(F)cccc1Cl",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "af765465-25b4-49f8-b670-3725c1b1845e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C[NH2+]C(c1cn(C)c2ccccc12)C1(CO)CCC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(c1cn(C)c2ccccc12)C1(CO)CCC1",
    "ref_smiles": "C[NH2+]C(c1cn(C)c2ccccc12)C1(CNO)CCC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b78edde7-7c19-411c-9f45-aae0e0a62928",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCc1nc(Cl)c(I)c(CC(C)C)n1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1nc(Cl)c(I)c(CC(C)C)n1",
    "ref_smiles": "CCCc1nc(O)c(I)c(CC(C)C)n1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "240d9815-4276-423c-aad5-2e3f410f4749",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCC(CC(=O)c1ccc(F)cn1)NC(=O)OC(C)(C)C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCC(CC(=O)c1ccc(F)cn1)NC(=O)OC(C)(C)C",
    "ref_smiles": "COCCC(CC(=O)c1ccc(C(=O)O)cn1)NC(=O)OC(C)(C)C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3591e1a2-9664-4599-8748-e0038f27104f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2cccc(F)c2)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2cccc(F)c2)n1",
    "ref_smiles": "Cc1nc(Nc2ccc(C#N)cc2)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f6a4625e-4280-498d-9fc8-d107ee5e9052",
    "task": "sub",
    "question": "Modify the molecule O=C(NC(CO)C(=O)OCC(=O)c1ccccc1)OCC1c2ccccc2-c2ccccc21 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC(CO)C(=O)OCC(=O)c1ccccc1)OCC1c2ccccc2-c2ccccc21",
    "ref_smiles": "O=C([OH])CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC(=O)c1ccccc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "47c22aa0-2d2a-4d1f-9c25-1da51054b60d",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)c1cn(C)c2ccc(F)cc2c1=[NH+]c1ccc(-c2ccccc2)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1cn(C)c2ccc(F)cc2c1=[NH+]c1ccc(-c2ccccc2)cc1",
    "ref_smiles": "CCOC(=O)c1cn(C)c2ccc(C(=O)[OH])cc2c1=[NH+]c1ccc(-c2ccccc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "eb4d188c-ab1b-4ef0-9444-c17f980de284",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCC(O)c1cc(F)ccc1C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC(O)c1cc(F)ccc1C",
    "ref_smiles": "CCCCC(C(=O)O)c1cc(F)ccc1C",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "61dca8d4-4033-4779-bed3-3b9c3133e773",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(c1ccc(Cl)cc1Cl)N1C(=O)C(O)C(C)(CO)C1=O with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(c1ccc(Cl)cc1Cl)N1C(=O)C(O)C(C)(CO)C1=O",
    "ref_smiles": "CC(c1ccc(O)cc1Cl)N1C(=O)C(O)C(C)(CO)C1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c92c53ee-49c5-4f34-9902-562bec9d40e5",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule COCCN(CCC#N)c1cccc(C(=O)OC)c1N with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCN(CCC#N)c1cccc(C(=O)OC)c1N",
    "ref_smiles": "COCCN(CCNO)c1cccc(C(=O)OC)c1N",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "9ff6f4b2-f917-4aad-960c-a305c8494240",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC",
    "ref_smiles": "COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(O)(F)F)c3)C2=O)cc1OC",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "51309018-82f4-4928-a7c4-c1f83fc9b30a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)Oc1ccc(-c2nc(C3CCc4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cn1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)Oc1ccc(-c2nc(C3CCc4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cn1",
    "ref_smiles": "NC(=O)Oc1ccc(-c2nc(C3CCc4nc(-c5cc(O)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cn1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "131b4a27-22d5-4aa7-9549-23f9c9c88bb6",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COC(C)CC1(CO)CCC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(C)CC1(CO)CCC1",
    "ref_smiles": "COC(C)CC1(CC#N)CCC1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1d357959-5581-43a5-90e3-6bd69102544a",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(=O)c1cc(C#N)ccc1Sc1ccc(Cl)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1cc(C#N)ccc1Sc1ccc(Cl)cc1",
    "ref_smiles": "CC(=O)c1cc(Br)ccc1Sc1ccc(Cl)cc1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "906eb644-59e3-43c2-ad84-1f513cdc5301",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COC(=O)C=CCC(O)C(C)C=Cc1ccc(OC)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)C=CCC(O)C(C)C=Cc1ccc(OC)cc1",
    "ref_smiles": "COC(=O)C=CCC(Cl)C(C)C=Cc1ccc(OC)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6dedc7e8-9671-4460-84f7-45fa1f75042b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(C1CCCN1c1nccc(Nc2ccccc2)n1)N1CCC(O)C1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C1CCCN1c1nccc(Nc2ccccc2)n1)N1CCC(O)C1",
    "ref_smiles": "O=C(C1CCCN1c1nccc(Nc2ccccc2)n1)N1CCC(I)C1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "daf22062-5ff2-4488-af2a-72bcbadd39e8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(CC)(CC1OC(n2ccc3c(=O)nc(N)[nH]c32)C(O)C1O)OP(=O)([O-])C(C)(O)CC with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)(CC1OC(n2ccc3c(=O)nc(N)[nH]c32)C(O)C1O)OP(=O)([O-])C(C)(O)CC",
    "ref_smiles": "CCC(CC)(CC1OC(n2ccc3c(=O)nc(N)[nH]c32)C(C(=O)O)C1O)OP(=O)([O-])C(C)(O)CC",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c4d2332c-73ad-4ec2-a2f6-5a4d17faf7d3",
    "task": "sub",
    "question": "Modify the molecule CCNc1ncc(Cl)c(N(CCC#N)CCOC)n1 by substituting a nitrile with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNc1ncc(Cl)c(N(CCC#N)CCOC)n1",
    "ref_smiles": "CCNc1ncc(Cl)c(N(CCI)CCOC)n1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "b1059366-8cb3-443f-a04f-861f17b4d930",
    "task": "sub",
    "question": "Modify the molecule O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1",
    "ref_smiles": "O=C([OH])c1ccc(OCC2CCCO2)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "8cfc779a-456c-4c2c-b23c-5cced1945631",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1NC(=O)c2c(-c3ccc(Cl)cc3)cc(O)c3cccc1c23 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1NC(=O)c2c(-c3ccc(Cl)cc3)cc(O)c3cccc1c23",
    "ref_smiles": "O=C1NC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)cc(O)c3cccc1c23",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "20adb771-f35f-490c-bb7e-f3fe26dce5cd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(OCC(=O)c1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(OCC(=O)c1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1",
    "ref_smiles": "O=C([OH])c1ccc(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b97f4246-2419-45bf-ad22-5f080c1d896e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)Cl)cn1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)Cl)cn1",
    "ref_smiles": "COc1cc(C=O)ccc1C(=O)Nc1ccc(C(=O)Cl)cn1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "96329397-3a1a-4e1f-b90c-80c7a7b46c3a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(C)C[NH+](C)CCCl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(C)C[NH+](C)CCCl",
    "ref_smiles": "COC(C)C[NH+](C)CCO",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "b4ddef0f-c75d-4da0-b2c0-bebb4c95f03d",
    "task": "sub",
    "question": "Modify the molecule OCCc1ccc(C(F)(F)F)c(F)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCCc1ccc(C(F)(F)F)c(F)c1",
    "ref_smiles": "ONC(F)(F)c1ccc(CCO)cc1F",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5d2991f5-962e-4a3e-ba29-fccaf0c4a765",
    "task": "sub",
    "question": "Modify the molecule CCOc1ccc(NS(=O)(=O)c2c(N)cccc2F)cn1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(NS(=O)(=O)c2c(N)cccc2F)cn1",
    "ref_smiles": "CC(=O)c1cccc(N)c1S(=O)(=O)Nc1ccc(OCC)nc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cd6c0ba8-61d3-4410-a02c-1b3ce9ff7fde",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1",
    "ref_smiles": "CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccc(NC(=O)c3ccc(C(=O)[OH])cc3)c2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "87f45a1a-8c9c-4df3-92b0-26c2f7bcdeea",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nc(Nc2ccc(S(C)(=O)=O)cc2F)c2c(n1)N(C1CCN(C(=O)OC(C)C)CC1)CCO2 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(Nc2ccc(S(C)(=O)=O)cc2F)c2c(n1)N(C1CCN(C(=O)OC(C)C)CC1)CCO2",
    "ref_smiles": "CC(=O)c1cc(S(C)(=O)=O)ccc1Nc1nc(C)nc2c1OCCN2C1CCN(C(=O)OC(C)C)CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "edb6eb4e-5a72-406b-a185-ea29860cb095",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(O)cc(C)c1CC([NH3+])C(=O)NC(=O)C(C)[NH2+]CCCc1ccccc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(O)cc(C)c1CC([NH3+])C(=O)NC(=O)C(C)[NH2+]CCCc1ccccc1",
    "ref_smiles": "Cc1cc(I)cc(C)c1CC([NH3+])C(=O)NC(=O)C(C)[NH2+]CCCc1ccccc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9876b7a5-66a7-41cc-81af-475cb322fb0e",
    "task": "sub",
    "question": "Modify the molecule O=C1C[NH+](Cc2ccccc2)CCCC1CCO by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1C[NH+](Cc2ccccc2)CCCC1CCO",
    "ref_smiles": "ONCCC1CCC[NH+](Cc2ccccc2)CC1=O",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3a670723-13e8-4d83-a4c8-522c5c76b941",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#CCCC1(CCC#N)C(=O)c2ccccc2OC1CCc1ccccc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCCC1(CCC#N)C(=O)c2ccccc2OC1CCc1ccccc1",
    "ref_smiles": "N#CCCC1(CCC(=O)[OH])C(=O)c2ccccc2OC1CCc1ccccc1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "dd3764f2-ba7d-4f03-aca0-66fe0bc00bfc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccccc1NC(=O)c1ccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)C(C)C)cc1Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccccc1NC(=O)c1ccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)C(C)C)cc1Cl",
    "ref_smiles": "CC(=O)c1cc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)C(C)C)ccc1C(=O)Nc1ccccc1C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "010a2477-6c28-4e60-897d-74c725ba46a4",
    "task": "sub",
    "question": "Modify the molecule CCC(c1cccc(O)c1)C(C)C(=O)OC by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(c1cccc(O)c1)C(C)C(=O)OC",
    "ref_smiles": "CCC(c1cccc(NO)c1)C(C)C(=O)OC",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f03b84e3-f0ef-4b0f-ba3c-22c3cc79df62",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=C(C)OC(=O)c1cccc(C)c1CCl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(C)OC(=O)c1cccc(C)c1CCl",
    "ref_smiles": "C=C(C)OC(=O)c1cccc(C)c1CNO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "126df536-1e4a-404b-be21-cd214f0fadee",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(Br)ccc1C[NH2+]CCO with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Br)ccc1C[NH2+]CCO",
    "ref_smiles": "Cc1cc(Br)ccc1C[NH2+]CCC(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9360ee0b-3255-435c-9e23-ced9e4b18072",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NNC(=O)c1ccc(COCC(F)(F)C(F)F)o1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NNC(=O)c1ccc(COCC(F)(F)C(F)F)o1",
    "ref_smiles": "N#CC(F)(COCc1ccc(C(=O)NN)o1)C(F)F",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "dd89b0be-d9dd-45f5-a832-0f4133359365",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1Cl",
    "ref_smiles": "COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-]",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "77145fbc-aac5-465c-9084-17c16a0d7dd8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCCc1ccccc1)c1ccc(F)cc1O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCCc1ccccc1)c1ccc(F)cc1O",
    "ref_smiles": "O=C([OH])c1ccc(C(=O)NCCc2ccccc2)c(O)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f4160bb3-b94f-4eb0-8ea4-90ae7adcd31a",
    "task": "sub",
    "question": "Modify the molecule CC(C)c1ccccc1OC(=O)c1ccc(N)cc1O by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1ccccc1OC(=O)c1ccc(N)cc1O",
    "ref_smiles": "CC(C)c1ccccc1OC(=O)c1ccc(N)cc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "977068f8-5fe5-4c13-9e15-549632189979",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(-n2c(=O)n(C3CCN(C(=O)C4CC[NH+](Cc5ccnc(N)c5)CC4)CC3)c3ccc(F)cc32)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(-n2c(=O)n(C3CCN(C(=O)C4CC[NH+](Cc5ccnc(N)c5)CC4)CC3)c3ccc(F)cc32)n1",
    "ref_smiles": "CC(=O)c1ccc2c(c1)n(-c1cccc(C)n1)c(=O)n2C1CCN(C(=O)C2CC[NH+](Cc3ccnc(N)c3)CC2)CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "0e73adc2-5930-4c83-a7e3-6ebd9b6bc236",
    "task": "sub",
    "question": "Modify the molecule CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1",
    "ref_smiles": "CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NO)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c5cbc7ce-abc2-49c7-a39e-03d61a334b53",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC[NH+](CCOC)CC1(CO)CCOC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CCOC)CC1(CO)CCOC1",
    "ref_smiles": "CC[NH+](CCOC)CC1(CCl)CCOC1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d926465a-5299-42af-9cd8-022614cf9ab3",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C[NH3+])c1ccc2c(c1)CC(=O)N2C#N by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C[NH3+])c1ccc2c(c1)CC(=O)N2C#N",
    "ref_smiles": "CC(C)(C[NH3+])c1ccc2c(c1)CC(=O)N2C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "786acb43-7318-4861-b46a-053935217411",
    "task": "sub",
    "question": "Modify the molecule Cc1nn(C)c(NC2CCCC2C[NH3+])c1C#N by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nn(C)c(NC2CCCC2C[NH3+])c1C#N",
    "ref_smiles": "CC(=O)c1c(C)nn(C)c1NC1CCCC1C[NH3+]",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "fc675a75-7638-4ceb-ad98-dd2d4509ff72",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1ccc(Br)cc1C(=O)c1c(C)cccc1N with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(Br)cc1C(=O)c1c(C)cccc1N",
    "ref_smiles": "CC(=O)c1ccc(OCC)c(C(=O)c2c(C)cccc2N)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "21a0cc5e-f59c-4d9f-bb34-5704d83ae042",
    "task": "sub",
    "question": "Modify the molecule C[N+]1([NH2+]CCCCOc2cccc(C[NH+]3CCCCC3)c2)C=NC(CO)=N1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[N+]1([NH2+]CCCCOc2cccc(C[NH+]3CCCCC3)c2)C=NC(CO)=N1",
    "ref_smiles": "C[N+]1([NH2+]CCCCOc2cccc(C[NH+]3CCCCC3)c2)C=NC(CNO)=N1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "133ae758-5ba4-4a65-a7e3-c8a3e0baa8fd",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(N2C(=O)[N+](=Cc3ccccc3)N=C2O)cc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(N2C(=O)[N+](=Cc3ccccc3)N=C2O)cc1",
    "ref_smiles": "COc1ccc(N2C(=O)[N+](=Cc3ccccc3)N=C2I)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c01a7f14-515a-4dfa-9620-e76c92b5a027",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=C(C(O)=C(c1nc2ccc(C(N)=O)cc2[nH]1)[NH+](C)C)c1ccc(CBr)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(C(O)=C(c1nc2ccc(C(N)=O)cc2[nH]1)[NH+](C)C)c1ccc(CBr)cc1",
    "ref_smiles": "C=C(C(C(=O)O)=C(c1nc2ccc(C(N)=O)cc2[nH]1)[NH+](C)C)c1ccc(CBr)cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a27f54fa-b7ae-49b2-8648-b5b85badfb17",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C(=O)Cc2cnc(C)c(-n3cc(-c4cncc(N5CC[NH+](C)CC5)c4)nn3)c2)cc1C(F)(F)F by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=O)Cc2cnc(C)c(-n3cc(-c4cncc(N5CC[NH+](C)CC5)c4)nn3)c2)cc1C(F)(F)F",
    "ref_smiles": "COc1ccc(C(=O)Cc2cnc(C)c(-n3cc(-c4cncc(N5CC[NH+](C)CC5)c4)nn3)c2)cc1C(F)(F)C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e8d655c5-3293-4cef-8134-c11e6c9c2a46",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(N)cc(C)c1Oc1ccc(O)c(-c2ccc(C(F)(F)F)cc2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(N)cc(C)c1Oc1ccc(O)c(-c2ccc(C(F)(F)F)cc2)c1",
    "ref_smiles": "Cc1cc(N)cc(C)c1Oc1ccc(O)c(-c2ccc(C(F)(F)NO)cc2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d5e97fc6-a0d6-4018-8cee-6f75e56d5028",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCCc1cccc(F)c1)c1ccc2nn(CC3COc4ccccc4O3)cc2c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCCc1cccc(F)c1)c1ccc2nn(CC3COc4ccccc4O3)cc2c1",
    "ref_smiles": "O=C([OH])c1cccc(CCNC(=O)c2ccc3nn(CC4COc5ccccc5O4)cc3c2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "5adf8540-5085-4fa5-91be-331d401527bb",
    "task": "sub",
    "question": "Modify the molecule CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(N2CCCC2=O)cc1",
    "ref_smiles": "CN(Cc1ccccc1C#N)S(=O)(=O)c1ccc(N2CCCC2=O)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "08c9952b-324e-47a6-95f9-d8973658857a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C[NH+](CCc1cccs1)CC(O)C1CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](CCc1cccs1)CC(O)C1CC1",
    "ref_smiles": "C[NH+](CCc1cccs1)CC(NO)C1CC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "8ba09c7a-769b-4fa5-92d5-4508bc29a26c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(CC(N)=O)NC(=O)c1c(F)cccc1Br with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CC(N)=O)NC(=O)c1c(F)cccc1Br",
    "ref_smiles": "CC(CC(N)=O)NC(=O)c1c(Br)cccc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "77923e5a-e68c-4cd0-9ca2-d8fac22aba89",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCOc1[nH+]c(C(=O)NCC2CCN(C(=O)NC(C)C)CC2)cc(N)c1C#N with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1[nH+]c(C(=O)NCC2CCN(C(=O)NC(C)C)CC2)cc(N)c1C#N",
    "ref_smiles": "CCOc1[nH+]c(C(=O)NCC2CCN(C(=O)NC(C)C)CC2)cc(N)c1S",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "f9cd6cbc-0bc8-4476-8a5d-a996be188a83",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)c1ccc(NC(=O)N2CCc3[nH]c(Cc4ccccc4F)nc(=O)c3C2)cc1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1ccc(NC(=O)N2CCc3[nH]c(Cc4ccccc4F)nc(=O)c3C2)cc1",
    "ref_smiles": "CCOC(=O)c1ccc(NC(=O)N2CCc3[nH]c(Cc4ccccc4[N+](=O)[O-])nc(=O)c3C2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d20274c4-5d91-457e-b810-20fcfd2fe13d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Nc4ccccc4)cc3)C2c2ccc(F)cc2)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Nc4ccccc4)cc3)C2c2ccc(F)cc2)c1",
    "ref_smiles": "CC(=O)c1ccc(C2C(=C([O-])c3cccc(OCC(C)C)c3)C(=O)C(=O)N2c2ccc(Nc3ccccc3)cc2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a0b5d19b-106c-4345-8303-35ef42f178d7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3cc(C)c(Cl)cc3Cl)cc2)C1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3cc(C)c(Cl)cc3Cl)cc2)C1",
    "ref_smiles": "C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3cc(C)c(O)cc3Cl)cc2)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "88a33726-1b4a-4979-9340-44555f3dba5c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(-c2oc3c(C#N)cc(OC)cc3c2I)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(-c2oc3c(C#N)cc(OC)cc3c2I)cc1",
    "ref_smiles": "COc1ccc(-c2oc3c(C#N)cc(OC)cc3c2S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "5b7a6bbf-8a92-4503-af8f-e3290da930c8",
    "task": "sub",
    "question": "Modify the molecule FC(F)(F)CCC(Cl)c1cc(Br)c(Br)s1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)CCC(Cl)c1cc(Br)c(Br)s1",
    "ref_smiles": "O=C([OH])C(F)(F)CCC(Cl)c1cc(Br)c(Br)s1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "8b798245-fd00-4681-85f3-5d9cf433dd4f",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C[NH2+]Cc2ccccc2Cl)ccc1Br by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C[NH2+]Cc2ccccc2Cl)ccc1Br",
    "ref_smiles": "Cc1cc(C[NH2+]Cc2ccccc2C(=O)[OH])ccc1Br",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "16dbb43a-3b7e-46e0-8706-97e2a37eac7d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)c1)c1cccnc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)c1)c1cccnc1",
    "ref_smiles": "O=C(Nc1cccc(C(=O)Nc2ccccc2Oc3ccc(C=O)cc3)c1)c1cccnc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f5cae44e-22b0-4452-bdf6-4d026b0e3603",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1c(C)c(C)c(Cl)c(C)c1C1C[NH2+]CCO1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(C)c(C)c(Cl)c(C)c1C1C[NH2+]CCO1",
    "ref_smiles": "COc1c(C)c(C)c([N+](=O)[O-])c(C)c1C1C[NH2+]CCO1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6310ed0a-b82a-4d08-ab3e-9eb58bb1d659",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NNC(=O)c1ccco1)c1ccc(Br)c([N+](=O)[O-])c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NNC(=O)c1ccco1)c1ccc(Br)c([N+](=O)[O-])c1",
    "ref_smiles": "O=C(NNC(=O)c1ccco1)c1ccc(C=O)c([N+](=O)[O-])c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "98bfce04-8a0b-4e9e-8459-909e8f7827b5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cnccc1Cn1c(CCl)nc2cc(Cl)c(Cl)cc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cnccc1Cn1c(CCl)nc2cc(Cl)c(Cl)cc21",
    "ref_smiles": "Cc1cnccc1Cn1c(CC#N)nc2cc(Cl)c(Cl)cc21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "c4873ebb-e134-47f9-8461-bd5d6c50db89",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1c(S(=O)(=O)Cl)cc(C(F)F)nc1Br with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(S(=O)(=O)Cl)cc(C(F)F)nc1Br",
    "ref_smiles": "COc1c(S(=O)(=O)C(=O)[OH])cc(C(F)F)nc1Br",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "9bcfe397-4dad-4df0-b086-29b37e04ece3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=CC(=O)[O-])Cn1ccc2cc(Br)ccc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=CC(=O)[O-])Cn1ccc2cc(Br)ccc21",
    "ref_smiles": "CC(=CC(=O)[O-])Cn1ccc2cc(C#N)ccc21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3353939f-e01c-43b8-a1f5-ee31e80e73bd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1c2c(cc3c1OCC3)OCC2)c1ccc(Cl)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1c2c(cc3c1OCC3)OCC2)c1ccc(Cl)cc1",
    "ref_smiles": "N#Cc1ccc(C(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "9198c683-d3eb-4083-a34a-205d0cbbc205",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)NC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(F)c(NC(=O)c4cccc(F)c4)c3)CC2)c(C)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)NC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(F)c(NC(=O)c4cccc(F)c4)c3)CC2)c(C)c1",
    "ref_smiles": "CC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)NC(C)CC)cc3C)CC2)cc1NC(=O)c1cccc(F)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f1601a64-a004-4794-9d09-095fad02fffb",
    "task": "sub",
    "question": "Please substitute a thiol in the molecule CC(C)CC(NC(=O)C([NH3+])CC(=O)[O-])C(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)[O-] with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(NC(=O)C([NH3+])CC(=O)[O-])C(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)[O-]",
    "ref_smiles": "CC(C)CC(NC(=O)C([NH3+])CC(=O)[O-])C(=O)N1CCCC1C(=O)NCC(=O)NC(CF)C(=O)[O-]",
    "add_group": "halo",
    "remove_group": "thiol"
  },
  {
    "id": "fe1706df-ce40-496c-a498-2533f283b8bb",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCC=CCCCCCCCCCCCCCC(O)(C[N+](C)(C)C)P(=O)([O-])[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCC=CCCCCCCCCCCCCCC(O)(C[N+](C)(C)C)P(=O)([O-])[O-]",
    "ref_smiles": "CCCCCCC=CCCCCCCCCCCCCCC(S)(C[N+](C)(C)C)P(=O)([O-])[O-]",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1637f74a-1c7a-4d0d-9dbe-863bc3f35c7e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]C(C1=CCCO1)c1coc(Br)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(C1=CCCO1)c1coc(Br)c1",
    "ref_smiles": "C[NH2+]C(C1=CCCO1)c1coc(C#N)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e3b06d58-4ec5-4ab8-ba7b-a5efd08b258b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCO[P+]([O-])(OCC)C(NC1C(O)OC(CO)C(O)C1O)c1ccc(CC)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCO[P+]([O-])(OCC)C(NC1C(O)OC(CO)C(O)C1O)c1ccc(CC)cc1",
    "ref_smiles": "CCO[P+]([O-])(OCC)C(NC1C(S)OC(CO)C(O)C1O)c1ccc(CC)cc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "97d81ea8-94e3-4a88-a117-435b79ac4677",
    "task": "sub",
    "question": "Modify the molecule COc1cc(N2CCCC2)c(OC)cc1C=C(C#N)c1ccc(C(F)(F)F)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(N2CCCC2)c(OC)cc1C=C(C#N)c1ccc(C(F)(F)F)cc1",
    "ref_smiles": "COc1cc(N2CCCC2)c(OC)cc1C=C(C#N)c1ccc(C(F)(F)C(=O)O)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "776e01e4-0673-450b-a7ef-d7a134571f02",
    "task": "sub",
    "question": "Modify the molecule COc1cc(C[NH+]2CC(O)C2)ccc1OCC(O)C[NH+]1CCC(O)CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C[NH+]2CC(O)C2)ccc1OCC(O)C[NH+]1CCC(O)CC1",
    "ref_smiles": "COc1cc(C[NH+]2CC(C(=O)[OH])C2)ccc1OCC(O)C[NH+]1CCC(O)CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "820195ab-768b-40b8-b3ef-9ec928efd870",
    "task": "sub",
    "question": "Modify the molecule O=C(C1CC1c1cc(F)ccc1F)N1CC[NH2+]CC1c1ccccc1Cl by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C1CC1c1cc(F)ccc1F)N1CC[NH2+]CC1c1ccccc1Cl",
    "ref_smiles": "O=C(C1CC1c1c(C=O)cc(F)cc1)N1CC[NH2+]CC1c1ccccc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "77605cef-ba4b-4fbb-aa55-5efc3421c017",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccc(F)cc3)C2c2ccco2)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccc(F)cc3)C2c2ccco2)cc1",
    "ref_smiles": "CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2c2ccco2)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "0e741ca4-10ab-494d-9e0a-500c0882bfbf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1)c1cccc(F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1)c1cccc(F)c1",
    "ref_smiles": "N#Cc1cccc(Cl)c1CN(C(=O)CNC(=O)c1cccc(F)c1)C1CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e8ec5f51-2a01-4740-ac69-51abdac7b2cd",
    "task": "sub",
    "question": "Modify the molecule O=C(CC1CCOCC1)NC1CC(Oc2cccc(F)c2)C(O)C1[NH+]1CCc2ccccc2C1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CC1CCOCC1)NC1CC(Oc2cccc(F)c2)C(O)C1[NH+]1CCc2ccccc2C1",
    "ref_smiles": "O=C(CC1CCOCC1)NC1CC(Oc2cccc(S)c2)C(O)C1[NH+]1CCc2ccccc2C1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "f39a9b50-ba6e-41ef-b857-08d772c4f5b9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)(C)C(=O)OC1(C(OC(C)=O)(C(F)(F)F)C(F)(F)F)CCCC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)(C)C(=O)OC1(C(OC(C)=O)(C(F)(F)F)C(F)(F)F)CCCC1",
    "ref_smiles": "CCC(C)(C)C(=O)OC1(C(OC(C)=O)(C=O)CCCC1)",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cbe8e639-124f-49d0-9a9d-ef362dbf79cb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccccc1CNC(=O)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccccc1CNC(=O)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1",
    "ref_smiles": "Cc1ccccc1CNC(=O)c1ccc2c(c1)CC(=O)N2Cc1ccc(C(=O)O)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "68043a02-8a08-470f-a856-17e664fd074e",
    "task": "sub",
    "question": "Modify the molecule C[NH+](C)CCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)CC(C)(C)C)c6)cc45)cc23)c1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](C)CCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)CC(C)(C)C)c6)cc45)cc23)c1",
    "ref_smiles": "C[NH+](C)CCOc1cc(O)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)CC(C)(C)C)c6)cc45)cc23)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "107ff357-18fc-459a-a4f9-abe0ae93606b",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)C1CCN(C(=O)OCc2ccccc2)C(C#N)C1 by substituting a nitrile with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C1CCN(C(=O)OCc2ccccc2)C(C#N)C1",
    "ref_smiles": "CCOC(=O)C1CCN(C(=O)OCc2ccccc2)C(Br)C1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "2ba711ac-8cec-46c6-90a6-e43d7983ed2a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCC(C=C(C)C(=O)[O-])C(CC)CO with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(C=C(C)C(=O)[O-])C(CC)CO",
    "ref_smiles": "CCCC(C=C(C)C(=O)[O-])C(CC)CBr",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6605e5c8-6258-4d85-a91f-dbac1a8aafc7",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C[NH2+]CC1CC(O)c2c(OC)c(OC)cc(OC)c21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]CC1CC(O)c2c(OC)c(OC)cc(OC)c21",
    "ref_smiles": "CC(=O)C1CC(C[NH2+]C)c2c(OC)cc(OC)c(OC)c21",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "aa1f9425-2a8d-4ea3-a611-e1aa77355e1d",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)C12CN(C(=O)OC(C)C)CC(=O)C1(c1ccc(Cl)c(Cl)c1)C2 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C12CN(C(=O)OC(C)C)CC(=O)C1(c1ccc(Cl)c(Cl)c1)C2",
    "ref_smiles": "CCOC(=O)C12CN(C(=O)OC(C)C)CC(=O)C1(c1ccc(C#N)c(Cl)c1)C2",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "71338751-9774-456f-9214-f88102af68ec",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)C(Br)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C(Br)CCCCC1CCN(C(=O)OC(C)(C)C)CC1",
    "ref_smiles": "CCOC(=O)C(C#N)CCCCC1CCN(C(=O)OC(C)(C)C)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "230a48e5-614c-4e39-9512-8f3b4db69103",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CCC(Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCC(Nc2cc(Cl)cc(C(F)(F)F)c2)CC1",
    "ref_smiles": "CC(=O)c1cc(NC2CCC(C)CC2)cc(C(F)(F)F)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8156d6ca-358c-4d5d-bad3-1817965f741b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNC(=O)c1cccc(CN(CC(F)(F)F)C2CCC2)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)c1cccc(CN(CC(F)(F)F)C2CCC2)c1",
    "ref_smiles": "CNC(=O)c1cccc(CN(CC(F)(F)C#N)C2CCC2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "820b06c7-3aa7-4fe7-9136-fb89bca6f05b",
    "task": "sub",
    "question": "Modify the molecule Brc1cnc(-n2cnc3c2CCCC3)c(C[NH2+]C2CC2)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Brc1cnc(-n2cnc3c2CCCC3)c(C[NH2+]C2CC2)c1",
    "ref_smiles": "Sc1cnc(-n2cnc3c2CCCC3)c(C[NH2+]C2CC2)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "8e9812b2-d9c5-40a9-83cd-b0efaa3f0e85",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2N(Cc2ccc(F)cc2)C1=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2N(Cc2ccc(F)cc2)C1=O",
    "ref_smiles": "CC1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2N(Cc2ccc(C#N)cc2)C1=O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "b805448f-1088-4fc3-a114-bffbf895d859",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3Cl)c2-c2nc3ccccc3s2)C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3Cl)c2-c2nc3ccccc3s2)C1",
    "ref_smiles": "CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3NO2)c2-c2nc3ccccc3s2)C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c6250a7a-bb20-4985-a5e9-3a0b9e90065e",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)c1cc([N+](=O)[O-])c(SCCCO)s1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)c1cc([N+](=O)[O-])c(SCCCO)s1",
    "ref_smiles": "CC(I)c1cc([N+](=O)[O-])c(SCCCO)s1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1147c84a-a43d-4e20-8e9c-c5ab5b378e3a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCc1ccc(Br)cc1)c1cc(Br)sc1Br with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCc1ccc(Br)cc1)c1cc(Br)sc1Br",
    "ref_smiles": "ONc1ccc(CNC(=O)c2cc(Br)sc2Br)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "cc70a4ea-4eb6-4813-8fa1-74bdf5954935",
    "task": "sub",
    "question": "Modify the molecule NC(=O)Cc1ccc(S(=O)(=O)Cl)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)Cc1ccc(S(=O)(=O)Cl)cc1",
    "ref_smiles": "NC(=O)Cc1ccc(S(=O)(=O)C(=O)[OH])cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3682a521-b0a8-4904-b125-8487970793cc",
    "task": "sub",
    "question": "Modify the molecule CCC[NH2+]C(c1ccc(CCOC)cc1)c1ccc(Br)o1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH2+]C(c1ccc(CCOC)cc1)c1ccc(Br)o1",
    "ref_smiles": "CCC[NH2+]C(c1ccc(CCOC)cc1)c1ccc(C(=O)[OH])o1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a6739e9a-55af-4858-8f1b-6d61c0c5c1a6",
    "task": "sub",
    "question": "Modify the molecule N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1F by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1F",
    "ref_smiles": "ONCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1F",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "6076b6aa-b612-437a-ad94-e6acf5961b25",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)OC(=O)N1CCC(NC(=S)N2CCCCC2CCO)CC1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)N1CCC(NC(=S)N2CCCCC2CCO)CC1",
    "ref_smiles": "CC(C)(C)OC(=O)N1CCC(NC(=S)N2CCCCC2CC[N+](=O)[O-])CC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0c5a5f52-0964-4427-99e3-3b526243ffbf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C=Cc1ccc(F)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=Cc1ccc(F)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1",
    "ref_smiles": "O=C(C=Cc1ccc(O)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "b8dffa91-5f9e-41a6-a4ac-c981d8f1b3e2",
    "task": "sub",
    "question": "Modify the molecule CCCCN(C(=O)NCO)C(=O)OC(C)(C)C by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCN(C(=O)NCO)C(=O)OC(C)(C)C",
    "ref_smiles": "CCCCN(C(=O)NCNO)C(=O)OC(C)(C)C",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a5ba903d-0a78-492f-ac5d-717ff68e9ef1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1",
    "ref_smiles": "CC(=O)c1cnc2nnn(C(=O)c3cc4cccnc4cc3)c2n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8f1b867f-f7d3-4ab7-a207-07ce7c11fed1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC[NH+]1CCCC1CNC(=O)NCC(C)(O)c1ccc(F)cc1F with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+]1CCCC1CNC(=O)NCC(C)(O)c1ccc(F)cc1F",
    "ref_smiles": "CC[NH+]1CCCC1CNC(=O)NCC(C)(Cl)c1ccc(F)cc1F",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "edee943a-7bc8-4b0c-97e0-86fcc97af192",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC1(O)C(O)c2c(c3c([O-])c4c(=O)ccc(=O)c4c([O-])c3c2=[N+]=[N-])C2OC3(CC)C(O)c4c(c5c([O-])c6c(=O)ccc(=O)c6c([O-])c5c4=[N+]=[N-])C(O)C3C21 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1(O)C(O)c2c(c3c([O-])c4c(=O)ccc(=O)c4c([O-])c3c2=[N+]=[N-])C2OC3(CC)C(O)c4c(c5c([O-])c6c(=O)ccc(=O)c6c([O-])c5c4=[N+]=[N-])C(O)C3C21",
    "ref_smiles": "CCC1(S)C(O)c2c(c3c([O-])c4c(=O)ccc(=O)c4c([O-])c3c2=[N+]=[N-])C2OC3(CC)C(O)c4c(c5c([O-])c6c(=O)ccc(=O)c6c([O-])c5c4=[N+]=[N-])C(O)C3C21",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2da5a179-db8d-42ff-9879-0f2812a5e20a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2",
    "ref_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "af3ca804-a847-478b-9a74-c3e3163de1d4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C[NH+]2C3CCC2CC(=O)C3)ccc1F with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C[NH+]2C3CCC2CC(=O)C3)ccc1F",
    "ref_smiles": "Cc1cc(C[NH+]2C3CCC2CC(=O)C3)ccc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "f68fbd5c-d048-4f79-a446-7de21f5fbea8",
    "task": "sub",
    "question": "Modify the molecule CCCOCC(Cc1cncc(Br)c1)[NH2+]CC by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOCC(Cc1cncc(Br)c1)[NH2+]CC",
    "ref_smiles": "CCCOCC(Cc1cncc(NO)c1)[NH2+]CC",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e0749dc9-6d00-4998-b9ad-baac435a5489",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule N#CC(=C[NH2+]Cc1ccccc1Br)C(=O)Nc1ccccc1O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC(=C[NH2+]Cc1ccccc1Br)C(=O)Nc1ccccc1O",
    "ref_smiles": "N#CC(=C[NH2+]Cc1ccccc1Br)C(=O)Nc1ccccc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e91ee108-6288-4647-b6ec-83f0e836ab07",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OCC with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OCC",
    "ref_smiles": "CCCCOc1c(S)cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OCC",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "17ac3881-7286-415f-a4bb-19a82e1f02e1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1",
    "ref_smiles": "CCCC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3S)c2Cl)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "673beea1-676d-4817-9da0-47dc8bdef7bf",
    "task": "sub",
    "question": "Modify the molecule CCCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl",
    "ref_smiles": "CCCNC(=O)C(C)N(Cc1ccc(C(=O)O)cc1)C(=O)Cc1ccccc1Cl",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "06835f38-ac61-49b4-a3ba-e212f815858d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O",
    "ref_smiles": "CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1[N+](=O)[O-]",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "884e1864-17aa-4cbf-b149-4785097b5135",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(F)ccc1NC(=O)N1CC2(CCCC2)C1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(F)ccc1NC(=O)N1CC2(CCCC2)C1",
    "ref_smiles": "Cc1cc(C#N)ccc1NC(=O)N1CC2(CCCC2)C1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "5f537486-31d8-4b14-b3fc-0646173b8c5a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCC(O)c1ccc(CN(Cc2ccc(OCC(=O)[O-])cc2)S(=O)(=O)c2ccccn2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCC(O)c1ccc(CN(Cc2ccc(OCC(=O)[O-])cc2)S(=O)(=O)c2ccccn2)cc1",
    "ref_smiles": "CCCCCC(C#N)c1ccc(CN(Cc2ccc(OCC(=O)[O-])cc2)S(=O)(=O)c2ccccn2)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b8114ab0-e273-4fae-aad9-5c68b609b1ed",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(OC(C)(C)C)C(NC(=O)CNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(OC(C)(C)C)C(NC(=O)CNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)[O-]",
    "ref_smiles": "CC(OC(C)(C)C)C(NC(=O)CNS(=O)(=O)c1ccc(-c2ccc(S)cc2)cc1)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "834ceea8-e651-4fb5-a809-4e1cedafc84d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1CCC(Nc2ccc(O)cc2)c2ccccc21 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCC(Nc2ccc(O)cc2)c2ccccc21",
    "ref_smiles": "CC1CCC(Nc2ccc(C#N)cc2)c2ccccc21",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "22cdeca4-ea0d-4d3d-a073-49bed29f880c",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CCN1CC[NH+](C2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN1CC[NH+](C2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1",
    "ref_smiles": "CCN1CC[NH+](C2CCN(c3cc(CO)ccc3I)C2)CC1",
    "add_group": "halo",
    "remove_group": "nitro"
  },
  {
    "id": "f9209aa4-37e5-43d0-96e6-39227e124e70",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1",
    "ref_smiles": "CC(C)(I)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0f4a3e62-788d-45e1-ba63-73901ccf7e3b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(C(=O)OC)C(C)=NCCCO with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C(=O)OC)C(C)=NCCCO",
    "ref_smiles": "CCC(C(=O)OC)C(C)=NCCCC#N",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "62435059-d2db-4c59-9d65-ad7472fe9859",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(OC3C(Oc4c(-c5ccc(O)c(O)c5)oc5cc(=O)cc([O-])c-5c4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(OC3C(Oc4c(-c5ccc(O)c(O)c5)oc5cc(=O)cc([O-])c-5c4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O",
    "ref_smiles": "CC(=O)c1ccc(C=CC(=O)OCC2OC(OC3C(OC4C(Oc5c(-c6ccc(O)c(O)c6)oc6cc(=O)cc([O-])c-6c5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)cc1O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "412a28fa-aaf2-4759-b8d3-8a01c658a742",
    "task": "sub",
    "question": "Modify the molecule N#Cc1cccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)c1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1cccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)c1",
    "ref_smiles": "N#Cc1cccc(-c2nc(-c3ncc(C(O)(F)F)cc3Cl)no2)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "d02e9fa7-1dfa-4446-bc79-c05ee3bc4d0e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(CC)N(CCO)c1ccc(C[NH3+])cc1F with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)N(CCO)c1ccc(C[NH3+])cc1F",
    "ref_smiles": "CCC(CC)N(CCO)c1ccc(C[NH3+])cc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c0fed816-b82d-4c5f-bb76-934e4bfe2a32",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(-c2c(N)c(C#N)nc3sc4c(c23)CCCC4)cc1 by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(-c2c(N)c(C#N)nc3sc4c(c23)CCCC4)cc1",
    "ref_smiles": "Cc1ccc(-c2c(N)c(S)nc3sc4c(c23)CCCC4)cc1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "54664f03-4b3e-4a42-88f6-918a623eb3d0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N2CCOCC2)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N2CCOCC2)n1",
    "ref_smiles": "Cc1cc(=O)n(CC(=O)NCc2ccccc2C(=O)O)c(N2CCOCC2)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "1593a70e-73c7-40b4-aa4c-e9123a6d4bdd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(F)c2)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(F)c2)n1",
    "ref_smiles": "CCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2cccc(C(=O)[OH])c2)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "4f7f0c2d-0c54-48e2-bb9d-d748906370de",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(Cl)ccc1C(=O)NC1(CO)CCC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Cl)ccc1C(=O)NC1(CO)CCC1",
    "ref_smiles": "Cc1cc(Cl)ccc1C(=O)NC1(C(NO2))CCC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7b295bc8-e87f-48f9-a362-5bed2faeb2fe",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C1COC1)N1CC[NH+](CC2=C(c3ccc(Cl)cc3)[NH2+]C3CNC(C4CC4)=CN23)CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C1COC1)N1CC[NH+](CC2=C(c3ccc(Cl)cc3)[NH2+]C3CNC(C4CC4)=CN23)CC1",
    "ref_smiles": "O=C(C1COC1)N1CC[NH+](CC2=C(c3ccc(S)cc3)[NH2+]C3CNC(C4CC4)=CN23)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "f98046cd-656c-44f3-b416-848fd273714f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+](Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)o1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+](Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)o1",
    "ref_smiles": "O=C([OH])c1ccc(C[NH+](Cc2ccc3c(c2)OCO3)Cc2ccc(C(=O)NCC[NH+]3CCOCC3)o2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e5168ca2-1520-4610-985e-9f2143578462",
    "task": "sub",
    "question": "Modify the molecule N#Cc1c2c(nn1C1CCCC1)CCCC2 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1c2c(nn1C1CCCC1)CCCC2",
    "ref_smiles": "ONc1c2c(nn1C1CCCC1)CCCC2",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "23fc9d52-910e-46ed-8332-179d4bc9a90c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1",
    "ref_smiles": "COc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2[N+](=O)[O-])o1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "72d8fa54-d59c-4d7f-a230-5b1f253d331f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccnn1Cc1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccnn1Cc1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1",
    "ref_smiles": "Cc1ccnn1Cc1nnc(Nc2ccn(Cc3c(S)cccc3Cl)n2)s1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "473a1a1b-d176-4643-9180-bfe666f5c2e7",
    "task": "sub",
    "question": "Modify the molecule C=CCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O",
    "ref_smiles": "C=CCOc1ccc(O)cc1C=C1C(=O)NC(=S)NC1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "79f176ef-9c58-429c-a8ee-9634ff0ecae4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1CCCN1S(=O)(=O)c1ccc(Br)s1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CCCN1S(=O)(=O)c1ccc(Br)s1",
    "ref_smiles": "N#Cc1ccc(S(=O)(=O)N2CCCC2=O)s1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "051b8389-c17b-46c0-bbc6-77ed9fbf095a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(NC(=O)C1CC2CCC1O2)C(O)Cc1ccccc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)C1CC2CCC1O2)C(O)Cc1ccccc1",
    "ref_smiles": "CC(NC(=O)C1CC2CCC1O2)C(C(=O)c1ccccc1)CC",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "eb53fa20-2dc9-443a-9337-c614f1536d2f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CS(=O)(=O)CCNCCOc1ccccc1OC(F)(F)F with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)CCNCCOc1ccccc1OC(F)(F)F",
    "ref_smiles": "CS(=O)(=O)CCNCCOc1ccccc1OC(F)(F)C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "2ef1e0da-ca7b-4ca0-ac34-9efadc624e5e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCNC(NCC(SC)c1cccc(Cl)c1)=[NH+]CC(=O)NC(C)(C)C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(NCC(SC)c1cccc(Cl)c1)=[NH+]CC(=O)NC(C)(C)C",
    "ref_smiles": "CCNC(NCC(SC)c1ccc(C=O)cc1)=[NH+]CC(=O)NC(C)(C)C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e76cabea-9fa1-4733-ba4f-385a497c5cd3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCOc1cccc(C2C(c3ccc(OC)c(OCC)c3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)c1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1cccc(C2C(c3ccc(OC)c(OCC)c3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)c1",
    "ref_smiles": "CCCOc1cccc(C2C(c3ccc(OC)c(OCC)c3)=C(F)C(=O)N2c2ccc(N3CCCCC3)cc2)c1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2a109678-49b4-4f8c-9ab2-9394cd03f650",
    "task": "sub",
    "question": "Modify the molecule CC(C)[NH2+]CC(Cc1cc(Br)cs1)C1CCS(=O)(=O)C1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)[NH2+]CC(Cc1cc(Br)cs1)C1CCS(=O)(=O)C1",
    "ref_smiles": "CC(C)[NH2+]CC(Cc1cc(C(=O)[OH])cs1)C1CCS(=O)(=O)C1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7af988b5-78f7-4e9a-b22b-f6a3a593c77a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cc1c(Cl)cccc1Cl)C1=COCCC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cc1c(Cl)cccc1Cl)C1=COCCC1",
    "ref_smiles": "O=C(Cc1c(S)cccc1Cl)C1=COCCC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "296f5420-dea5-4516-92e3-2b3e72f686e7",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCOc1ccc(CSc2nc3c(cc2C#N)CCCCC3)cc1-n1nc2ccccc2n1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(CSc2nc3c(cc2C#N)CCCCC3)cc1-n1nc2ccccc2n1",
    "ref_smiles": "CCOc1ccc(CSc2nc3c(cc2S)CCCCC3)cc1-n1nc2ccccc2n1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "8b41f5e3-1a0b-4210-831a-bd28698d083b",
    "task": "sub",
    "question": "Modify the molecule CC([NH3+])C1=[NH+]N(c2cccc(Cl)c2)C2SC=NN12 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH3+])C1=[NH+]N(c2cccc(Cl)c2)C2SC=NN12",
    "ref_smiles": "CC([NH3+])C1=[NH+]N(c2cccc(S)c2)C2SC=NN12",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "d5348ae3-a847-4bb7-b219-707604427ab2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1nc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(-c3ccccc3F)c2c1N with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1nc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(-c3ccccc3F)c2c1N",
    "ref_smiles": "CC(=O)c1ccccc1-c1nc(N2CCN(C(=O)C3CCCO3)CC2)nc2nn(C)c(N)c12",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cdb83bdb-fd14-46ef-b69d-64bc7e841a6b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(COC1CC[NH2+]C1)Nc1ccccc1Cl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(COC1CC[NH2+]C1)Nc1ccccc1Cl",
    "ref_smiles": "O=C(COC1CC[NH2+]C1)Nc1ccc(C=O)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "864be90f-c4b3-4ab7-8355-43a03b91c836",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(C(=O)N(C)CC(O)C(F)(F)F)c2c(C)noc2n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C(=O)N(C)CC(O)C(F)(F)F)c2c(C)noc2n1",
    "ref_smiles": "CC(=O)C(CN(C)C(=O)c1cc(C)nc2onc(C)c12)C(F)(F)F",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "8717a0b5-b7cb-4355-8cea-3db5d584ef92",
    "task": "sub",
    "question": "Modify the molecule CCCN(C(N)=[NH2+])c1ccc(F)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(C(N)=[NH2+])c1ccc(F)cc1",
    "ref_smiles": "CCCN(C(N)=[NH2+])c1ccc(C(=O)[OH])cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "0a87697d-d9fa-4c2e-8376-7b65d7dcd3a2",
    "task": "sub",
    "question": "Modify the molecule CC(C)CC(=O)N1CCc2nc(NC(=O)CCl)sc2C1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(=O)N1CCc2nc(NC(=O)CCl)sc2C1",
    "ref_smiles": "CC(C)CC(=O)N1CCc2nc(NC(=O)C([N+](=O)[O-])sc2C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "8ac60bad-18a0-4cb9-81be-2bab294e285d",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCCCCc1c(cc3ccccc3[n+]1O)O2)C(=O)NS(=O)(=O)C1CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCCCCc1c(cc3ccccc3[n+]1O)O2)C(=O)NS(=O)(=O)C1CC1",
    "ref_smiles": "CCC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCCCCc1c(cc3ccccc3[n+]1NO)O2)C(=O)NS(=O)(=O)C1CC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "814212c0-c97f-4c1c-bf28-a4eab06242c0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCCCOC(=O)C=CCl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCOC(=O)C=CCl",
    "ref_smiles": "CCCCCCCCCOC(=O)C=CC(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7bcc3b1a-7e0d-4050-8d5e-a64db759d87f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(O)C(C)(C)C[NH+]1CCCCC1CCO with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)C(C)(C)C[NH+]1CCCCC1CCO",
    "ref_smiles": "CC(C#N)C(C)(C)C[NH+]1CCCCC1CCO",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "05fef804-38be-4cae-87bd-9013b8a813b3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(CCc2ccc(OC)cc2Cl)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(CCc2ccc(OC)cc2Cl)cc1",
    "ref_smiles": "COc1ccc(CCc2ccc(OC)cc2C#N)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "9d980baa-011d-4a18-b85a-2cbfa5858ad2",
    "task": "sub",
    "question": "Modify the molecule Cc1cccc(C(C)C)c1NC(=O)C(C#N)=C[NH2+]CCCCCO by substituting a nitrile with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C(C)C)c1NC(=O)C(C#N)=C[NH2+]CCCCCO",
    "ref_smiles": "Cc1cccc(C(C)C)c1NC(=O)C(O)=C[NH2+]CCCCCO",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "0644c651-8564-4d5b-948c-c350bcd0d44f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCN1C(=O)NC(=Cc2cc(Br)c(OCC)cc2OCC)C1=O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN1C(=O)NC(=Cc2cc(Br)c(OCC)cc2OCC)C1=O",
    "ref_smiles": "CCCN1C(=O)NC(=Cc2cc(C=O)c(OCC)cc2OCC)C1=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "dbac7e26-b8c8-472d-bf9f-b637a3322260",
    "task": "sub",
    "question": "Modify the molecule COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1",
    "ref_smiles": "COc1cccc(CN2CCCN(Cc3ccc(NO)cc3)S2(=O)=O)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "356f4bc4-3764-4872-a6da-0ed53d775d0b",
    "task": "sub",
    "question": "Modify the molecule N#Cc1c(NC2C[NH2+]C2)nn(C2CCCCC2O)c1N by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1c(NC2C[NH2+]C2)nn(C2CCCCC2O)c1N",
    "ref_smiles": "N#Cc1c(NC2C[NH2+]C2)nn(C2CCCCC2F)c1N",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1bb894d4-128b-47d1-942c-675e442665eb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])CCc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CCc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1",
    "ref_smiles": "O=C([O-])CCc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "35967a39-71b1-48e5-8e5f-a7fee9861c03",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Fc1cccc(F)c1-c1cccc(Br)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1cccc(F)c1-c1cccc(Br)n1",
    "ref_smiles": "CC(=O)c1cccc(F)c1-c1cccc(Br)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8fd99497-ebe6-4bc7-8045-254447e83f6d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(CNc1cc2ccccc2c(Cl)n1)N1CCCC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CNc1cc2ccccc2c(Cl)n1)N1CCCC1",
    "ref_smiles": "CC(=O)c1nc(NCC(=O)N2CCCC2)cc2ccccc12",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ea727a37-4d92-4bf6-b7db-5aa74111a8af",
    "task": "sub",
    "question": "Modify the molecule CC1CCCC1C[NH2+]Cc1cc(Cl)cc(Cl)c1O by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CCCC1C[NH2+]Cc1cc(Cl)cc(Cl)c1O",
    "ref_smiles": "CC1CCCC1C[NH2+]Cc1cc(Cl)cc(Cl)c1C#N",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9cf4fbed-ae4d-420f-8d39-4397cc0c8ebe",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(C[NH+](CCO)C1CCCCC1)Nc1cccc(C(F)(F)F)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C[NH+](CCO)C1CCCCC1)Nc1cccc(C(F)(F)F)c1",
    "ref_smiles": "O=C(C[NH+](CCO)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "2b1f412e-5903-4fce-9c9e-51f57ef01631",
    "task": "sub",
    "question": "Modify the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)C(C)C)CC2)cccc1C(=O)Nc1ccc(F)cc1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)C(C)C)CC2)cccc1C(=O)Nc1ccc(F)cc1",
    "ref_smiles": "CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)C(C)C)CC2)cccc1C(=O)Nc1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "de08fe33-ece5-4a37-b14b-9b835b9bf39f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(I)cc2)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(I)cc2)c1",
    "ref_smiles": "CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(S)cc2)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "27cdfb0a-a3fc-4108-b047-a9803a685b09",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([O-])c1nc(CN2CC[NH2+]CC2)n2c(Cl)cccc12 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1nc(CN2CC[NH2+]CC2)n2c(Cl)cccc12",
    "ref_smiles": "O=C([O-])c1nc(CN2CC[NH2+]CC2)n2c(O)cccc12",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "e614ae11-f012-4520-b6c9-228136ffacd4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1cccc(Cn2cnc(C[NH2+]C3CC3)c2)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1cccc(Cn2cnc(C[NH2+]C3CC3)c2)c1",
    "ref_smiles": "FC(F)(S)c1cccc(Cn2cnc(C[NH2+]C3CC3)c2)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "51d9e762-0cd3-4761-98f2-7f8af6c1eb88",
    "task": "sub",
    "question": "Modify the molecule O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(F)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(F)c1",
    "ref_smiles": "N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fa3763e3-535b-446f-8f6f-ab5589b6a88c",
    "task": "sub",
    "question": "Modify the molecule CC(C(=O)OC(C)CC(=C(C)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(CC(C)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C(=O)OC(C)CC(=C(C)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(CC(C)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F",
    "ref_smiles": "CC(C(=O)OC(C)CC(=C(C)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C(CC(C)[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cf5f5daf-2f61-4a1d-ac03-077db94cec64",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1-c1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1-c1ccccc1",
    "ref_smiles": "NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2S)c1-c1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "6abac77a-5933-4967-aafd-2eed74764744",
    "task": "sub",
    "question": "Modify the molecule O=C1NNC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1NNC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1",
    "ref_smiles": "O=C1NNC(=O)C1=Cc1ccc(-c2ccc(C=O)cc2)o1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "eb9a3389-66db-40fd-a06d-09f9c4f9158d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)Cc1ccc(NC(=O)c2nccc3ccc(F)cc23)c(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cc1ccc(NC(=O)c2nccc3ccc(F)cc23)c(Cl)c1",
    "ref_smiles": "COC(=O)Cc1ccc(NC(=O)c2nccc3ccc(F)cc23)c(C=O)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c1402c30-3ab5-4193-9485-491ba0c0a757",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1ccc2cc(C3([NH3+])CCCCN3C(=O)[O-])ccc2n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccc2cc(C3([NH3+])CCCCN3C(=O)[O-])ccc2n1",
    "ref_smiles": "[NH3+]C1(c2ccc3nc(NO)ccc3c2)CCCCN1C(=O)[O-]",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "c2c1bca0-ba69-4281-ac0e-071082060833",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(C(=O)CNc2ccc3ccccc3c2)oc2ccc(F)cc12 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(C(=O)CNc2ccc3ccccc3c2)oc2ccc(F)cc12",
    "ref_smiles": "Cc1c(C(=O)CNc2ccc3ccccc3c2)oc2ccc(C(=O)[OH])cc12",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e9d5172a-5e24-4f0a-9ef3-f9008db8b591",
    "task": "sub",
    "question": "Modify the molecule COCCOCC[NH2+]Cc1cc(Br)c(Cl)s1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCOCC[NH2+]Cc1cc(Br)c(Cl)s1",
    "ref_smiles": "COCCOCC[NH2+]Cc1cc(C(=O)[OH])c(Cl)s1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b5c2de93-99d7-4484-a2ef-74012c9fb9f7",
    "task": "sub",
    "question": "Modify the molecule COCCC(CCl)Cc1ccc(F)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCC(CCl)Cc1ccc(F)cc1",
    "ref_smiles": "COCCC(CC(=O)O)Cc1ccc(F)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "5998d2b1-e60a-4173-aa34-680e14dfbaeb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(c1ccc(Cl)cc1)N(C)c1cc(F)ccc1N with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(c1ccc(Cl)cc1)N(C)c1cc(F)ccc1N",
    "ref_smiles": "CC(c1ccc(C#N)cc1)N(C)c1cc(F)ccc1N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "19553580-3011-48df-8b3a-52b81ef65a9b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCOCC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCOCC1",
    "ref_smiles": "N#Cc1ccc(C(=O)NCCCC(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "a9eb0f91-45e1-4688-a7c4-78cd5722bfce",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1Cl",
    "ref_smiles": "O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "e3c180e9-cddc-40ed-9e42-fe0d8c2bb4dc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1cc2cc(Br)c(F)cc2nc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cc2cc(Br)c(F)cc2nc1Cl",
    "ref_smiles": "CCc1cc2cc(C(=O)[OH])c(F)cc2nc1Cl",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "cdeb9f2f-204e-4ed9-ac8c-77531490a4b1",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)C2CC(Br)C(Br)CC2C1=O by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)C2CC(Br)C(Br)CC2C1=O",
    "ref_smiles": "CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)C2CC(Br)C(C(=O)O)CC2C1=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "a79be756-0639-4e3e-962a-c72c23194903",
    "task": "sub",
    "question": "Modify the molecule Nc1ncnc2c1ncn2C1OC(CO[P+](=O)[O-])C(OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1ncnc2c1ncn2C1OC(CO[P+](=O)[O-])C(OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O",
    "ref_smiles": "Nc1ncnc2c1ncn2C1OC(CO[P+](=O)[O-])C(OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(Cl)C2O)C1O",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a17c7e14-2b98-4932-a82c-aa63abe81568",
    "task": "sub",
    "question": "Modify the molecule O=C(NC1CCCOc2c(F)cccc21)N1CC2CCC1C[NH2+]2 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC1CCCOc2c(F)cccc21)N1CC2CCC1C[NH2+]2",
    "ref_smiles": "O=C(NC1CCCOc2c(O)cccc21)N1CC2CCC1C[NH2+]2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "83921888-bc2a-4de3-a8ca-d9d06039dd28",
    "task": "sub",
    "question": "Modify the molecule CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)cc21 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)cc21",
    "ref_smiles": "CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCC#N)CC4)cc3)cc21",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "8b1fdfc7-6af1-424a-9d37-cae19dd7cb36",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Nc1cccc(OCC(=O)NCC(O)CO)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1cccc(OCC(=O)NCC(O)CO)c1",
    "ref_smiles": "Nc1cccc(OCC(=O)NCC(CO)NO)c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d8791e47-cf88-4047-8c62-f374073db0d8",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCC(CCCCCC)CCCc1ccc(O)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCC(CCCCCC)CCCc1ccc(O)cc1",
    "ref_smiles": "CCCCCCC(CCCCCC)CCCc1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bd680b94-e31e-413d-b27b-b9fa645c3a1c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(F)ccc1NC(C)C(=O)NC(C)(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(F)ccc1NC(C)C(=O)NC(C)(C)C",
    "ref_smiles": "COc1cc(NO2)ccc1NC(C)C(=O)NC(C)(C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "cd946f8c-f03a-4ea4-9c88-e4cc4ef6b814",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CN(c2cc(C(=O)N3Cc4cccc(Cl)c4C3)ccn2)CCO1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CN(c2cc(C(=O)N3Cc4cccc(Cl)c4C3)ccn2)CCO1",
    "ref_smiles": "CC1CN(c2cc(C(=O)N3Cc4cccc(S)c4C3)ccn2)CCO1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e8379d48-9861-4ac6-8b26-97bdf20ee051",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)OC(=O)NC1=[NH+]C(C)(c2nc(Br)ccc2F)C2CCN=S2(=O)C1(C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)NC1=[NH+]C(C)(c2nc(Br)ccc2F)C2CCN=S2(=O)C1(C)C",
    "ref_smiles": "CC(C)(C)OC(=O)NC1=[NH+]C(C)(c2nc(NO)ccc2F)C2CCN=S2(=O)C1(C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5048d62e-5f39-41b4-9811-271efd214ac0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCCCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCCCC1",
    "ref_smiles": "CC(C)c1cc(Nc2cccc(O)c2)ncc1C(=O)NC1CCCCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1a63924c-6b85-43a0-bacf-7b20583314f5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C",
    "ref_smiles": "Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(C#N)cc1C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "07a27e14-be74-4116-badd-a0ba6748807c",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(Br)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(Br)c1",
    "ref_smiles": "Cc1ccc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(C=O)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "98a1ccce-8fa9-4093-b01e-bc3e2c987fb1",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule N#Cc1cn(C2CC2)c2c(N3CC[NH+](CCc4ccccc4)CC3)ncnc12 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1cn(C2CC2)c2c(N3CC[NH+](CCc4ccccc4)CC3)ncnc12",
    "ref_smiles": "Brc1cn(C2CC2)c2c(N3CC[NH+](CCc4ccccc4)CC3)ncnc12",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "253b8f31-61fc-4c58-b25b-b70812f7d46d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(NCc1ccccc1F)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CCCC3)CCO2 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCc1ccccc1F)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CCCC3)CCO2",
    "ref_smiles": "O=C(NCc1ccccc1O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CCCC3)CCO2",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "9cd27f65-5d7b-46c2-976d-0116b2a3ced8",
    "task": "sub",
    "question": "Modify the molecule C[NH2+]C(CC1C[NH2+]CCO1)c1cc(Br)ccc1C by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C(CC1C[NH2+]CCO1)c1cc(Br)ccc1C",
    "ref_smiles": "C[NH2+]C(CC1C[NH2+]CCO1)c1cc(C#N)ccc1C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "b1b4b93a-3deb-4868-8511-83d009e82024",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)(OC)C(=O)c1ccc(F)cc1F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)(OC)C(=O)c1ccc(F)cc1F",
    "ref_smiles": "CCC(C)(OC)C(=O)c1ccc(S)cc1F",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "f8875fa0-4ff4-4418-bc2e-b3a24d58a039",
    "task": "sub",
    "question": "Modify the molecule C[NH+]=C(NCCOc1cccnc1)NCCc1cccc(F)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]=C(NCCOc1cccnc1)NCCc1cccc(F)c1",
    "ref_smiles": "C[NH+]=C(NCCOc1cccnc1)NCCc1cccc(NO)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7522a7cd-4951-49a6-a6e2-95da260ce6cf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1c(NC(=O)c2c(Br)c(C)nn2CC)c(-c2ccc3c(c2)OCO3)cn1C with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1c(NC(=O)c2c(Br)c(C)nn2CC)c(-c2ccc3c(c2)OCO3)cn1C",
    "ref_smiles": "CCOC(=O)c1c(NC(=O)c2c(C(=O)[OH])c(C)nn2CC)c(-c2ccc3c(c2)OCO3)cn1C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3580c932-e5e6-41f4-846a-58bf99fc0935",
    "task": "sub",
    "question": "Modify the molecule CCc1cnc(C(C)Nc2ncc(Br)c(OC)n2)s1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cnc(C(C)Nc2ncc(Br)c(OC)n2)s1",
    "ref_smiles": "CC(=O)c1cnc(NC(C)c2ncc(CC)s2)nc1OC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "9053d8fc-b310-4b52-b170-3ccfa8d9abd6",
    "task": "sub",
    "question": "Modify the molecule CC([NH3+])Cc1ccc(OCc2c(F)cccc2Cl)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH3+])Cc1ccc(OCc2c(F)cccc2Cl)cc1",
    "ref_smiles": "CC([NH3+])Cc1ccc(OCc2c(O)cccc2Cl)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "6d4da01b-99fd-4ab8-9a3a-27356d913cbf",
    "task": "sub",
    "question": "Modify the molecule CC(CO)C(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CO)C(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1",
    "ref_smiles": "CC(CC(=O)O)C(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4e3aab98-d9dc-4346-a85c-8dcc44b9b615",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1cc(C)ccc1OC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C(=O)Nc1cc(C)ccc1OC",
    "ref_smiles": "CC[NH+](CC(=O)Nc1c(Cl)cccc1C#N)C(C)C(=O)Nc1cc(C)ccc1OC",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "6d61f35e-3cc8-4c9b-b5c4-71da9c1a5c0b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)C(=CNc1ccc(F)cc1F)C(=O)OCC with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C(=CNc1ccc(F)cc1F)C(=O)OCC",
    "ref_smiles": "CCOC(=O)C(=CNc1ccc(O)cc1F)C(=O)OCC",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "b942bec0-43c8-47c7-a4ec-75b8d1ec7af7",
    "task": "sub",
    "question": "Modify the molecule NC(=[NH+]OC(=O)c1ccc(Br)cc1)c1ccncc1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=[NH+]OC(=O)c1ccc(Br)cc1)c1ccncc1",
    "ref_smiles": "N#Cc1ccc(C(=O)O[NH+]=C(N)c2ccncc2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "c33b4aad-4fe1-42f7-badd-0658fdf8e08b",
    "task": "sub",
    "question": "Modify the molecule Fc1c(CCl)cc(Br)c2sccc12 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1c(CCl)cc(Br)c2sccc12",
    "ref_smiles": "Oc1c(CCl)cc(Br)c2sccc12",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "b8fd0ce6-ff79-4d49-bdbd-71787bbb0034",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=c1cc([N+](=O)[O-])c(CBr)c[nH]1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1cc([N+](=O)[O-])c(CBr)c[nH]1",
    "ref_smiles": "O=c1cc([N+](=O)[O-])c(CO)c[nH]1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "d45853f9-8528-46cf-a397-49780e870c15",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)CC(=O)N1CC(NC(=O)OC(C)(C)C)CC(C(C)O)C1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(=O)N1CC(NC(=O)OC(C)(C)C)CC(C(C)O)C1",
    "ref_smiles": "CC(=O)C(C)C1CC(NC(=O)OC(C)(C)C)CN(C(=O)CC(C)C)C1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2496e458-d0ab-4e04-8c2e-2c35856353b4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Clc1ccc(CBr)c2nc[nH]c12 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1ccc(CBr)c2nc[nH]c12",
    "ref_smiles": "Oc1ccc(CBr)c2nc[nH]c12",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "db3cc6a6-72a1-45e4-bcf3-431908fcccb6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2Cl)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2Cl)CC1",
    "ref_smiles": "CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1NO)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2Cl)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "86a6fc3b-68a3-4554-9ac4-bcddd9e05419",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)c1csc(C2CN(c3ncnc4ccc(Br)cc34)CCO2)n1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)c1csc(C2CN(c3ncnc4ccc(Br)cc34)CCO2)n1",
    "ref_smiles": "CC(C)(C)c1csc(C2CN(c3ncnc4ccc(C#N)cc34)CCO2)n1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "31150bbb-e4ae-43c3-ba86-55f6433cb2c8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCC1",
    "ref_smiles": "COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1S(=O)(=O)N1CCCCC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "328cce04-6351-4b44-9252-ddb0c1bba466",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)Cc1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)Cc1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1",
    "ref_smiles": "COC(=O)Cc1csc(NC(=O)c2cc(Cl)cc(NO)c2)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "fea4bbc2-7305-4426-a349-255a05de7831",
    "task": "sub",
    "question": "Modify the molecule CCC(CC)N(C)c1ncc(F)cc1CCl by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CC)N(C)c1ncc(F)cc1CCl",
    "ref_smiles": "CC(=O)c1cnc(N(C)C(CC)CC)c(CCl)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "3e818a81-7f64-42f9-afeb-6f417614380b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC1CC([NH2+]C(C)c2cccc(Cl)c2)C12CCC2 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC1CC([NH2+]C(C)c2cccc(Cl)c2)C12CCC2",
    "ref_smiles": "CCOC1CC([NH2+]C(C)c2cccc(S)c2)C12CCC2",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "cbd52a09-f0b9-497d-8605-dfb092012c4d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C)c(F)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C)c(F)c1",
    "ref_smiles": "COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(C)c(O)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "ee7fbcc4-8c86-4554-b720-100245fb457f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCN(c1ccc(CC[NH3+])c(C(F)(F)F)c1)C1CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(c1ccc(CC[NH3+])c(C(F)(F)F)c1)C1CC1",
    "ref_smiles": "CCCN(c1ccc(CC[NH3+])c(C(F)(F)C(=O)O)c1)C1CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b0368257-5015-4492-8378-b25a561f0283",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6c[n+](C(C)OC(=O)NC7OC8COC(C)(C)OC8C7OC(=O)CN(C)C(=O)OC(C)(C)C)cn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6c[n+](C(C)OC(=O)NC7OC8COC(C)(C)OC8C7OC(=O)CN(C)C(=O)OC(C)(C)C)cn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O",
    "ref_smiles": "CCC(C(C)S)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6c[n+](C(C)OC(=O)NC7OC8COC(C)(C)OC8C7OC(=O)CN(C)C(=O)OC(C)(C)C)cn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "be816b55-def0-4471-a4c0-20e0b20d70ee",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCOc1cccnc1NCC1CCC(Cl)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCOc1cccnc1NCC1CCC(Cl)CC1",
    "ref_smiles": "CCCOc1cccnc1NCC1CCC(NO)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "aedf6a84-4215-42c3-9d4f-dc281ce7195f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4)c(CC(CC)C(C)=O)c3)n2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4)c(CC(CC)C(C)=O)c3)n2)cc1",
    "ref_smiles": "C=CS(=O)(=O)c1ccc(Nc2nc(C#N)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5c4)c(CC(CC)C(C)=O)c3)n2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3c66b67c-691a-4605-979e-d1b149059f9b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C)c(NC(=O)c2cc(F)cnc2N)c(C)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)c(NC(=O)c2cc(F)cnc2N)c(C)c1",
    "ref_smiles": "O=Cc1cc(C)c(NC(=O)c2ccc(N)nc2N)c(C)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "9c232473-9325-4dc3-a097-0f513df4ea24",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCC(C)[NH2+]Cc1ccccc1CO with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC(C)[NH2+]Cc1ccccc1CO",
    "ref_smiles": "CCCCC(C)[NH2+]Cc1ccccc1CNO",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9931c923-0813-4fe3-81c6-248348ece99d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)c1cnc(-c2ccc(F)c(F)c2)nc1N with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1cnc(-c2ccc(F)c(F)c2)nc1N",
    "ref_smiles": "COC(=O)c1cnc(-c2ccc(C(=O)[OH])c(F)c2)nc1N",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "ed5cfb0d-5300-4a4b-b07f-8aca07628c67",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(O)COC(C)C)CCO2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(O)COC(C)C)CCO2)cc1",
    "ref_smiles": "Cc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(C#N)COC(C)C)CCO2)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "29b48c80-697f-4133-9961-bb5b19f6bea5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C([S-])N(CC(Br)CBr)CC(Br)CBr with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([S-])N(CC(Br)CBr)CC(Br)CBr",
    "ref_smiles": "O=C([S-])N(CC(O)CBr)CC(Br)CBr",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c2414d0a-535d-421c-95f4-51ca2ecd4ccf",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1",
    "ref_smiles": "CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "393fe073-a91c-4e97-ab51-7c9b58637377",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(=O)c1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1",
    "ref_smiles": "CC(=O)c1c(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)sc2c1CCCC2",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "d37c76af-2881-4754-9560-1b0d606153d0",
    "task": "sub",
    "question": "Modify the molecule O=C(Cc1ccc(F)cc1)Nc1cc(-c2cnc3[nH]cccc2-3)ncn1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cc1ccc(F)cc1)Nc1cc(-c2cnc3[nH]cccc2-3)ncn1",
    "ref_smiles": "O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2cnc3[nH]cccc2-3)ncn1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "10c002f5-a0c7-4ba1-acf5-4e23f24e99b5",
    "task": "sub",
    "question": "Modify the molecule Fc1ccc(CC2C[NH2+]CCO2)c(F)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(CC2C[NH2+]CCO2)c(F)c1",
    "ref_smiles": "CC(=O)c1ccc(CC2C[NH2+]CCO2)c(F)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "d2cd2143-754f-4b4e-ac7a-11d384929665",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C#CCN(CC)C(=O)CCC(C)O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCN(CC)C(=O)CCC(C)O",
    "ref_smiles": "C#CCN(CC)C(=O)CCC(C)C#N",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1a6cd72a-2241-4d33-b084-f5a03b94e716",
    "task": "sub",
    "question": "Modify the molecule [C-]#[N+]c1ccc(Cl)cc1CC(=O)NC(C)(C)C by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[C-]#[N+]c1ccc(Cl)cc1CC(=O)NC(C)(C)C",
    "ref_smiles": "[C-]#[N+]c1ccc(C#N)cc1CC(=O)NC(C)(C)C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "b3344e1d-e49f-431d-b436-0f8aafe94eff",
    "task": "sub",
    "question": "Modify the molecule CC1(C)C=C(CCO)C(=O)CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)C=C(CCO)C(=O)CC1",
    "ref_smiles": "CC1(C)C=C(CCC(=O)O)C(=O)CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d58c0340-b171-4cac-b49a-47331c997679",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule COc1ccc(C[NH+]2C3CC2CN(c2ccc(-c4cc(OF)cn5ncc(C#N)c45)cn2)C3)cn1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C[NH+]2C3CC2CN(c2ccc(-c4cc(OF)cn5ncc(C#N)c45)cn2)C3)cn1",
    "ref_smiles": "CC(=O)c1cnn2cc(OF)cc(-c3ccc(N4CC5CC(C4)[NH+]5Cc4ccc(OC)nc4)nc3)c12",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "a7d4292b-0aec-4629-8efe-92778d66c913",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(NC(=O)N1CC[NH+]2CCOCC2C1)c1nc(-c2cccc(F)c2)no1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)N1CC[NH+]2CCOCC2C1)c1nc(-c2cccc(F)c2)no1",
    "ref_smiles": "CC(NC(=O)N1CC[NH+]2CCOCC2C1)c1nc(-c2cccc(C#N)c2)no1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "33859be9-4472-47eb-956a-ed30e610b6d9",
    "task": "sub",
    "question": "Modify the molecule N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1",
    "ref_smiles": "CC(=O)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "d0808540-af3c-4f48-a2a1-1bb8a22ab699",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1c(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1c(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC",
    "ref_smiles": "CCOc1c(C=C2SC(=S)N(c3ccccc3)C2=O)cc(CHO)cc1OC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "773ff13e-4bdb-49d4-841c-6acc7266785d",
    "task": "sub",
    "question": "Modify the molecule CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1",
    "ref_smiles": "CCCN(Cc1ccccc1)C(=O)Nc1ccc(S)c(F)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4cc763e2-67a1-4fe0-8c73-3a52f2bc9189",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)CC([NH3+])C(=O)NC1(C#N)CC[NH+](C2CCCCC2c2ccccc2)CC1 by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)CC([NH3+])C(=O)NC1(C#N)CC[NH+](C2CCCCC2c2ccccc2)CC1",
    "ref_smiles": "CC(=O)C1(NC(=O)C([NH3+])CC(C)(C)C)CC[NH+](C2CCCCC2c2ccccc2)CC1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "1677a0d6-c0fe-4506-8db5-0e223cc756f4",
    "task": "sub",
    "question": "Modify the molecule Oc1cc2ccc(C#CCn3ccnc3)cc2c(O)c1Cc1ccccc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Oc1cc2ccc(C#CCn3ccnc3)cc2c(O)c1Cc1ccccc1",
    "ref_smiles": "Oc1c(Cc2ccccc2)c(I)cc2ccc(C#CCn3ccnc3)cc12",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "dce42036-2628-41df-9fe8-85f10f3730ec",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Cl)nn2)no1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Cl)nn2)no1",
    "ref_smiles": "Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C#N)nn2)no1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "abd4cc43-4129-4fa5-b945-b7199e765795",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(NCCNC(=O)c1ccc(Cl)c(Cl)c1)=[NH+]CC1CCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(NCCNC(=O)c1ccc(Cl)c(Cl)c1)=[NH+]CC1CCC1",
    "ref_smiles": "NC(NCCNC(=O)c1ccc(O)c(Cl)c1)=[NH+]CC1CCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "fa39af57-c0c8-423d-8529-813fa9ecc596",
    "task": "sub",
    "question": "Modify the molecule COc1cc(Br)c(CNc2cnc(Cl)c(C)c2)cc1OC by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(Br)c(CNc2cnc(Cl)c(C)c2)cc1OC",
    "ref_smiles": "COc1cc(C#N)c(CNc2cnc(Cl)c(C)c2)cc1OC",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "53911e06-e4af-44ba-8c06-e7fb179a0537",
    "task": "sub",
    "question": "Modify the molecule Clc1cc(I)cc2c(Br)ccnc12 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Clc1cc(I)cc2c(Br)ccnc12",
    "ref_smiles": "N#Cc1cc(I)cc2c(Br)ccnc12",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "7c0882f9-3d94-4c9d-9268-76aba1529fdc",
    "task": "sub",
    "question": "Modify the molecule CCC1C(O)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)C(C)(C)C)C3(C)CCC2C2(C)CCC(O)CC12 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1C(O)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)C(C)(C)C)C3(C)CCC2C2(C)CCC(O)CC12",
    "ref_smiles": "CCC1C(C#N)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)C(C)(C)C)C3(C)CCC2C2(C)CCC(O)CC12",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9d542aed-39c6-4328-a4c7-aefd0034ce92",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)CC1CC1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)CC1CC1",
    "ref_smiles": "CC1(C(=O)Nc2ccc(C(=O)[OH])c(Cl)c2)CCN1C(=O)CC1CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "035f68a0-a460-40f8-a7cc-b7109973764c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1Cl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1Cl",
    "ref_smiles": "C[NH2+]Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)s2)cc1Cl",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "485f8a6a-b213-4aec-aaf5-39c9ea859c79",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)CC(C[NH3+])C(=O)Nc1cc(Cl)nc(Cl)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(C[NH3+])C(=O)Nc1cc(Cl)nc(Cl)n1",
    "ref_smiles": "CC(C)CC(C[NH3+])C(=O)Nc1cc([N+](=O)[O-])nc(Cl)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c99e3b66-9b3e-4cc8-89a0-430d90ac0c91",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1cccc(C)c1C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)N(CC#N)C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C)c1C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)N(CC#N)C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C",
    "ref_smiles": "CC(=O)CN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)c1c(C)cccc1C",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "f31e0a1f-c1fa-4da8-9e53-a189c82941bd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)C(C)NC(=O)c1cc(N)ncc1Cl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)C(C)NC(=O)c1cc(N)ncc1Cl",
    "ref_smiles": "CCC(C)C(C)NC(=O)c1cc(N)ncc1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "e4106a2b-85eb-42d1-acec-9f92984f0cbc",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccc(-c2cc(O)c3c(C)cc(=O)cc-3o2)cc1OC with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(-c2cc(O)c3c(C)cc(=O)cc-3o2)cc1OC",
    "ref_smiles": "COc1ccc(-c2cc(Br)c3c(C)cc(=O)cc-3o2)cc1OC",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f1938970-70bd-4670-9580-5726092a2a23",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]C1CCn2c(nc3c(Cl)cccc32)C1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]C1CCn2c(nc3c(Cl)cccc32)C1",
    "ref_smiles": "[NH3+]C1CCn2c(nc3c(C(=O)[OH])cccc32)C1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "014f6a09-1f13-47ca-b156-fdeed4f8791c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F",
    "ref_smiles": "N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(C=O)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "0694f3e2-2593-4d74-b659-d3e2621f54b2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)OC(=O)NCCCNc1nc(Cl)ncc1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)NCCCNc1nc(Cl)ncc1Cl",
    "ref_smiles": "CC(C)(C)OC(=O)NCCCNc1nc(NO2)ncc1Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "cf50e011-60f2-4c94-bcc4-e05c810738ee",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(C)(C#N)CCCSc1cc(F)ccc1F with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C#N)CCCSc1cc(F)ccc1F",
    "ref_smiles": "CC(C)(I)CCCSc1cc(F)ccc1F",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "d7c00cf4-0c05-4a94-9516-a31116102473",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCS(=O)(=O)Cc1ccc(Br)cc1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCS(=O)(=O)Cc1ccc(Br)cc1C",
    "ref_smiles": "CCS(=O)(=O)Cc1ccc(NO)cc1C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c0511ab4-2f50-4820-a3d2-fb594b627a5d",
    "task": "sub",
    "question": "Modify the molecule N#CC(=CNc1ncn[nH]1)C(=O)NCCCl by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC(=CNc1ncn[nH]1)C(=O)NCCCl",
    "ref_smiles": "N#CC(=CNc1ncn[nH]1)C(=O)NCCC(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "47f1dc07-cc3b-4917-bc62-03bd7a83d4db",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5c(F)cccc5F)ccc4C)CC3)ccc2Cl)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5c(F)cccc5F)ccc4C)CC3)ccc2Cl)cc1",
    "ref_smiles": "Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5c(F)cccc5C(=O)[OH])ccc4C)CC3)ccc2Cl)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "2833b051-0873-412a-bf52-0f35722f8973",
    "task": "sub",
    "question": "Please substitute a halo in the molecule [NH3+]CC(=O)NCC#Cc1cccc(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CC(=O)NCC#Cc1cccc(Cl)c1",
    "ref_smiles": "CC(=O)c1cccc(C#CCNC(=O)C[NH3+])c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ef42162c-19b3-41b7-a694-db0696e89a92",
    "task": "sub",
    "question": "Modify the molecule OCCCC[NH+](CC#Cc1ccc(Cl)cc1)C1CC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCCCC[NH+](CC#Cc1ccc(Cl)cc1)C1CC1",
    "ref_smiles": "N#Cc1ccc(C#CC[NH+](CCCCO)C2CC2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "50b9dc7d-cea7-4f02-b52f-dcf15b2fcd11",
    "task": "sub",
    "question": "Modify the molecule N#Cc1c(OC(F)(F)F)cnc(C(F)(F)F)c1[O-] by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1c(OC(F)(F)F)cnc(C(F)(F)F)c1[O-]",
    "ref_smiles": "N#Cc1c(OC(O)(F)F)cnc(C(F)(F)F)c1[O-]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "f1a763cb-16ee-46ad-9066-ffed3caeadc1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1",
    "ref_smiles": "C(=O)c1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "4c5f7554-7645-49e2-8fac-00100a63143d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)NCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)s1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)NCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)s1",
    "ref_smiles": "CC(=O)NCC(=O)Nc1nc(C)c(-c2cnc(C(=O)[OH])c(NS(=O)(=O)c3ccccc3)c2)s1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "5f8ecbdf-5e35-4725-b675-bf9b7c92e9e6",
    "task": "sub",
    "question": "Modify the molecule CSc1cc(O)cc2c(CBr)csc12 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSc1cc(O)cc2c(CBr)csc12",
    "ref_smiles": "CSc1cc(S)cc2c(CBr)csc12",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "456f15af-7b72-4cde-b8b4-65e43654c2b6",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)c1nc(C[NH+]2CCc3ccccc3C2CO)no1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1nc(C[NH+]2CCc3ccccc3C2CO)no1",
    "ref_smiles": "CC(C)c1nc(C[NH+]2CCc3ccccc3C2CC#N)no1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1768d6c7-3b89-4164-92f5-35177de63571",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1=CONC1(C)NS(=O)(=O)c1cccc2c(O)cccc12 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=CONC1(C)NS(=O)(=O)c1cccc2c(O)cccc12",
    "ref_smiles": "CC1=CONC1(C)NS(=O)(=O)c1cccc2c(C#N)cccc12",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3dd09dbb-a63c-4bab-93ad-09a3a044c9f8",
    "task": "sub",
    "question": "Modify the molecule CC(C)n1cc(N)cc1C(=O)NCC1CC(O)C1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)n1cc(N)cc1C(=O)NCC1CC(O)C1",
    "ref_smiles": "CC(C)n1cc(N)cc1C(=O)NCC1CC(S)C1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a648c3ed-d85c-48e3-b460-192f5daba194",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=NCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=NCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C",
    "ref_smiles": "CC(=NCCBr)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "63fd959a-448e-4da0-8cea-72636fcbbb89",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOc1ccc(C(=O)C(C)OC(=O)c2ccccc2O)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(C(=O)C(C)OC(=O)c2ccccc2O)cc1",
    "ref_smiles": "CCOc1ccc(C(=O)C(C)OC(=O)c2ccccc2NO)cc1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "048f078f-d1d9-4896-9693-1de8a7b98a95",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(Oc1ccc(C(C)(C)C)cc1)C1CCOC(c2c(F)cccc2F)=N1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(Oc1ccc(C(C)(C)C)cc1)C1CCOC(c2c(F)cccc2F)=N1",
    "ref_smiles": "CC(Oc1ccc(C(C)(C)C)cc1)C1CCOC(c2c(O)cccc2F)=N1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "2dc0417c-5c28-4413-997c-3509c06f8456",
    "task": "sub",
    "question": "Please substitute a halo in the molecule ClCc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "ClCc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl",
    "ref_smiles": "ONCc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "f9283215-dcf2-4a80-af32-673917edc603",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)[NH+]=c1ccccn1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)[NH+]=c1ccccn1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1",
    "ref_smiles": "CC(C)[NH+]=c1ccccn1C(=O)c1cccc(NC(=O)c2ccc(O)o2)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "29e8e657-843c-451f-9b64-ba123bd5402c",
    "task": "sub",
    "question": "Modify the molecule CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[O-])c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[O-])c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1",
    "ref_smiles": "CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[O-])c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(C=O)cc2)C1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "5fce7a5d-f16f-4433-82a0-1e53c04b59c4",
    "task": "sub",
    "question": "Modify the molecule O=C(C=C1CCCCC1)Cc1c(F)cccc1Cl by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(C=C1CCCCC1)Cc1c(F)cccc1Cl",
    "ref_smiles": "CC(=O)c1cccc(Cl)c1CC(=O)C=C1CCCCC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "94bcb909-26ea-4d73-b3a0-49fbd6de631c",
    "task": "sub",
    "question": "Modify the molecule CCC(SCc1cc2c(cc1Br)OCCO2)C(=O)Nc1cc(C)on1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(SCc1cc2c(cc1Br)OCCO2)C(=O)Nc1cc(C)on1",
    "ref_smiles": "CCC(SCc1cc2c(cc1C(=O)[OH])OCCO2)C(=O)Nc1cc(C)on1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "be600863-ee5f-4a58-8b14-963c9c4ad941",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC1(C)CCc2c(N3CCOCC3)[nH]c(=O)c(C#N)c2C1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CCc2c(N3CCOCC3)[nH]c(=O)c(C#N)c2C1",
    "ref_smiles": "CC1(C)CCc2c(N3CCOCC3)[nH]c(=O)c(O)c2C1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "18e3f8b1-82ff-4b22-88ae-ad21f2398091",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1",
    "ref_smiles": "COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(S)cc3s2)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "efddb34e-2dd1-4591-8508-032f235de368",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(CCBr)c1cc(Cl)cc(CCl)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCBr)c1cc(Cl)cc(CCl)c1",
    "ref_smiles": "O=C([OH])CCC(=O)c1cc(Cl)cc(CCl)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "04999bc6-082e-4018-927c-1f3e96037eaa",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(Cl)c(C(=O)NOCCOCc2cc(C(F)(F)F)c(C(=O)NOCCO)s2)s1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Cl)c(C(=O)NOCCOCc2cc(C(F)(F)F)c(C(=O)NOCCO)s2)s1",
    "ref_smiles": "Cc1cc(Cl)c(C(=O)NOCCOCc2cc(C(F)(F)F)c(C(=O)NOCCS)s2)s1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "447556db-8c07-4fab-bbe0-44b20a3cd90a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+](CCCc1ccc(CNC(=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2cc(F)ccc2[nH]1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](CCCc1ccc(CNC(=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2cc(F)ccc2[nH]1",
    "ref_smiles": "C[NH+](CCCc1ccc(CNC(=O)OC(C)(C)C)cc1)CCNC(=O)c1cc2cc(C#N)ccc2[nH]1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "4ea05f83-bc38-47c6-ba67-c9a25351cbe5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C#CC(O)C(Br)Oc1ccc(F)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CC(O)C(Br)Oc1ccc(F)cc1",
    "ref_smiles": "C#CC(O)C([N+](=O)[O-])Oc1ccc(F)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "ff44baf4-cbea-4d96-ba62-7e159716a0e1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CSC(N)=[NH+]c1cc(Cl)ccc1Oc1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSC(N)=[NH+]c1cc(Cl)ccc1Oc1ccccc1",
    "ref_smiles": "CSC(N)=[NH+]c1cc(S)ccc1Oc1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "06947ee1-e2f8-4a22-84fc-d05a94a212a2",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1",
    "ref_smiles": "Cc1ccc(C(=O)Nc2ccc(S)cc2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "ea5498ae-4b37-47ce-a0d7-6a7389f4d036",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C)c(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)c(C)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)c(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)c(C)c1",
    "ref_smiles": "Cc1cc(C)c(-n2nc(C)c(S(=O)(=O)C(=O)O)c2Cl)c(C)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c6533fc0-a023-4f35-82c9-9a28dd848c8e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1cccc(OCC2CC[NH+](CC3COCCOC3)CC2)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1cccc(OCC2CC[NH+](CC3COCCOC3)CC2)n1",
    "ref_smiles": "O=Cc1cccc(OCC2CC[NH+](CC3COCCOC3)CC2)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "00e3d0a9-cadf-425f-b8f4-d46ec478b014",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule [NH3+]CC(=O)c1cc2c(O)cccc2o1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]CC(=O)c1cc2c(O)cccc2o1",
    "ref_smiles": "[NH3+]CC(=O)c1cc2c(F)cccc2o1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3fa60320-e70e-4c7c-9b68-2fec39d571d2",
    "task": "sub",
    "question": "Modify the molecule CCc1ccc(C(=O)Cn2ccnc2C#N)s1 by substituting a nitrile with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(C(=O)Cn2ccnc2C#N)s1",
    "ref_smiles": "CCc1ccc(C(=O)Cn2ccnc2C(=O)[OH])s1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "f0ef9b99-87e2-490c-af72-7ef0cd4bde3c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)=CC(=O)N(C)CCC(C)O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)=CC(=O)N(C)CCC(C)O",
    "ref_smiles": "CC(C)=CC(=O)N(C)CCC(C)C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a52ac139-e7bb-4204-9423-92e8f12919b1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1CCC(C)N1S(=O)(=O)c1cc(N)c(F)cc1F with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1CCC(C)N1S(=O)(=O)c1cc(N)c(F)cc1F",
    "ref_smiles": "CC(=O)c1cc(F)c(S(=O)(=O)N2C(C)CCC2CC)cc1N",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a9ce637f-4c4b-451b-8de5-6d58591ccc58",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(C)c(Nc2cc(C3CC3)nc(NCCCO)n2)c(C)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)c(Nc2cc(C3CC3)nc(NCCCO)n2)c(C)c1",
    "ref_smiles": "CC(=O)CCCNc1nc(Nc2c(C)cc(C)cc2C)cc(C2CC2)n1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c40b4b4d-f504-47c1-87c1-8f809ff2bc9b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC[NH2+]C(c1ccc(Br)o1)c1cc(Br)c(Br)s1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH2+]C(c1ccc(Br)o1)c1cc(Br)c(Br)s1",
    "ref_smiles": "CCC[NH2+]C(c1ccc(O)o1)c1cc(Br)c(Br)s1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "c32d1e21-97fd-4637-b92d-23b1943473e2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)s2)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)s2)c1",
    "ref_smiles": "Cc1cc(C#N)cc(NS(=O)(=O)c2ccc(Br)s2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "4c62fcf7-99ec-4f36-b322-6002b7205421",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC12CCC3c4ccc(NS(=O)(=O)[O-])cc4CCC3(C=CCCCCCC[NH+]3CCOCC3)C1CCC2O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC12CCC3c4ccc(NS(=O)(=O)[O-])cc4CCC3(C=CCCCCCC[NH+]3CCOCC3)C1CCC2O",
    "ref_smiles": "CC12CCC3c4ccc(NS(=O)(=O)[O-])cc4CCC3(C=CCCCCCC[NH+]3CCOCC3)C1CCC2S",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0c863d0b-4684-4ea7-a8a7-291f25db6892",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)c1cc(F)c(Br)c(Br)c1F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1cc(F)c(Br)c(Br)c1F",
    "ref_smiles": "CC(=O)c1cc(NO)c(Br)c(Br)c1F",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7397e34a-ba91-4fd7-9fde-d1d6b9aec312",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C([O-])C(c1ccccc1)[NH+]1CCC(O)(P)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])C(c1ccccc1)[NH+]1CCC(O)(P)CC1",
    "ref_smiles": "ONC1(P)CC[NH+](C(C(=O)[O-])c2ccccc2)CC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e97c1f0f-b9e6-4fe3-a076-386f3fce9fb5",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(OCCCCCS(=O)(=O)Cl)c(Cl)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(OCCCCCS(=O)(=O)Cl)c(Cl)c1",
    "ref_smiles": "Cc1ccc(OCCCCCS(=O)(=O)C#N)c(Cl)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "8fdb194f-eef1-4282-afa1-816145cfe6ab",
    "task": "sub",
    "question": "Modify the molecule CCCCCCCC(O)Cc1ccc(CC)s1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCC(O)Cc1ccc(CC)s1",
    "ref_smiles": "CCCCCCCC(C#N)Cc1ccc(CC)s1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0ec1d2e3-65dc-4b73-8d06-e134ca566689",
    "task": "sub",
    "question": "Modify the molecule CCC(=O)Nc1ccc(C(C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 by substituting a nitro with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)Nc1ccc(C(C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1",
    "ref_smiles": "CCC(=O)Nc1ccc(C(C)NC(=O)c2ccccc2NS(=O)(=O)c2cccc(I)c2)cc1",
    "add_group": "halo",
    "remove_group": "nitro"
  },
  {
    "id": "1eff4c90-ac94-4b09-9f38-3269abd5fb67",
    "task": "sub",
    "question": "Modify the molecule O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccoc1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccoc1",
    "ref_smiles": "ONc1ccc(-c2cc(NC(=O)c3ccoc3)on2)o1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7c70b8a7-764b-4305-9248-bb81474d7c5b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1cc(OC2CC(C(=O)NC3(C(=O)[N-]S(=O)(=O)OC4(C)CC4)CC3CC)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2)c2cccc(Cl)c2n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1cc(OC2CC(C(=O)NC3(C(=O)[N-]S(=O)(=O)OC4(C)CC4)CC3CC)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2)c2cccc(Cl)c2n1",
    "ref_smiles": "CCOc1cc(OC2CC(C(=O)NC3(C(=O)[N-]S(=O)(=O)OC4(C)CC4)CC3CC)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2)c2cccc(NO)c2n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7dec5ba8-3164-4fe1-aad1-1c252d6b60c0",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccc(OCc2nc(C)c(C)s2)c(CO)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(OCc2nc(C)c(C)s2)c(CO)n1",
    "ref_smiles": "Cc1ccc(OCc2nc(C)c(C)s2)c(CNO)n1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4ee5444d-15c8-4d65-8a4d-a435a3580498",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#Cc1ccccc1OCC(=O)NCC(O)c1c(F)cccc1F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1ccccc1OCC(=O)NCC(O)c1c(F)cccc1F",
    "ref_smiles": "N#Cc1ccccc1OCC(=O)NCC(O)c1c(F)cccc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f9bc605a-11f0-4eed-9c41-1b48ba3c370b",
    "task": "sub",
    "question": "Modify the molecule COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCC2(CCOC2)C1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCC2(CCOC2)C1",
    "ref_smiles": "CC(=O)c1ccc(Nc2ncnc3cc(OC)c(OCCC[NH+]4CCC5(CCOC5)C4)cc23)cc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a558c7cb-629b-4e75-b7f4-c522cc7e6cca",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CCC(C(=O)[O-])C1CCC(O)C1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCC(C(=O)[O-])C1CCC(O)C1",
    "ref_smiles": "C=CCC(C(=O)[O-])C1CCC(S)C1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cec6452f-f438-4f61-9be2-b49c325a3253",
    "task": "sub",
    "question": "Modify the molecule O=S(=O)(NCCCOCCO)c1cccc(Cl)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=S(=O)(NCCCOCCO)c1cccc(Cl)c1",
    "ref_smiles": "O=S(=O)(NCCCOCCO)c1cccc([N+](=O)[O-])c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d33a95cc-e7fb-4995-9e54-21fdda269b3b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)n1ncc(Br)c1C(NN)c1cc(Cl)cc(Cl)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)n1ncc(Br)c1C(NN)c1cc(Cl)cc(Cl)c1",
    "ref_smiles": "CC(C)n1ncc(O)c1C(NN)c1cc(Cl)cc(Cl)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "b15ce586-b6a9-4b73-8988-b5628fd6b4ca",
    "task": "sub",
    "question": "Modify the molecule Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1cccc(Cl)c1C by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1cccc(Cl)c1C",
    "ref_smiles": "Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1cccc(C#N)c1C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "afb010da-4d1f-456f-966b-9af277f09b2a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CN(C)c1ccccc1N(C(=O)OC(C)(C)C)c1cc2c(cc1O)C13CCCCC1C(C2)N(C(=O)OCc1ccccc1)CC3 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)c1ccccc1N(C(=O)OC(C)(C)C)c1cc2c(cc1O)C13CCCCC1C(C2)N(C(=O)OCc1ccccc1)CC3",
    "ref_smiles": "CN(C)c1ccccc1N(C(=O)OC(C)(C)C)c1cc2c(cc1[N+](=O)[O-])C13CCCCC1C(C2)N(C(=O)OCc1ccccc1)CC3",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "76012e65-6287-43f5-aab7-139b5f999ba0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCC(=O)OCC(=O)Nc1ccc(I)cc1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC(=O)OCC(=O)Nc1ccc(I)cc1C",
    "ref_smiles": "CCCCC(=O)OCC(=O)Nc1ccc(NO)cc1C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1432fc96-8dbb-4710-bdaa-793f0a4f1f66",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cc(-c2nc(=O)n(-c3c(Cl)cccc3Cl)[nH]2)ccc1I with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(-c2nc(=O)n(-c3c(Cl)cccc3Cl)[nH]2)ccc1I",
    "ref_smiles": "COc1cc(-c2nc(=O)n(-c3c(Cl)cccc3CHO)[nH]2)ccc1I",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "52cee343-7cda-45f8-96ff-689f1449eceb",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cc(C)cc(C(O)c2cccc3ncccc23)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)cc(C(O)c2cccc3ncccc23)c1",
    "ref_smiles": "Cc1cc(C)cc(C(C(=O)O)c2cccc3ncccc23)c1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "dd35d2d9-9460-4a2a-97f4-d4de3a0bd088",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(CC(=O)NCC(O)c1ccncc1)Cc1ccc(Cl)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CC(=O)NCC(O)c1ccncc1)Cc1ccc(Cl)cc1",
    "ref_smiles": "CC(=O)C(CNC(=O)CC(C)Cc1ccc(Cl)cc1)c1ccncc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5ea1a4ee-961f-4e31-b17f-afed3f9f0a6f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1sc(Cl)cc1-c1ncn[nH]1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1sc(Cl)cc1-c1ncn[nH]1",
    "ref_smiles": "CC(=O)c1cc(-c2ncn[nH]2)c(N)s1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8f24f622-636e-4b55-baa3-9924ae5f7f6d",
    "task": "sub",
    "question": "Modify the molecule O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC(c2cccc(Cl)c2)C1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC(c2cccc(Cl)c2)C1",
    "ref_smiles": "O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC(c2cccc(O)c2)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "db438ab4-fb3c-46ee-9e8d-10668102ef24",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C1COc2c(C(=O)C(O)O)ccc(OCc3ccccc3)c2N1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1COc2c(C(=O)C(O)O)ccc(OCc3ccccc3)c2N1",
    "ref_smiles": "O=C1COc2c(C(=O)C(O)C(=O)[OH])ccc(OCc3ccccc3)c2N1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "38bfcc8f-cb5a-4011-a035-79e880c80e5a",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)NO)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)NO)c1",
    "ref_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)NS)c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9223c2f7-e38c-4ec7-9d60-6319e579280d",
    "task": "sub",
    "question": "Modify the molecule Cc1cc(C[NH3+])ccc1N(CCO)CC(F)(F)F by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C[NH3+])ccc1N(CCO)CC(F)(F)F",
    "ref_smiles": "Cc1cc(C[NH3+])ccc1N(CCC#N)CC(F)(F)F",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "6b8ece6a-0d4f-4bb9-8078-ab71f64b0ed2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccccc1O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccccc1O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1",
    "ref_smiles": "O=C(Nc1ccccc1O)C1CCCN1C(=O)c1cc(O)cc(Cl)c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "cd8558a0-bc0e-4ab5-8e1d-15e3a229a596",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CSCCCC[NH2+]Cc1ccc(I)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSCCCC[NH2+]Cc1ccc(I)cc1",
    "ref_smiles": "CSCCCC[NH2+]Cc1ccc(C=O)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c1d3b478-d222-472f-822d-321dbdf56591",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCS(=O)(=O)c1ccc(NCC(C)CCCl)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCS(=O)(=O)c1ccc(NCC(C)CCCl)cc1",
    "ref_smiles": "CCCS(=O)(=O)c1ccc(NCC(C)CCC#N)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3d63bfe9-2c94-426b-ada3-d051bfdc5c88",
    "task": "sub",
    "question": "Modify the molecule ClC(c1ccccc1)c1nnc(-c2cnns2)o1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "ClC(c1ccccc1)c1nnc(-c2cnns2)o1",
    "ref_smiles": "CC(=O)C(c1ccccc1)c1nnc(-c2cnns2)o1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "31c3df50-145a-4a3c-a653-d7175909df96",
    "task": "sub",
    "question": "Modify the molecule COC(=O)N1CCN(c2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)CC1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)N1CCN(c2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)CC1",
    "ref_smiles": "COC(=O)N1CCN(c2cnc3ccc(-c4cc(C)c(S)c(C)c4)cc3n2)CC1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b41d8223-1a19-45f4-a122-bd1d91a67769",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCc1cccc(C)c1NC(=O)c1ccc(Br)o1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cccc(C)c1NC(=O)c1ccc(Br)o1",
    "ref_smiles": "CCc1cccc(C)c1NC(=O)c1ccc(NO)o1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "0909572c-f266-4be2-b13c-054a29d77906",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#Cc1nc(CC(c2ccc(Oc3nc4cc(C(F)(F)F)ccc4s3)cc2)C(F)(F)F)[nH]c1C#N with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#Cc1nc(CC(c2ccc(Oc3nc4cc(C(F)(F)F)ccc4s3)cc2)C(F)(F)F)[nH]c1C#N",
    "ref_smiles": "N#Cc1nc(CC(c2ccc(Oc3nc4cc(C(F)(F)C(=O)O)ccc4s3)cc2)C(F)(F)F)[nH]c1C#N",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "396d0ba4-c09a-40e6-a9b2-21801faf9e21",
    "task": "sub",
    "question": "Modify the molecule Cc1nc(C(=O)N2CC[NH+](C)C(c3nc(C4CC4)no3)C2)ccc1C#N by substituting a nitrile with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc(C(=O)N2CC[NH+](C)C(c3nc(C4CC4)no3)C2)ccc1C#N",
    "ref_smiles": "Cc1nc(C(=O)N2CC[NH+](C)C(c3nc(C4CC4)no3)C2)ccc1O",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "ede2f275-3c76-4f81-afea-aa5e38205512",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(Cc2ccccc2)c1NC(=O)CCCCl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(Cc2ccccc2)c1NC(=O)CCCCl",
    "ref_smiles": "Cc1cccc(Cc2ccccc2)c1NC(=O)CCCC#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "4290e6e0-9e90-43fd-90c0-1ca8a4454816",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)C12CC3CC(C1)C(NC(=O)C1CN(S(=O)(=O)c4ccc(Br)cc4F)CCO1)C(C3)C2 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)C12CC3CC(C1)C(NC(=O)C1CN(S(=O)(=O)c4ccc(Br)cc4F)CCO1)C(C3)C2",
    "ref_smiles": "N#Cc1ccc(S(=O)(=O)N2CCOC(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)C2)c(F)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "88b5a70b-67b3-475c-b500-9685131eedb6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCNc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cn1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCNc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cn1",
    "ref_smiles": "CCCNc1ccc(C(=O)Nc2ccc(NO)c(C)c2)cn1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6b3e2c6a-5430-4f64-8fa1-be1746218748",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccccc1C([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2F)C1c1cccc(OC(C)C)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1C([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2F)C1c1cccc(OC(C)C)c1",
    "ref_smiles": "COc1ccc(CHO)cc1C([O-])=C1C(=O)C(=O)N(c2ccccc2)C1c1cccc(OC(C)C)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8372b5c5-fc8e-4676-8a91-9bf3c07d62e9",
    "task": "sub",
    "question": "Modify the molecule O=c1[nH]cc(Cl)nc1Sc1ccccc1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1[nH]cc(Cl)nc1Sc1ccccc1",
    "ref_smiles": "O=c1[nH]cc(S)nc1Sc1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "3b85bc49-7ccf-4a4e-acb1-c89fe2626ba7",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(F)cc1Oc1ccc(CC[NH3+])cc1Br with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(F)cc1Oc1ccc(CC[NH3+])cc1Br",
    "ref_smiles": "Cc1ccc(O)cc1Oc1ccc(CC[NH3+])cc1Br",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "908d264c-61e6-4867-9456-0ea6c6a362ce",
    "task": "sub",
    "question": "Modify the molecule OCC#Cc1cccc(CSc2ncco2)c1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCC#Cc1cccc(CSc2ncco2)c1",
    "ref_smiles": "N#CCC#Cc1cccc(CSc2ncco2)c1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "080e0356-369c-41fa-a4e4-67dd02bcf359",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule COc1cccc(OC)c1C(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(OC)c1C(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1",
    "ref_smiles": "COc1cccc(OC)c1C(=O)Nc1nc(-c2cc(SH)cs2)cs1",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "0dddf7e5-ace0-4dea-9197-90f2a5f81696",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CCc1c(C)sc(NC(=O)C(F)(F)C(F)F)c1C#N with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1c(C)sc(NC(=O)C(F)(F)C(F)F)c1C#N",
    "ref_smiles": "CCc1c(C)sc(NC(=O)C(F)(F)C(F)F)c1Cl",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "1b2758ec-7bd9-46bf-b83c-de2a2a45bc0d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nnc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)n1NC(=O)OC(C)c1ccccc1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nnc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)n1NC(=O)OC(C)c1ccccc1Cl",
    "ref_smiles": "Cc1nnc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)n1NC(=O)OC(C)c1ccccc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "01820b19-13ad-44fa-82ba-575ee1c7e872",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1onc(-c2ccc(Cl)o2)c1-c1cccc(Cl)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1onc(-c2ccc(Cl)o2)c1-c1cccc(Cl)c1",
    "ref_smiles": "Nc1onc(-c2ccc(S)o2)c1-c1cccc(Cl)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "1d663ecd-785c-4d76-8be4-75928711453e",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1cc(OC2OC(CO)C(O)C(O)C2O)ccc1C(=O)c1ccc(C#N)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(OC2OC(CO)C(O)C(O)C2O)ccc1C(=O)c1ccc(C#N)cc1",
    "ref_smiles": "Cc1cc(OC2OC(CO)C(O)C(O)C2O)ccc1C(=O)c1ccc(O)cc1",
    "add_group": "hydroxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "59c6198c-ceaf-452d-aa18-1af23aa5f470",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1c(C#N)cc(F)c(S(C)(=O)=O)c1OC with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(C#N)cc(F)c(S(C)(=O)=O)c1OC",
    "ref_smiles": "COc1c(C#N)cc([N+](=O)[O-])c(S(C)(=O)=O)c1OC",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1f68b91a-73ba-45ad-a672-7d3498400ba6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O",
    "ref_smiles": "CNC(=O)C(Cc1ccccc1)N(Cc1cccc(C(=O)[OH])c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "7f43498a-1a41-47e7-98bd-37f2102bdb95",
    "task": "sub",
    "question": "Modify the molecule COc1cc(CNc2cccc(Cl)c2Cl)ccc1C#N by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(CNc2cccc(Cl)c2Cl)ccc1C#N",
    "ref_smiles": "COc1cc(CNc2cccc(Cl)c2Cl)ccc1S",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "0dcdaba2-58bb-4946-8941-b68f887026f1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C",
    "ref_smiles": "CC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cf01ea83-ace4-4653-b394-545d3aedb2b2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(F)cc1NC(=O)NCCC[NH+](C)C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(F)cc1NC(=O)NCCC[NH+](C)C",
    "ref_smiles": "Cc1ccc(NO)cc1NC(=O)NCCC[NH+](C)C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5544466d-582c-4467-a86f-55534bee109b",
    "task": "sub",
    "question": "Modify the molecule [NH3+]Cc1cc(C(=O)[O-])nc(I)c1OC(F)(F)F by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "[NH3+]Cc1cc(C(=O)[O-])nc(I)c1OC(F)(F)F",
    "ref_smiles": "[NH3+]Cc1cc(C(=O)[O-])nc([N+](=O)[O-])c1OC(F)(F)F",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1bc29e05-5442-4077-9af1-c01b9a7522e8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc(C(F)(F)F)cc3)c2)c(OC)c1)C(=O)[O-] with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc(C(F)(F)F)cc3)c2)c(OC)c1)C(=O)[O-]",
    "ref_smiles": "CCOC(=Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc(C(F)(F)S)cc3)c2)c(OC)c1)C(=O)[O-]",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4a909cbf-3d86-4d34-8eb2-cb13c7b4bc65",
    "task": "sub",
    "question": "Modify the molecule Cn1nnc(Br)c1S(=O)(=O)Nc1nnc(C2CC2)o1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1nnc(Br)c1S(=O)(=O)Nc1nnc(C2CC2)o1",
    "ref_smiles": "Cn1nnc(S)c1S(=O)(=O)Nc1nnc(C2CC2)o1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "ebf821f1-3be0-4900-a794-65a1cb3338ff",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=O)C1CCCCN1C(=O)c1cccc(Br)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=O)C1CCCCN1C(=O)c1cccc(Br)n1",
    "ref_smiles": "NC(=O)C1CCCCN1C(=O)c1cccc(C(=O)[OH])n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "19c7f7f8-842f-48c1-9630-223945b44c0a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCCCCCCCc1cnc(-c2ccc(C(C)(C(=O)[O-])C(Cl)CC)cc2)nc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCCCCc1cnc(-c2ccc(C(C)(C(=O)[O-])C(Cl)CC)cc2)nc1",
    "ref_smiles": "CCCCCCCCCCc1cnc(-c2ccc(C(C)(C(=O)[O-])C(O)CC)cc2)nc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "acf889f5-abb6-45b4-8b56-605a5950f513",
    "task": "sub",
    "question": "Modify the molecule N#CC(CN1CCCC(CCO)C1)c1ccccc1 by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CC(CN1CCCC(CCO)C1)c1ccccc1",
    "ref_smiles": "N#CC(CN1CCCC(CCS)C1)c1ccccc1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "65dea3c1-dcd8-4d67-9e00-477f50ab651c",
    "task": "sub",
    "question": "Modify the molecule COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1",
    "ref_smiles": "COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2NO2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "8dee7cf5-0b8b-4f33-bc38-97d1a358b64e",
    "task": "sub",
    "question": "Modify the molecule COc1cc(C)c2c(c1)c(C(=O)CC#N)cn2C(C)C(N)=O by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cc(C)c2c(c1)c(C(=O)CC#N)cn2C(C)C(N)=O",
    "ref_smiles": "COc1cc(C)c2c(c1)c(C(=O)CHO)cn2C(C)C(N)=O",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "6f880d3c-c7ad-4f50-8d01-f75c9e0f0249",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)CN(CCCO)C(=O)c1cc(C(C)(C)C)[nH]n1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)CN(CCCO)C(=O)c1cc(C(C)(C)C)[nH]n1",
    "ref_smiles": "CC(C)(C)CN(CCCNO)C(=O)c1cc(C(C)(C)C)[nH]n1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0be397e9-a190-4af2-a6fa-e3afcf3b5d5b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1C1CCCCC1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1C1CCCCC1",
    "ref_smiles": "O=C1C(=Cc2cccc(OCc3ccc(O)cc3)c2)SC(=S)N1C1CCCCC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "37a5b285-886d-44d5-ac52-1d5aa494ff57",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C(C(=O)[O-])C1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C(C(=O)[O-])C1",
    "ref_smiles": "CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(C(=O)[OH])cc3)cs2)C(C(=O)[O-])C1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "b9a7cdfb-e7ec-4ff5-8677-c9b46de1dde9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Nc1ccccc1C(=O)N1CCCC(c2cc(CC(F)(F)F)no2)C1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1ccccc1C(=O)N1CCCC(c2cc(CC(F)(F)F)no2)C1",
    "ref_smiles": "Nc1ccccc1C(=O)N1CCCC(c2cc(CC(O)(F)F)no2)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "75926e48-83a6-45cc-bd91-f032ea8c8014",
    "task": "sub",
    "question": "Modify the molecule CC([NH2+]C(CCO)C1CC1)c1cncc(F)c1 by substituting a hydroxyl with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC([NH2+]C(CCO)C1CC1)c1cncc(F)c1",
    "ref_smiles": "CC([NH2+]C(CCNO)C1CC1)c1cncc(F)c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a1ea1e57-149b-4c19-b1ef-523c81534905",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1cc(C[NH2+]C2(CCl)CC2)nn1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1cc(C[NH2+]C2(CCl)CC2)nn1",
    "ref_smiles": "Cn1cc(C[NH2+]C2(CNO)CC2)nn1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7bb79d44-f58a-429f-afc9-26265ef4b3df",
    "task": "sub",
    "question": "Modify the molecule N#CCC(=O)NCCNC(=O)c1ccccc1Br by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCC(=O)NCCNC(=O)c1ccccc1Br",
    "ref_smiles": "ONCC(=O)NCCNC(=O)c1ccccc1Br",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "2ddc07ff-1dab-4f93-8aef-dd811c882d89",
    "task": "sub",
    "question": "Modify the molecule C[NH+](CCCNC(=O)C(F)(F)F)CC1CCCCC1O by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+](CCCNC(=O)C(F)(F)F)CC1CCCCC1O",
    "ref_smiles": "C[NH+](CCCNC(=O)C(F)(F)C#N)CC1CCCCC1O",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e9324f9d-366d-4068-b8f6-0d4d190fd698",
    "task": "sub",
    "question": "Modify the molecule CC(C)CC(C)N(C)C(=O)Cl by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CC(C)N(C)C(=O)Cl",
    "ref_smiles": "CC(C)CC(C)N(C)C(=O)NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e775d0cb-abd6-447d-9a83-a0b0276abea6",
    "task": "sub",
    "question": "Modify the molecule C#CC=CC=CCN(c1c(-c2c(F)c(F)c(F)c(F)c2F)cccc1C(F)(F)F)C1C=CC=C1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CC=CC=CCN(c1c(-c2c(F)c(F)c(F)c(F)c2F)cccc1C(F)(F)F)C1C=CC=C1",
    "ref_smiles": "C#CC=CC=CCN(c1c(-c2c(O)c(F)c(F)c(F)c2F)cccc1C(F)(F)F)C1C=CC=C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "8aecaa84-4802-4291-8ea6-076e12b109dc",
    "task": "sub",
    "question": "Modify the molecule CC(C)[NH2+]C(CO)(CSc1ncccc1Br)C1CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)[NH2+]C(CO)(CSc1ncccc1Br)C1CC1",
    "ref_smiles": "CC(C)[NH2+]C(CSc1ncccc1Br)(CC(=O)O)C1CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7a25ca72-eca8-4e81-9997-fc6792d0a24f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c2ccccc2)CC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c2ccccc2)CC1",
    "ref_smiles": "CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(c3cc(-c4ccc(C#N)cc4)n[nH]3)CC2)c2ccccc2)CC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "0d1299b0-e1e0-49f2-8f84-35533f4cfb8a",
    "task": "sub",
    "question": "Modify the molecule CCCc1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CCC)cs1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CCC)cs1",
    "ref_smiles": "CCCc1cc(-c2nnc(SCC(=O)Nc3cc(S)ccc3C)n2CCC)cs1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "57bd9d0e-4fcc-4128-b165-8e5b781b6688",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCC(=Cc1cc(Br)ccc1O)CCC1OCC2C1=C(CCC)CC1C(=O)N(C)C(=O)C12 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(=Cc1cc(Br)ccc1O)CCC1OCC2C1=C(CCC)CC1C(=O)N(C)C(=O)C12",
    "ref_smiles": "CC(=O)c1ccc(O)c(C=C(CCC)CCC2OCC3C2=C(CCC)CC2C(=O)N(C)C(=O)C23)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c454bcd5-21db-4729-b6c3-9cde2d79404b",
    "task": "sub",
    "question": "Modify the molecule C[NH+]1CCC(CC[NH2+]CC2Cc3cc(Cl)ccc3O2)CC1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]1CCC(CC[NH2+]CC2Cc3cc(Cl)ccc3O2)CC1",
    "ref_smiles": "C[NH+]1CCC(CC[NH2+]CC2Cc3cc([N+](=O)[O-])ccc3O2)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "41ae76e6-aba5-434b-b0cb-d3dd0cff7c29",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C([O-])c1c(CC2CC2)c2c(n1O)CC[NH2+]C2 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1c(CC2CC2)c2c(n1O)CC[NH2+]C2",
    "ref_smiles": "O=C([O-])c1c(CC2CC2)c2c(n1C(=O)[OH])CC[NH2+]C2",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ca443fc9-a15d-472d-ba40-adf5450c530f",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)s1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)s1",
    "ref_smiles": "CC[NH+](CC)CCC[NH2+]Cc1ccc([N+](=O)[O-])s1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "07befa0a-8208-4c7a-89e2-3d7f20e47018",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)n1c(CN2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)cc2ncccc21 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)n1c(CN2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)cc2ncccc21",
    "ref_smiles": "CCOC(=O)n1c(CN2CCC(NS(=O)(=O)c3cc4ccc(C#N)cc4s3)C2=O)cc2ncccc21",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "7c551c32-ac9a-42e1-9dce-606edebbd114",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(Br)c1ccc2ccc(C(Cl)(Cl)Br)cc2c1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(Br)c1ccc2ccc(C(Cl)(Cl)Br)cc2c1",
    "ref_smiles": "OC(F)(Br)c1ccc2ccc(C(Cl)(Cl)Br)cc2c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "6ea8427a-3ebd-40ae-b9d6-302dfe9f0e27",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCc1ccc(C(O)C(C)[NH+]2CCCC(C)C2)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(C(O)C(C)[NH+]2CCCC(C)C2)cc1",
    "ref_smiles": "CCc1ccc(C(C#N)C(C)[NH+]2CCCC(C)C2)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "653a6eb6-36c3-4b38-9549-d35034671372",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1c(Cl)cc(Cl)cc1C([O-])=C1C(=O)C(=O)N(c2ccc(Cl)cc2)C1c1cccc(O)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(Cl)cc(Cl)cc1C([O-])=C1C(=O)C(=O)N(c2ccc(Cl)cc2)C1c1cccc(O)c1",
    "ref_smiles": "CC(=O)c1cccc(C2C(=C([O-])c3cc(Cl)cc(Cl)c3OC)C(=O)C(=O)N2c2ccc(Cl)cc2)c1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e3fd88b0-55a2-4c3d-93bc-aa0fc0053d6c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1(C)CCCN1c1cc(F)c(Cl)cc1N with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CCCN1c1cc(F)c(Cl)cc1N",
    "ref_smiles": "CC1(C)CCCN1c1cc(C(=O)[OH])c(Cl)cc1N",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "883e8866-c259-40f2-b72a-92b5e68b7e5d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1cccc(NC(=O)c2c(Cl)c(C)nn2C)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(NC(=O)c2c(Cl)c(C)nn2C)c1",
    "ref_smiles": "CC(=O)c1c(C)nn(C)c1C(=O)Nc1cccc(OC)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a7930609-2362-485e-9782-66a596510ca5",
    "task": "sub",
    "question": "Modify the molecule CC(On1ccc2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(On1ccc2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl",
    "ref_smiles": "CC(On1ccc2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(C(=O)O)ccc(F)c1Cl",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "4ca20077-21a0-4d4a-9020-2ab877d5c50f",
    "task": "sub",
    "question": "Modify the molecule CC(C)(C)OC(=O)N1C(CNc2cccc(-c3csc(SCC(=O)NC4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)n3)c2)COC1(C)C by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)N1C(CNc2cccc(-c3csc(SCC(=O)NC4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)n3)c2)COC1(C)C",
    "ref_smiles": "CC(C)(C)OC(=O)N1C(CNc2cccc(-c3csc(SCC(=O)NC4CC[NH+](Cc5ccc(O)c(Cl)c5)CC4)n3)c2)COC1(C)C",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "3a7fbdfb-5c6b-4ce5-844d-00bcbc8c9cda",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC([NH3+])C(Sc1nnc(SC)s1)c1ccc(Cl)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC([NH3+])C(Sc1nnc(SC)s1)c1ccc(Cl)cc1",
    "ref_smiles": "CC(=O)c1ccc(C(Sc2nnc(SC)s2)C([NH3+])CC)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "9527e569-5dda-4cab-af26-c041b0167d9a",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC=CCCNc1c(C)cccc1C#N with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC=CCCNc1c(C)cccc1C#N",
    "ref_smiles": "CC=CCCNc1c(C)cccc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "15edef37-cc25-4478-b718-bdfe3b77dd55",
    "task": "sub",
    "question": "Modify the molecule CC(C)c1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1",
    "ref_smiles": "CC(C)c1ccc(Oc2ncnc(Nc3cccnc3C(=O)O)c2N)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "92e57d92-ee63-4a02-9b72-5c5b4dc7877a",
    "task": "sub",
    "question": "Modify the molecule OC1C=C(CCSC(F)(F)F)CC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC1C=C(CCSC(F)(F)F)CC1",
    "ref_smiles": "O=C(O)C(F)(F)SCCC1=CC(O)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "390c1382-7df5-4580-8094-cb7d22d55866",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3C)CC2)ccc1NC(=O)c1cccc(F)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3C)CC2)ccc1NC(=O)c1cccc(F)c1",
    "ref_smiles": "Cc1cc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(NO)cc4)cc3C)CC2)ccc1NC(=O)c1cccc(F)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "c19dcd5d-c731-452b-9891-7349188635fe",
    "task": "sub",
    "question": "Modify the molecule COc1c(F)cccc1CCC(C)[NH3+] by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1c(F)cccc1CCC(C)[NH3+]",
    "ref_smiles": "COc1c(C(=O)O)cccc1CCC(C)[NH3+]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "5ed20b46-1bc8-47db-bd92-2876e60c698c",
    "task": "sub",
    "question": "Modify the molecule CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(F)cc3F)sc2c1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(F)cc3F)sc2c1",
    "ref_smiles": "CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3F)sc2c1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "15c31de6-302b-439c-8bad-9b61ab7c3325",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(CO)Nc1nc2ccc(N)cc2[nH]1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CO)Nc1nc2ccc(N)cc2[nH]1",
    "ref_smiles": "CC(CF)Nc1nc2ccc(N)cc2[nH]1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "813311f5-beae-4394-a7bd-6093912ff862",
    "task": "sub",
    "question": "Modify the molecule CC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1C#N by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1C#N",
    "ref_smiles": "CC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1[N+](=O)[O-]",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "8c8b8983-2d66-442e-9142-e94bf537e3d9",
    "task": "sub",
    "question": "Modify the molecule CCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl",
    "ref_smiles": "CCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)Nc1ccc(C#N)cc1Cl",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fe70b838-f442-49d3-bc59-a51ff7b5b4ce",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=C(COCc1ccccc1)Cc1cccc(O)c1O with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(COCc1ccccc1)Cc1cccc(O)c1O",
    "ref_smiles": "C=C(COCc1ccccc1)Cc1cccc(Cl)c1O",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "05e31d36-f20b-4b60-a3df-8d3288e42afd",
    "task": "sub",
    "question": "Modify the molecule CC1OCC(O)(CO)CC1NC(=O)OC(C)(C)C by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1OCC(O)(CO)CC1NC(=O)OC(C)(C)C",
    "ref_smiles": "CC(=O)C1(CO)COC(C)C(NC(=O)OC(C)(C)C)C1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4fa1916f-d54c-47bb-9d93-7aba3875227e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)NC(=O)c1ccc(C)c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3c(C)cccc3C(=O)Nc3cc(F)ccc3F)CC2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)NC(=O)c1ccc(C)c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3c(C)cccc3C(=O)Nc3cc(F)ccc3F)CC2)c1",
    "ref_smiles": "CCC(C)NC(=O)c1ccc(C)c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3c(C)cccc3C(=O)Nc3cc(NO)ccc3F)CC2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "dc60e855-3cf5-4a19-9cbb-f1521f287a04",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C[NH2+]C1C2CCC(CO)(O2)C(O)C1O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]C1C2CCC(CO)(O2)C(O)C1O",
    "ref_smiles": "C[NH2+]C1C2CCC(CC(=O)[OH])(O2)C(O)C1O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f8291d9e-6e30-464c-90e5-5144bcb3b2d9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CCc1cc(C=C2C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OC with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCc1cc(C=C2C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OC",
    "ref_smiles": "C=CCc1cc(C=C2C(=O)NC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc(OC)c1OC",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "9af5527d-9cf0-458e-8ea8-347d874cbcc7",
    "task": "sub",
    "question": "Modify the molecule CCn1c(Cl)nc2cc3c(cc2c1=O)OCCCO3 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1c(Cl)nc2cc3c(cc2c1=O)OCCCO3",
    "ref_smiles": "CC(=O)c1nc2cc3c(cc2c(=O)n1CC)OCCCO3",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "a04e3722-a9f2-43ea-ab50-62db239f97b0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nc2ccc(Br)cn2c1N=Nc1ccccc1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nc2ccc(Br)cn2c1N=Nc1ccccc1O",
    "ref_smiles": "CC(=O)c1ccc2nc(C)c(N=Nc3ccccc3O)n2c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ba673698-7ca6-4509-9ab2-f5f334050d79",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=[N+]([O-])CCc1ccc(O)c(O)c1O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=[N+]([O-])CCc1ccc(O)c(O)c1O",
    "ref_smiles": "N#Cc1ccc(CC[N+](=O)[O-])c(O)c1O",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "414c1ec4-cc50-4541-86c5-ec33610455ea",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccnc(NCCOCCCl)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccnc(NCCOCCCl)n1",
    "ref_smiles": "CC(=O)CCOCCNc1nccc(OC)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c69cc696-c7bd-45a1-b305-e51dfb657125",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=CC(=O)OCCC(=O)OCCC(=O)OC(C)(C)CBr with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(=O)OCCC(=O)OCCC(=O)OC(C)(C)CBr",
    "ref_smiles": "C=CC(=O)OCCC(=O)OCCC(=O)OC(C)(C)CC(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "801f3c15-cec2-4f9f-972f-37f40588970a",
    "task": "sub",
    "question": "Modify the molecule COc1ccc(C2C(c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4C3C2(C#N)C(N)=O)cc1 by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C2C(c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4C3C2(C#N)C(N)=O)cc1",
    "ref_smiles": "CC(=O)C1(C(N)=O)C(c2ccc(OC)cc2)C(c2ccc([N+](=O)[O-])cc2)N2C=Cc3ccccc3C21",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "e1cd9330-188e-417b-bdea-3b892304dc0d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(CCS(C)(=O)=O)Cc1cc(N)ccc1Br with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(CCS(C)(=O)=O)Cc1cc(N)ccc1Br",
    "ref_smiles": "CN(CCS(C)(=O)=O)Cc1cc(N)ccc1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "68e7e6dd-0cdb-4c9d-a4c4-1e33882d784c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCN(C(=O)Nc1ccccc1F)C1CCC[NH2+]C1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(C(=O)Nc1ccccc1F)C1CCC[NH2+]C1",
    "ref_smiles": "CCCN(C(=O)Nc1ccccc1C(=O)O)C1CCC[NH2+]C1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "19ff0518-cb5b-48e8-bd46-3392a0981d4d",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(Cl)nc(N(C)C2CC[NH2+]CC2)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Cl)nc(N(C)C2CC[NH2+]CC2)n1",
    "ref_smiles": "CC(=O)c1cc(C)nc(N(C)C2CC[NH2+]CC2)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "e8b25789-3ae6-49bf-83c9-12b856117202",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1ccc(C(C)[NH2+]CC2CCCC(O)C2)cc1[N+](=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C(C)[NH2+]CC2CCCC(O)C2)cc1[N+](=O)[O-]",
    "ref_smiles": "Cc1ccc(C(C)[NH2+]CC2CCCC(C(=O)O)C2)cc1[N+](=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b1979c47-c53d-4deb-8d94-6ab6e4eb6e72",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1c(Cl)cc2ccsc2c1[S-] with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1c(Cl)cc2ccsc2c1[S-]",
    "ref_smiles": "CC(=O)c1cc2ccsc2c([S-])c1OCC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "ca53ddc7-14ec-4437-93d3-eee1caf14db2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN1CC[NH+](C2=C(c3ccc(Cl)cc3)C(=O)N(C3CCCCC3)C2=O)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN1CC[NH+](C2=C(c3ccc(Cl)cc3)C(=O)N(C3CCCCC3)C2=O)CC1",
    "ref_smiles": "CN1CC[NH+](C2=C(c3ccc(C=O)cc3)C(=O)N(C3CCCCC3)C2=O)CC1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f5a7926a-dcfc-4f23-b053-3d9a24856de9",
    "task": "sub",
    "question": "Modify the molecule CC(OC(=O)c1ccccc1Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(OC(=O)c1ccccc1Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1",
    "ref_smiles": "O=CC(OC(=O)c1ccccc1Nc2ccccc2)C(=O)Nc3cccccc3",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "9f2be5c4-0446-4a22-bc93-2db8d471ee53",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1I",
    "ref_smiles": "N#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3a020685-831a-4d2f-b426-0a7afa1f88d9",
    "task": "sub",
    "question": "Modify the molecule CC(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1",
    "ref_smiles": "CC(=O)c1ccc(-c2cc(O)cnc2-c2ccc(C)nc2)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "3710ccf4-f143-4091-9902-81bc60e47539",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1CC(C)C(C[NH+](CC2CC2)C(C)C)C(O)C1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CC(C)C(C[NH+](CC2CC2)C(C)C)C(O)C1",
    "ref_smiles": "CC1CC(C)C(C[NH+](CC2CC2)C(C)C)C(Br)C1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e5ac0573-22b5-45f3-987c-bfd205acf976",
    "task": "sub",
    "question": "Modify the molecule NC(=[NH+]O)C(CNCC(F)(F)F)c1ccccc1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=[NH+]O)C(CNCC(F)(F)F)c1ccccc1",
    "ref_smiles": "CC(=O)[NH+]=C(N)C(CNCC(F)(F)F)c1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "9b633b71-b1ec-43fd-9431-0caa69f14cea",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1O",
    "ref_smiles": "CC(=O)c1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OC",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "5e20fbea-16b9-4367-a898-1f69808224b2",
    "task": "sub",
    "question": "Modify the molecule CCOC(=O)C1CCCN(C(=O)C(C#N)=C2C=CC(=O)C=C2)C1 by substituting a nitrile with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)C1CCCN(C(=O)C(C#N)=C2C=CC(=O)C=C2)C1",
    "ref_smiles": "CCOC(=O)C1CCCN(C(=O)C(S)=C2C=CC(=O)C=C2)C1",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "7dcf413d-fa19-4fd1-93f4-d59be248159f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(C)C with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(C)C",
    "ref_smiles": "CCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C(C)C",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "14c328d5-7c68-4cc7-92ab-7e20065a7433",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccn2c(NC(=O)Nc3ccc(Cl)cc3)c(-c3cccc(F)c3)nc2c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccn2c(NC(=O)Nc3ccc(Cl)cc3)c(-c3cccc(F)c3)nc2c1",
    "ref_smiles": "Cc1ccn2c(NC(=O)Nc3ccc(NO)cc3)c(-c3cccc(F)c3)nc2c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1c8ac71e-38ad-490c-bdbf-2514bfcec7d3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC[NH2+]C(C)c1ccnc(N(CC)CCO)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH2+]C(C)c1ccnc(N(CC)CCO)c1",
    "ref_smiles": "CC[NH2+]C(C)c1ccnc(N(CC)CCS)c1",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "72666393-6c8d-450b-8f29-c9a0cbcebb94",
    "task": "sub",
    "question": "Please substitute a halo in the molecule FC(F)(F)c1cc(CCl)cc(-c2ccccc2C(F)(F)F)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "FC(F)(F)c1cc(CCl)cc(-c2ccccc2C(F)(F)F)c1",
    "ref_smiles": "FC(F)(F)c1cc(C=O)cc(-c2ccccc2C(F)(F)F)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8c877060-51ff-4adf-9b99-e81d461ad1d5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Oc1cccc(Cl)c1C[NH+]1CC(N2CC[NH2+]CC2)C1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Oc1cccc(Cl)c1C[NH+]1CC(N2CC[NH2+]CC2)C1",
    "ref_smiles": "N#Cc1cccc(O)c1C[NH+]1CC(N2CC[NH2+]CC2)C1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "d53278d0-916e-4775-aa32-6d2d2eb20fe7",
    "task": "sub",
    "question": "Modify the molecule Cc1oc(C=Cc2ccc(Cl)cc2)nc1CCl by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1oc(C=Cc2ccc(Cl)cc2)nc1CCl",
    "ref_smiles": "Cc1oc(C=Cc2ccc([N+](=O)[O-])cc2)nc1CCl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "6e4327a1-9584-4600-8a0b-4ad10bc5ebe4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1cc(Br)c2sc(N)cc2c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1cc(Br)c2sc(N)cc2c1",
    "ref_smiles": "CCOC(=O)c1cc(C#N)c2sc(N)cc2c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "70f00e7b-7594-48d9-a433-cd0c26f3bdad",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)C(C)C)CC2)cccc1C(=O)Nc1cc(F)ccc1F with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)C(C)C)CC2)cccc1C(=O)Nc1cc(F)ccc1F",
    "ref_smiles": "Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)[OH])cc3C(=O)N3CCCC3)C(C)C)CC2)cccc1C(=O)Nc1cc(F)ccc1F",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "55e336c0-eb82-48f8-be71-5e49403f636e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(Br)sc1C with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(Br)sc1C",
    "ref_smiles": "Cc1cc(S)cc(C)c1NS(=O)(=O)c1cc(Br)sc1C",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "711125e0-6cac-4899-8947-3e9fb9ff33f7",
    "task": "sub",
    "question": "Modify the molecule CC(C)c1ccc(NC(=O)CSc2nnc(C(NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1ccc(NC(=O)CSc2nnc(C(NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1",
    "ref_smiles": "CC(C)c1ccc(NC(=O)CSc2nnc(C(NC(=O)c3ccccc3C#N)C(C)C)n2C)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "0f591bd3-4c4b-4f1b-8811-610126759f23",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)CCC[NH+](C)CCCn1nc(I)c2c(N)ncnc21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)CCC[NH+](C)CCCn1nc(I)c2c(N)ncnc21",
    "ref_smiles": "CCOC(=O)CCC[NH+](C)CCCn1nc(C=O)c2c(N)ncnc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "f57075eb-f9f0-4248-8c72-b6e99f4e8c0f",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C=c1c2c(C)ccc(Cl)c2c(=C)n1CC1=[NH+]CCC=N1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=c1c2c(C)ccc(Cl)c2c(=C)n1CC1=[NH+]CCC=N1",
    "ref_smiles": "C=c1c2c(C)ccc(S)c2c(=C)n1CC1=[NH+]CCC=N1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "6f10d401-4b46-45ec-b618-030f95db6c7a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Fc1ccc(NC(=S)N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(F)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(NC(=S)N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(F)c1",
    "ref_smiles": "O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(F)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "bb8a1578-7055-4fc7-a715-ebbb1336b482",
    "task": "sub",
    "question": "Modify the molecule CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(F)cc3C)C(C)C)CC2)c1C by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(F)cc3C)C(C)C)CC2)c1C",
    "ref_smiles": "CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)[OH])cc3C)C(C)C)CC2)c1C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "fc527202-8e84-4aab-83c3-97211061ccf3",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C)n(CCNC(=O)c2cc3ccc(Cl)cc3n2C)n1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)n(CCNC(=O)c2cc3ccc(Cl)cc3n2C)n1",
    "ref_smiles": "Cc1cc(C)n(CCNC(=O)c2cc3ccc([N+](=O)[O-])cc3n2C)n1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "e05d7ba9-661f-4ed4-9591-39496c3a9d0f",
    "task": "sub",
    "question": "Modify the molecule CSc1ccc(Cl)c(C(=O)NC(C[NH3+])C(C)(C)C)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSc1ccc(Cl)c(C(=O)NC(C[NH3+])C(C)(C)C)c1",
    "ref_smiles": "CSc1ccc([N+](=O)[O-])c(C(=O)NC(C[NH3+])C(C)(C)C)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "7fa27854-c9b5-41b5-b05f-d9ac2d142935",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule C#CCOc1c(CC=C)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCOc1c(CC=C)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC",
    "ref_smiles": "C#CCOc1c(CC=C)cc(C=C(C(=O)O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "a9344c76-0867-4b2d-9637-fb9581342f8b",
    "task": "sub",
    "question": "Modify the molecule CC=C(OCC)c1noc(C)c1C(=O)c1cccc(Br)c1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC=C(OCC)c1noc(C)c1C(=O)c1cccc(Br)c1",
    "ref_smiles": "CC=C(OCC)c1noc(C)c1C(=O)c1cccc(NO)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "b027e7f4-6c6f-4f26-8387-f911e209db9b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule BCC1CCC(OC(=O)c2ccc(-c3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)OC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "BCC1CCC(OC(=O)c2ccc(-c3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)OC1",
    "ref_smiles": "BCC1CCC(OC(=O)c2ccc(-c3ccc(-c4ccc(C5CO5)c(C#N)c4F)cc3)c(F)c2F)OC1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "a92a91c6-873e-43fb-9f5f-f3fb78385618",
    "task": "sub",
    "question": "Modify the molecule O=C(NC(=O)c1ccccc1)Nc1ccc(Br)cc1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NC(=O)c1ccccc1)Nc1ccc(Br)cc1",
    "ref_smiles": "O=C(NC(=O)c1ccccc1)Nc1ccc(O)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1b931152-579c-4848-b916-76fbdcc6be69",
    "task": "sub",
    "question": "Modify the molecule CCc1cc(SC)cc2scc(F)c12 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cc(SC)cc2scc(F)c12",
    "ref_smiles": "C(=O)Hc1cc(SC)cc2sccc12",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "3fd91bb6-a431-4387-a71e-47f7cc792517",
    "task": "sub",
    "question": "Modify the molecule OCc1ccccc1-c1coc(CSc2ncnc3sccc23)c1 by substituting a hydroxyl with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OCc1ccccc1-c1coc(CSc2ncnc3sccc23)c1",
    "ref_smiles": "O=Cc1ccccc1-c1coc(CSc2ncnc3sccc23)c1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "3c42857f-8365-428c-9418-0ad47b4dfcb1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)COc1ccc(C2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2F)cc1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)COc1ccc(C2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2F)cc1",
    "ref_smiles": "CC(C)COc1ccc(C2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)c(F)c2F)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "3baf0461-ff56-4ecb-a507-87ce77bbc14d",
    "task": "sub",
    "question": "Modify the molecule C[N+](C)(Cc1ccc(NC(=O)C2=Cc3c(Cl)cc(Cl)cc3OC2)cc1)C1CCOCC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[N+](C)(Cc1ccc(NC(=O)C2=Cc3c(Cl)cc(Cl)cc3OC2)cc1)C1CCOCC1",
    "ref_smiles": "C[N+](C)(Cc1ccc(NC(=O)C2=Cc3c(cc(Cl)cc3C(=O)O)OC2)cc1)C1CCOCC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "57e4c552-dbb4-4258-8e32-41273abd5297",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(F)c(CC(=O)N2CCOC(c3ccccc3)C2)c1F by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(F)c(CC(=O)N2CCOC(c3ccccc3)C2)c1F",
    "ref_smiles": "Cc1ccc(CHO)c(CC(=O)N2CCOC(c3ccccc3)C2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "31dbef1f-008f-47d9-bde0-5a47f1cec78b",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCC(O)C(O)C=CC(=O)[O-] with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCC(O)C(O)C=CC(=O)[O-]",
    "ref_smiles": "CCCCC(C(=O)O)C(O)C=CC(=O)[O-]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "4abb4946-6bc0-4fd3-b597-315d4f7a4cf1",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1(C)CN(C(=O)c2ccc3c(c2)CCC3)CC1O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1(C)CN(C(=O)c2ccc3c(c2)CCC3)CC1O",
    "ref_smiles": "CC1(C)CN(C(=O)c2ccc3c(c2)CCC3)CC1C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "de1956ce-a12c-4bde-82dc-010e95d7b243",
    "task": "sub",
    "question": "Modify the molecule Fc1cc(Cl)ccc1NC(c1ccc(Cl)cc1)C1CC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1cc(Cl)ccc1NC(c1ccc(Cl)cc1)C1CC1",
    "ref_smiles": "O=C(O)c1cc(Cl)ccc1NC(c1ccc(Cl)cc1)C1CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "60e0d428-61cc-45aa-a510-18fe2f2de64a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule C[NH+]=C(NCc1cccc(C(F)(F)F)c1)NCc1nccn1Cc1ccccc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]=C(NCc1cccc(C(F)(F)F)c1)NCc1nccn1Cc1ccccc1",
    "ref_smiles": "C[NH+]=C(NCc1cccc(C=O)c1)NCc1nccn1Cc1ccccc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "1d123371-0d30-4e0c-b0f3-ffacce3400dc",
    "task": "sub",
    "question": "Modify the molecule CC1=Cc2c(cc3c(c2Br)OCO3)C1CCC1=CC=CC1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=Cc2c(cc3c(c2Br)OCO3)C1CCC1=CC=CC1",
    "ref_smiles": "CC1=Cc2c(cc3c(c2O)OCO3)C1CCC1=CC=CC1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "94c2292a-a3f0-4c52-abee-c47c022880bc",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC1CN(c2ccc3c(c2)OCO3)CCN1C(=O)C1CCCCC1C(=O)NC1(C#N)CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CN(c2ccc3c(c2)OCO3)CCN1C(=O)C1CCCCC1C(=O)NC1(C#N)CC1",
    "ref_smiles": "CC(=O)C1(NC(=O)C2CCCCC2C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2C)CC1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "5cf50e30-cc32-486a-873c-729c3b86f779",
    "task": "sub",
    "question": "Modify the molecule CCC1Nc2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc21 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1Nc2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc21",
    "ref_smiles": "CCC1Nc2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)C(=O)O)c4)c4ccccc34)ccc21",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "278757ea-be5c-44b4-8ab4-df2fa51fee53",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)NC(CC(=O)N1CC[NH2+]C(C)C1C)c1ccc(Cl)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)NC(CC(=O)N1CC[NH2+]C(C)C1C)c1ccc(Cl)cc1",
    "ref_smiles": "CC(=O)NC(CC(=O)N1CC[NH2+]C(C)C1C)c1ccc(S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "8ad9895e-fda2-4dc3-beb8-02657ccd1ff5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CN(C)C(=O)c1cccc(Nc2c(NC(c3cccc(C(F)(F)F)c3)C(C)(C)C)c(=O)c2=O)c1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)C(=O)c1cccc(Nc2c(NC(c3cccc(C(F)(F)F)c3)C(C)(C)C)c(=O)c2=O)c1O",
    "ref_smiles": "CN(C)C(=O)c1cccc(Nc2c(NC(c3c(C=O)cccc(C)c3)C(C)(C)C)c(=O)c2=O)c1O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "82cc779d-8b2d-40cd-977a-bfffe9c31d77",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule C=C(C=CC(=CC)c1cccc(NS(=O)(=O)c2ccccc2C#N)c1)C1CC1[NH2+]C1CCC([NH3+])CC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=C(C=CC(=CC)c1cccc(NS(=O)(=O)c2ccccc2C#N)c1)C1CC1[NH2+]C1CCC([NH3+])CC1",
    "ref_smiles": "C=C(C=CC(=CC)c1cccc(NS(=O)(=O)c2ccccc2F)c1)C1CC1[NH2+]C1CCC([NH3+])CC1",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "e4aba6d1-e77d-4976-a5d6-770d63a725cb",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCc1cccc(C(C)(O)Cc2ccc(OC)cc2)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCc1cccc(C(C)(O)Cc2ccc(OC)cc2)c1",
    "ref_smiles": "CCCc1cccc(C(C)(Cc2ccc(OC)cc2)C(=O)O)c1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "53617576-2f0c-47b4-ae58-0e56120ee7ff",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)C2c2ccc(O)c(Cl)c2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)C2c2ccc(O)c(Cl)c2)c1",
    "ref_smiles": "COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)C2c2ccc(NO)c(Cl)c2)c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "af481487-3fc1-4a06-a850-58c5de736aa2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(OC(F)F)cc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(OC(F)F)cc1",
    "ref_smiles": "Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(OC(F)S)cc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "6589f92a-099c-4ec5-a6d5-02f3d3303b4a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1c(Cl)c[nH+]c1C1CCC(CI)O1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1c(Cl)c[nH+]c1C1CCC(CI)O1",
    "ref_smiles": "Cn1c(C#N)c[nH+]c1C1CCC(CI)O1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "d734816c-2676-425c-8de9-ccc29aade25c",
    "task": "sub",
    "question": "Please substitute a nitro in the molecule CS(=O)(=O)CCn1c(CO)cc2cc([N+](=O)[O-])ccc21 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CS(=O)(=O)CCn1c(CO)cc2cc([N+](=O)[O-])ccc21",
    "ref_smiles": "CS(=O)(=O)CCn1c(CO)cc2cc([SH]=O)ccc21",
    "add_group": "thiol",
    "remove_group": "nitro"
  },
  {
    "id": "c7c9adbe-b664-4bab-a129-e56595b5f25c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C#CCC[NH+](C)C1CC(C)OC(OC2C(C)C(=O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOC3CC[NH2+]C3)CCC2(C)OC)C1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C#CCC[NH+](C)C1CC(C)OC(OC2C(C)C(=O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOC3CC[NH2+]C3)CCC2(C)OC)C1O",
    "ref_smiles": "C#CCC(=O)[NH+](C)C1CC(C)OC(OC2C(C)C(=O)C(C)C(=O)OC(CC)C(C)C(C)C(=NOC3CC[NH2+]C3)CCC2(C)OC)C1O",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "39e3dbbc-8bea-4dc2-8250-cd363420680a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(C(CC(=O)Cl)c2cccc(F)c2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(CC(=O)Cl)c2cccc(F)c2)cc1",
    "ref_smiles": "COc1ccc(C(CC(=O)C(=O)O)c2cccc(F)c2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e9f6c00a-456f-495a-82be-5f8f4310d78d",
    "task": "sub",
    "question": "Modify the molecule CCCCOC(=O)CC1(C(=O)[O-])CC(c2ccc(O)cc2)=NO1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCOC(=O)CC1(C(=O)[O-])CC(c2ccc(O)cc2)=NO1",
    "ref_smiles": "CCCCOC(=O)CC1(C(=O)[O-])CC(c2ccc(Cl)cc2)=NO1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "ead203a3-e08a-4fae-ae70-d3afaa431ad2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=CC(C)c1cc(NC(=O)c2ccc(OC(C)(F)F)cn2)ccc1F)OC(N)=[NH2+] with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=CC(C)c1cc(NC(=O)c2ccc(OC(C)(F)F)cn2)ccc1F)OC(N)=[NH2+]",
    "ref_smiles": "CC(=CC(C)c1cc(NC(=O)c2ccc(OC(C)(O)F)cn2)ccc1F)OC(N)=[NH2+]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "19952cc5-b421-44c3-bbe7-2ad8aeb5b664",
    "task": "sub",
    "question": "Modify the molecule CCc1cnc(C(O)C2CCC2)s1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1cnc(C(O)C2CCC2)s1",
    "ref_smiles": "CCc1cnc(C(C(=O)O)C2CCC2)s1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c7a19751-0bd5-4c54-9732-e44444b8b058",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(Cl)nc1-c1ccccc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(Cl)nc1-c1ccccc1",
    "ref_smiles": "CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(C(=O)O)nc1-c1ccccc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "f96eca22-61fc-47e1-9b22-2f9f43768cc9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(c1cccs1)n1c(CCl)nc2cccnc21 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(c1cccs1)n1c(CCl)nc2cccnc21",
    "ref_smiles": "CCC(c1cccs1)n1c(CS)nc2cccnc21",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "1047e88c-2b60-4d7b-9afb-05713d82d7cf",
    "task": "sub",
    "question": "Modify the molecule CCCC(F)(F)c1cccc(C2CCC(=O)CC2)c1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(F)(F)c1cccc(C2CCC(=O)CC2)c1",
    "ref_smiles": "O=CCCCc1cccc(C2CCC(=O)CC2)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "add5090a-85ea-4812-829f-27af56a734e3",
    "task": "sub",
    "question": "Modify the molecule CC(C)c1c(Cl)ccc(C(=O)[O-])c1S(=O)(=O)N=C=O by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1c(Cl)ccc(C(=O)[O-])c1S(=O)(=O)N=C=O",
    "ref_smiles": "CC(C)c1c(O)ccc(C(=O)[O-])c1S(=O)(=O)N=C=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4bd14360-b633-432c-a1d7-8e1681ea4fe9",
    "task": "sub",
    "question": "Modify the molecule CCOC(Cc1ccc(OCCN(CCCOCc2cc(Cl)cc(Cl)c2)C(=O)Nc2cc(C)ccc2OC)cc1)C(=O)[O-] by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(Cc1ccc(OCCN(CCCOCc2cc(Cl)cc(Cl)c2)C(=O)Nc2cc(C)ccc2OC)cc1)C(=O)[O-]",
    "ref_smiles": "CCOC(Cc1ccc(OCCN(CCCOCc2cc(O)cc(Cl)c2)C(=O)Nc2cc(C)ccc2OC)cc1)C(=O)[O-]",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "6e9bcfb6-a9a7-4eac-9ab6-58b60c6f564b",
    "task": "sub",
    "question": "Modify the molecule Cc1ccc(C2CCC(OC(=O)C(C)(F)F)CC2)cc1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ccc(C2CCC(OC(=O)C(C)(F)F)CC2)cc1",
    "ref_smiles": "Cc1ccc(C2CCC(OC(=O)C(C)(F)C(=O)[OH])CC2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "26cc0a1f-f2ac-46a3-a2cd-ddd4bc6f25f0",
    "task": "sub",
    "question": "Modify the molecule CCC1(C(=O)[O-])CCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)CC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1(C(=O)[O-])CCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)CC1",
    "ref_smiles": "CCC1(C(=O)[O-])CCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4C(=O)O)n3)ncc2F)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "fbe887ff-2909-43bc-8770-86b4eccdf0df",
    "task": "sub",
    "question": "Modify the molecule C[NH+]=C(NCc1cccc(OC)c1)NCc1c(F)cccc1OC(F)F by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH+]=C(NCc1cccc(OC)c1)NCc1c(F)cccc1OC(F)F",
    "ref_smiles": "C[NH+]=C(NCc1cccc(OC)c1)NCc1c(O)cccc1OC(F)F",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "d4574fb4-9425-477d-9f46-f4c67cb55079",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Cl)cc1",
    "ref_smiles": "Cc1nnc(SCc2ccccc2NO)n1N=Cc1ccc(Cl)cc1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "d6a64547-de19-4e51-9766-c9384f899925",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)Oc1nc[nH]c(=O)c1Cl with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)Oc1nc[nH]c(=O)c1Cl",
    "ref_smiles": "CC(C)(C)Oc1nc[nH]c(=O)c1O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "4cce6313-7a7b-42bd-b273-37e43558f265",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule C=CC(=O)NCC(OC(CNC(=O)C=C)c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CC(=O)NCC(OC(CNC(=O)C=C)c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O",
    "ref_smiles": "C=CC(=O)NCC(OC(CNC(=O)C=C)c1cc(C=O)cc(C(C)(C)C)c1)c1cc(C)cc(C(C)(C)C)c1",
    "add_group": "aldehyde",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a7ecb34c-9f56-4ef9-8bdb-5d5fed4010d6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNC(=O)C1C[NH2+]CCN1Cc1cc(F)ccc1F with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)C1C[NH2+]CCN1Cc1cc(F)ccc1F",
    "ref_smiles": "CNC(=O)C1C[NH2+]CCN1Cc1cc(C#N)ccc1F",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "dff0c0c1-5e49-4a26-ab47-779570528aeb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=c1cccnn1CCNc1ccccc1Br with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=c1cccnn1CCNc1ccccc1Br",
    "ref_smiles": "O=C1C=CC=NN1CCNc1ccc(C=O)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "d6588982-8c08-4756-b312-0f87664534d9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CN(c2ncc(CC(O)CO)cc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CN(c2ncc(CC(O)CO)cc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1",
    "ref_smiles": "CC1CN(c2ncc(CC(O)CO)cc2C#N)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "63fed2b4-927e-4ab0-9d32-9ebc0e2702e9",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Nc1cc(F)c(Cl)cc1NC1(CO)CCCCC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Nc1cc(F)c(Cl)cc1NC1(CO)CCCCC1",
    "ref_smiles": "Nc1cc(F)c(Cl)cc1NC1(CNO)CCCCC1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "f1db40aa-9506-4d49-97cb-03c6447ec054",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COC(=O)c1c2cc(Cl)c(=O)cc-2[nH]c(-c2cccc(C(F)(F)F)c2)c1C with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)c1c2cc(Cl)c(=O)cc-2[nH]c(-c2cccc(C(F)(F)F)c2)c1C",
    "ref_smiles": "COC(=O)c1c2ccc(=O)cc-2[nH]c(-c2cccc(C(F)(F)F)c2)c1C=O",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "5bb427ca-50aa-48e4-b7ed-1fc84ded0408",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCC#CC(C)(CO)OC with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCC#CC(C)(CO)OC",
    "ref_smiles": "CCCCCCC#CC(C)(CBr)OC",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2c5891f8-5823-44de-8edf-0e44781912f1",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)NC1CC1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)NC1CC1",
    "ref_smiles": "O=C(COC(=O)c1ccc(S)cc1)Nc1ccccc1C(=O)NC1CC1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "7d759913-5709-4223-bad3-5aa707b1307a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(C[NH+]3CCC(C(=O)[O-])(C(=O)[O-])CC3)c(C)c2)s1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(C[NH+]3CCC(C(=O)[O-])(C(=O)[O-])CC3)c(C)c2)s1",
    "ref_smiles": "CCCCN(C(=O)c1ccccc1C(=O)O)c1nnc(-c2cc(C)c(C[NH+]3CCC(C(=O)[O-])(C(=O)[O-])CC3)c(C)c2)s1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "151d410d-3cbc-497d-b2ca-8c9158bb5bac",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)NS(=O)(=O)CCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)NS(=O)(=O)CCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2",
    "ref_smiles": "CC(C)NS(=O)(=O)CCCOc1ccc2c(c1)C(C1(c3ccc(S)cc3)CCC1)[NH2+]CC2",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "d843510a-441b-4087-a42d-6b2c25c524c4",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(=O)Nc1cccc(Nc2nccc(Nc3cccc(Cl)c3C)n2)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)Nc1cccc(Nc2nccc(Nc3cccc(Cl)c3C)n2)c1",
    "ref_smiles": "CC(=O)Nc1cccc(Nc2nccc(Nc3cccc(C#N)c3C)n2)c1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "fe2e0e23-19b3-434c-9eb6-e4063cf6d9b6",
    "task": "sub",
    "question": "Please substitute a thiol in the molecule CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CS)C(=O)NC(CCC(N)=O)C(=O)[O-] with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CS)C(=O)NC(CCC(N)=O)C(=O)[O-]",
    "ref_smiles": "CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])C(=O)H)C(=O)NC(CCC(N)=O)C(=O)[O-]",
    "add_group": "aldehyde",
    "remove_group": "thiol"
  },
  {
    "id": "7177e451-4d27-4ead-aa18-612207bdafd4",
    "task": "sub",
    "question": "Modify the molecule CN(C)C(=O)c1ccc(C[NH+](C)CC(C)(CO)CO)cc1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CN(C)C(=O)c1ccc(C[NH+](C)CC(C)(CO)CO)cc1",
    "ref_smiles": "CN(C)C(=O)c1ccc(C[NH+](C)CC(C)(CO)CC(=O)O)cc1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "65468923-ef1a-4c1c-b3ad-9a3096c34c8b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCNC(=O)Cn1c(=S)[nH]c2ccc(Cl)cc21 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCNC(=O)Cn1c(=S)[nH]c2ccc(Cl)cc21",
    "ref_smiles": "CCNC(=O)Cn1c(=S)[nH]c2ccc(S)cc21",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "994b6c5a-5a2f-4c96-86ba-ac78fa858b76",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(CCn1nnnc1-c1ccc(Cl)cc1Br)C(=O)[O-] with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CCn1nnnc1-c1ccc(Cl)cc1Br)C(=O)[O-]",
    "ref_smiles": "CC(CCn1nnnc1-c1ccc(C=O)cc1Br)C(=O)[O-]",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "3bcd5bdf-50f2-4ea1-a9fc-15c9e4639150",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccc(C(OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2NS(=O)(=O)NCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(C(OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2NS(=O)(=O)NCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1",
    "ref_smiles": "COc1ccc(C(OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2NS(=O)(=O)NCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2NO)(c2ccccc2)c2ccc(OC)cc2)cc1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "b151f08c-2672-4a26-8eed-afffa0b2bda6",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(CCNC(=O)NC(C(N)=O)C(C)O)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(CCNC(=O)NC(C(N)=O)C(C)O)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O",
    "ref_smiles": "CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(CCNC(=O)NC(C(N)=O)C(C)C#N)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a88c95c2-56a6-4d86-8362-6b22ef9344c5",
    "task": "sub",
    "question": "Modify the molecule Fc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1Cl by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1Cl",
    "ref_smiles": "O=Cc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1Cl",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "91ff0d17-c7a2-4d30-a5bd-5c0587404ae0",
    "task": "sub",
    "question": "Modify the molecule OC(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1",
    "ref_smiles": "O=C([OH])C(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "09627d09-0eae-400f-9984-2e31719401a6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Fc1ccc2c(c1)C(Br)CCO2 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Fc1ccc2c(c1)C(Br)CCO2",
    "ref_smiles": "O=C([OH])c1ccc2c(c1)C(Br)CCO2",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "3014e3cf-a8f7-498d-b5d7-246e7f55f8ce",
    "task": "sub",
    "question": "Modify the molecule CCCCCN(C(=O)C(C)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1Cl)c1cc(C)ccc1C by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCN(C(=O)C(C)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1Cl)c1cc(C)ccc1C",
    "ref_smiles": "CCCCCN(C(=O)C(C)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1C(=O)O)c1cc(C)ccc1C",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e8613386-e627-4364-97b9-d94507415312",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc2c(cc1F)nc(CCCl)n2CCNC(N)=O with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc2c(cc1F)nc(CCCl)n2CCNC(N)=O",
    "ref_smiles": "Cc1cc2c(cc1C(=O)[OH])nc(CCCl)n2CCNC(N)=O",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e7965dff-ad58-4903-a0a5-bdd03750504c",
    "task": "sub",
    "question": "Modify the molecule O=C(NCCCC[NH+]1CCCCC1)Nc1ccc(-c2ccccc2F)c(F)c1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCCCC[NH+]1CCCCC1)Nc1ccc(-c2ccccc2F)c(F)c1",
    "ref_smiles": "N#Cc1ccccc1-c1ccc(NC(=O)NCCCC[NH+]2CCCCC2)cc1F",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "1116fe76-7898-45c2-8049-25eb05c3e635",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CSc1ccccc1C(=O)N1CC2CCC(O)C2C1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CSc1ccccc1C(=O)N1CC2CCC(O)C2C1",
    "ref_smiles": "CSc1ccccc1C(=O)N1CC2CCC(I)C2C1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "16fa0be9-561d-471d-8351-73ee262a1d1a",
    "task": "sub",
    "question": "Modify the molecule CCC(=O)Nc1ccc(N2CCCC(C=O)(CC[NH2+]C34CC5CC(C3)C(O)C(C5)C4)C2)c(F)c1 by substituting a halo with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(=O)Nc1ccc(N2CCCC(C=O)(CC[NH2+]C34CC5CC(C3)C(O)C(C5)C4)C2)c(F)c1",
    "ref_smiles": "CCC(=O)Nc1ccc(N2CCCC(C=O)(CC[NH2+]C34CC5CC(C3)C(O)C(C5)C4)C2)c(S)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "09a73aa5-4aa8-492d-8c14-91d07f6945e9",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2F)C1c1c(C)[nH]c2ccccc12 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2F)C1c1c(C)[nH]c2ccccc12",
    "ref_smiles": "CCOc1c(OC)cccc1C1=C(Br)C(=O)N(c2ccccc2F)C1c1c(C)[nH]c2ccccc12",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bb75ba5f-8c43-4a6c-baaa-3d0e8608a11c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)(C)N1Cc2sc(-c3ccc(S(C)(=O)=O)cc3)c(Br)c2S1(=O)=O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)(C)N1Cc2sc(-c3ccc(S(C)(=O)=O)cc3)c(Br)c2S1(=O)=O",
    "ref_smiles": "CC(C)(C)N1Cc2sc(-c3ccc(S(C)(=O)=O)cc3)c(S)c2S1(=O)=O",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "f102214e-9302-4a19-9d3d-4de8e878436c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC1(CC)CC(=O)N(c2cc(Br)ccc2C)C1=O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC1(CC)CC(=O)N(c2cc(Br)ccc2C)C1=O",
    "ref_smiles": "CCC1(CC)CC(=O)N(c2cc(S)ccc2C)C1=O",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "8417117b-8bc9-4678-a2ce-c4057508b67b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2cccc(Cl)c2Cl)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2cccc(Cl)c2Cl)c1",
    "ref_smiles": "Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2cccc(S)c2Cl)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "33613e67-f2c9-49b1-adf1-67512e88d19b",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COCCc1nc2c(C)c(Cl)c(C)cc2o1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCCc1nc2c(C)c(Cl)c(C)cc2o1",
    "ref_smiles": "COCCc1nc2c(C)c(C#N)c(C)cc2o1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e52e5e08-babf-47c8-b31b-b44bcb954acd",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CNC(=O)c1cccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(F)ccc4C)ccc3C)CC2)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CNC(=O)c1cccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(F)ccc4C)ccc3C)CC2)c1",
    "ref_smiles": "CNC(=O)c1cccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(C(=O)O)ccc4C)ccc3C)CC2)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "c37d7bc6-9eb6-4faa-9ebb-c39f63bc01ca",
    "task": "sub",
    "question": "Modify the molecule O=C(CCCOc1ccc(Cl)cc1)N1CCN(c2ccc(Br)cn2)CC1 by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCCOc1ccc(Cl)cc1)N1CCN(c2ccc(Br)cn2)CC1",
    "ref_smiles": "N#Cc1ccc(OCCCC(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "ffadf577-366e-4b59-8a75-2be3f66b6665",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(C)n(C(CNC(=O)COc2ccccc2F)c2ccco2)n1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(C)n(C(CNC(=O)COc2ccccc2F)c2ccco2)n1",
    "ref_smiles": "Cc1cc(C)n(C(CNC(=O)COc2ccc(C=O)cc2)c2ccco2)n1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "67f42e20-e41c-40f3-a0cb-c75fb6a715d5",
    "task": "sub",
    "question": "Modify the molecule COCC[NH+]1CC2(CCN(c3ccc(N4CCc5cc(OCC6CCCO6)ccc5C4=O)cc3F)C2)C1 by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COCC[NH+]1CC2(CCN(c3ccc(N4CCc5cc(OCC6CCCO6)ccc5C4=O)cc3F)C2)C1",
    "ref_smiles": "COCC[NH+]1CC2(CCN(c3ccc(N4CCc5cc(OCC6CCCO6)ccc5C4=O)cc3O)C2)C1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "54dccd7b-8071-4fad-9d97-81baf030443c",
    "task": "sub",
    "question": "Modify the molecule O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc(F)ccc2[nH]1 by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc(F)ccc2[nH]1",
    "ref_smiles": "O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5be53709-071c-40a4-9be8-d0a40660e77b",
    "task": "sub",
    "question": "Modify the molecule CC1=C(C#N)C(c2ccc(C#N)cc2)n2c(N)nnc2N1c1cccc(CF)c1 by substituting a nitrile with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=C(C#N)C(c2ccc(C#N)cc2)n2c(N)nnc2N1c1cccc(CF)c1",
    "ref_smiles": "CC1=C(NO)C(c2ccc(C#N)cc2)n2c(N)nnc2N1c1cccc(CF)c1",
    "add_group": "nitro",
    "remove_group": "nitrile"
  },
  {
    "id": "12c07e23-972e-4aa3-b5da-5c1a94f9e4ae",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1noc(-c2cccnc2N2CCC(Cc3cccc(F)c3)CC2)n1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1noc(-c2cccnc2N2CCC(Cc3cccc(F)c3)CC2)n1",
    "ref_smiles": "Cc1noc(-c2cccnc2N2CCC(Cc3cccc(C(=O)[OH])c3)CC2)n1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "0cd92bf2-a6a9-4957-9f42-489c477c71e0",
    "task": "sub",
    "question": "Modify the molecule CC(O)CC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1 by substituting a nitrile with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(O)CC(C)CNC(=O)C(C)Oc1ccc(C#N)cc1",
    "ref_smiles": "CC(=O)c1ccc(OC(C)C(=O)NCC(C)CC(C)O)cc1",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "35a2f567-80ad-434d-9613-1db8b4d766cf",
    "task": "sub",
    "question": "Modify the molecule O=C([O-])c1ccc(O)c(C=Nc2ccc(I)cc2)c1 by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])c1ccc(O)c(C=Nc2ccc(I)cc2)c1",
    "ref_smiles": "N#Cc1ccc(C(=O)[O-])cc1C=Nc1ccc(I)cc1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "efe8b6c6-1871-4b3f-9d8c-c53a86d41210",
    "task": "sub",
    "question": "Modify the molecule CC(CCNS(=O)(=O)CCO)c1ccccc1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(CCNS(=O)(=O)CCO)c1ccccc1",
    "ref_smiles": "CC(CCNS(=O)(=O)CCBr)c1ccccc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c86d349a-738a-40e7-a292-8a63a435d90f",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(=O)c1ccc(C#N)c(NCCNc2ncc(Cl)cc2Cl)c1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)c1ccc(C#N)c(NCCNc2ncc(Cl)cc2Cl)c1",
    "ref_smiles": "CC(=O)c1ccc(C(=O)[OH])c(NCCNc2ncc(Cl)cc2Cl)c1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "8838dfc5-483b-4d01-8a2f-6d0b623547ca",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule COC(=O)CCCCNC(=O)C1C=C(C#N)C(SC)=NC1=O with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(=O)CCCCNC(=O)C1C=C(C#N)C(SC)=NC1=O",
    "ref_smiles": "COC(=O)CCCCNC(=O)C1C=C(S)C(SC)=NC1=O",
    "add_group": "thiol",
    "remove_group": "nitrile"
  },
  {
    "id": "29af02e8-3640-4afd-a30b-cbc4267a57fb",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc(CCn2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1OC with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(CCn2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1OC",
    "ref_smiles": "COc1ccc(CCn2c(C)c(C)c3c2ncn2nc(-c4ccc(O)cc4)nc32)cc1OC",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1459970d-26ca-40db-a0fd-1ae407a17673",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC[NH2+]C(C)(CO)CCCCN(C)c1cccc(F)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC[NH2+]C(C)(CO)CCCCN(C)c1cccc(F)c1",
    "ref_smiles": "CC(=O)c1cccc(N(C)CCCCC(C)(CO)[NH2+]CCC)c1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "8e19f0e4-396e-4a2f-974d-843fc77729ae",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)C3(CF)CC3)C4)ccc2[nH+]1)c1ccnc(F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)C3(CF)CC3)C4)ccc2[nH+]1)c1ccnc(F)c1",
    "ref_smiles": "N#Cc1ccc(-c2nc3n(c2-c2ccc4[nH+]c(NC(=O)c5ccncc5)cn4n2)CCN(C(=O)C2(C)CC2)C3)cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "d7030e70-7faa-40ad-98bc-9ab845876d7e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1",
    "ref_smiles": "O=C(Cc1ccc(S)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "3ef10911-3723-4ef1-b179-2944c8c37e57",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(O)c2ccccc2)cc1",
    "ref_smiles": "CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(I)c2ccccc2)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d4899406-d7f6-47d6-9eaf-6bd0a2dad1c5",
    "task": "sub",
    "question": "Please substitute a halo in the molecule N=C(OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "N=C(OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl",
    "ref_smiles": "N#CC(Cl)(Cl)C(=N)OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "bb3af60a-f3ae-404b-a747-9a9114476f7a",
    "task": "sub",
    "question": "Modify the molecule CCOC1CC([NH3+])(C(=O)N(C)Cc2cccc(Cl)c2)C1(C)C by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC1CC([NH3+])(C(=O)N(C)Cc2cccc(Cl)c2)C1(C)C",
    "ref_smiles": "CCOC1CC([NH3+])(C(=O)N(C)Cc2cccc(C=O)c2)C1(C)C",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "1f313e2e-0921-4918-94a4-ed27c371b74f",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCN(C)C(=O)c1cc(-c2nnc(C)n2-c2ccccc2F)c(O)cc1O with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCN(C)C(=O)c1cc(-c2nnc(C)n2-c2ccccc2F)c(O)cc1O",
    "ref_smiles": "CCCN(C)C(=O)c1cc(-c2nnc(C)n2-c2ccccc2F)c([N+](=O)[O-])cc1O",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "56acc92d-43e0-45a8-8287-c2b2de242f40",
    "task": "sub",
    "question": "Modify the molecule CC(C)Cn1ncnc1CC(NN)c1ccncc1F by substituting a halo with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)Cn1ncnc1CC(NN)c1ccncc1F",
    "ref_smiles": "CC(C)Cn1ncnc1CC(NN)c1ccncc1C#N",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "7dfc5856-99f0-41c8-b6cc-aa6eea679265",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl",
    "ref_smiles": "O=C1C(S)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "79dc8f6f-0a80-4cd4-9526-a55542ba26f4",
    "task": "sub",
    "question": "Modify the molecule CC(C)CCCC([NH3+])c1c(F)cccc1Cl by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CCCC([NH3+])c1c(F)cccc1Cl",
    "ref_smiles": "CC(C)CCCC([NH3+])c1c(Cl)cccc1NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5b25f5b7-7fce-40f8-8acb-77b08c55e140",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1",
    "ref_smiles": "Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sc3c(c2C(=O)[OH])CCCC3)o1",
    "add_group": "carboxyl",
    "remove_group": "nitrile"
  },
  {
    "id": "02f774fa-d2e9-4b06-aa39-156919f924ec",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5c(F)cccc5F)cc4C)CC3)c2)c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5c(F)cccc5F)cc4C)CC3)c2)c1",
    "ref_smiles": "Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5c(F)cccc5F)cc4C)CC3)c2)c1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "4fa07898-4605-4f24-8b27-9dde689b55e7",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCC(CO)(Nc1ccccc1Cl)c1cccc(F)c1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CO)(Nc1ccccc1Cl)c1cccc(F)c1",
    "ref_smiles": "CCC(CC#N)(Nc1ccccc1Cl)c1cccc(F)c1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "e23c216e-9713-45ae-a411-ee85b4a2c2f3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCc1ccc(-c2cc(C3(O)CCC4(CC3)OCCO4)nn2-c2ccc(OC)cc2)cc1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCc1ccc(-c2cc(C3(O)CCC4(CC3)OCCO4)nn2-c2ccc(OC)cc2)cc1",
    "ref_smiles": "CCc1ccc(-c2cc(C3(Cl)CCC4(CC3)OCCO4)nn2-c2ccc(OC)cc2)cc1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "a6809128-0de5-4296-90c5-550f179c80ac",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(CSC)[NH2+]C1CCC(C(F)(F)F)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(CSC)[NH2+]C1CCC(C(F)(F)F)CC1",
    "ref_smiles": "CCC(CSC)[NH2+]C1CCC(C(F)(F)NO)CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "86c1fc39-9ad2-4d08-8ba3-d86e2540479e",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1ncccc1Oc1ccc(C=O)cc1F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1ncccc1Oc1ccc(C=O)cc1F",
    "ref_smiles": "Cc1ncccc1Oc1ccc(C=O)cc1S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "fbe2d81a-c20d-4f71-bbd7-ca8c67a44251",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(=O)[nH]c(C)c1C(F)F with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(=O)[nH]c(C)c1C(F)F",
    "ref_smiles": "Cc1cc(=O)[nH]c(C)c1C(F)NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "01539081-a09a-4e89-891f-f04720a19741",
    "task": "sub",
    "question": "Modify the molecule OB(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OB(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1",
    "ref_smiles": "OB(F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "0724a51e-baf8-4a62-a2c5-1e8852fad84c",
    "task": "sub",
    "question": "Modify the molecule CC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)[O-])cc4)c3)cc2)cc1O by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)[O-])cc4)c3)cc2)cc1O",
    "ref_smiles": "CC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)[O-])cc4)c3)cc2)cc1C(=O)[OH]",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "cc105c41-2313-46b3-981d-ae7ae1690ab8",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NCC(N1CC[NH+](CC2CC2)CC1)C(F)(F)F with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NCC(N1CC[NH+](CC2CC2)CC1)C(F)(F)F",
    "ref_smiles": "NCC(N1CC[NH+](CC2CC2)CC1)C(F)(F)S",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "c67a6b98-7930-4f48-a36d-97fc30a22f85",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC(C)CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br",
    "ref_smiles": "CC(C)CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCCC(C)C)c(NO2)c2)cc1Br",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "52942b8e-62a0-4c92-9bbc-912fce6fb3fa",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CCCCCCCOc1c(C(=O)N=Nc2c(O)[nH]c3ccccc23)sc(C(=O)N=Nc2c(O)[nH]c3ccccc23)c1OCCCCCCC with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCCCCOc1c(C(=O)N=Nc2c(O)[nH]c3ccccc23)sc(C(=O)N=Nc2c(O)[nH]c3ccccc23)c1OCCCCCCC",
    "ref_smiles": "CCCCCCCOc1c(C(=O)N=Nc2c(O)[nH]c3ccccc23)sc(C(=O)N=Nc2c(S)[nH]c3ccccc23)c1OCCCCCCC",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "7d2f7834-cbbd-456d-8193-c39377e8b231",
    "task": "sub",
    "question": "Modify the molecule CCOCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(F)cc2)C1=O by substituting a halo with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(F)cc2)C1=O",
    "ref_smiles": "CCOCCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(O)cc2)C1=O",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "5e8dd84c-4c73-49f0-b7a8-e4fd65cc8c23",
    "task": "sub",
    "question": "Modify the molecule O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1",
    "ref_smiles": "O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "ec8afd19-118f-4ae3-8c8d-c3f2c582bfbf",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(C(=O)OCC)ccc21 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(C(=O)OCC)ccc21",
    "ref_smiles": "C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCF)CCC#N)cc2)sc2cc(C(=O)OCC)ccc21",
    "add_group": "halo",
    "remove_group": "nitrile"
  },
  {
    "id": "c25b79c9-3b26-4b47-ac1d-79fb6b1ec069",
    "task": "sub",
    "question": "Modify the molecule COC(C)(C)CCC(CBr)Cc1cccc(F)c1 by substituting a halo with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COC(C)(C)CCC(CBr)Cc1cccc(F)c1",
    "ref_smiles": "COC(C)(C)CCC(CC(=O)O)Cc1cccc(F)c1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "418fb7cf-d6a4-4f49-b5c9-70e4646cd0dc",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCn1c(=O)sc2cc(NC(=O)C(C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)ccc21 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCn1c(=O)sc2cc(NC(=O)C(C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)ccc21",
    "ref_smiles": "CCn1c(=O)sc2cc(NC(=O)C(C)N(c3cc(C=O)ccc3)S(C)(=O)=O)ccc21",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "5bbdae55-4995-460f-a4de-bf2129c21153",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ncnc(Nc2ccc(C)c(F)c2)c1N with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ncnc(Nc2ccc(C)c(F)c2)c1N",
    "ref_smiles": "COc1ncnc(Nc2ccc(C)c(O)c2)c1N",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "1efa4101-f9e4-4e75-a977-e91d73f3cfea",
    "task": "sub",
    "question": "Modify the molecule CC[NH+](CC)CC(C)NS(=O)(=O)CCCCl by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC[NH+](CC)CC(C)NS(=O)(=O)CCCCl",
    "ref_smiles": "CC(=O)CCCS(=O)(=O)NC(C)C[NH+](CC)CC",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "d6dcb957-b192-435a-b82d-85122a44c841",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CC1CN(C(=O)c2cccc(F)c2NN)C(C)CO1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1CN(C(=O)c2cccc(F)c2NN)C(C)CO1",
    "ref_smiles": "CC1CN(C(=O)c2cccc(C(=O)[OH])c2NN)C(C)CO1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "e2a6521c-e925-47c9-9dee-909dd33d66f2",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccccc1C(=O)NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccccc1C(=O)NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1",
    "ref_smiles": "COc1ccccc1C(=O)NC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C=O)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "c6d1fcb0-41db-47fc-bcde-dd3a0667088c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1",
    "ref_smiles": "COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "1e66f114-f6a0-481d-8391-bfe6a18fc964",
    "task": "sub",
    "question": "Modify the molecule CCCC(=NOCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1Cl by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(=NOCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1Cl",
    "ref_smiles": "CCCC(=NOCc1ccc(NC(=O)NC(=O)c2c(F)cccc2NO)cc1Cl)c1ccc(Cl)cc1Cl",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "bc52e67b-d793-4310-b6b0-85915ca6af50",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1",
    "ref_smiles": "Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCCc2nc3cc(C(=O)[OH])ccc3s2)cc1",
    "add_group": "carboxyl",
    "remove_group": "halo"
  },
  {
    "id": "aa76ef9c-d5b1-494f-b190-8c2d013b723a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1",
    "ref_smiles": "O=C(c1ccccc1S)N(Cc1ccc(F)cc1)C(c1ccccc1)c1ccccc1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "78406a64-62d6-4475-af19-746b27d7767c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC1=C(C=CC(O)c2ccc(C(=O)[O-])cc2)C(C)(C)CCC1 with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC1=C(C=CC(O)c2ccc(C(=O)[O-])cc2)C(C)(C)CCC1",
    "ref_smiles": "CC1=C(C=CC(C#N)c2ccc(C(=O)[O-])cc2)C(C)(C)CCC1",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "c5071c57-7f84-4ccd-88c9-004767012597",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3Cl)n2C)cc1 with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3Cl)n2C)cc1",
    "ref_smiles": "CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(O)cc3Cl)n2C)cc1",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "5560705c-ee86-4148-90e6-205e2a2afc88",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule O=C([O-])CN1CC[NH+](CC(=O)[O-])Cc2ccc(CCC(=O)NCCO)c(n2)C[NH+](CC(=O)[O-])CC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C([O-])CN1CC[NH+](CC(=O)[O-])Cc2ccc(CCC(=O)NCCO)c(n2)C[NH+](CC(=O)[O-])CC1",
    "ref_smiles": "O=C([O-])CN1CC[NH+](CC(=O)[O-])Cc2ccc(CCC(=O)NCCI)c(n2)C[NH+](CC(=O)[O-])CC1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "87c5674b-a623-463e-a8ab-5e7c122f9d53",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cc1cc(F)c(Br)cc1NC(=O)NC1CCc2nnnn2CC1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cc(F)c(Br)cc1NC(=O)NC1CCc2nnnn2CC1",
    "ref_smiles": "CC(=O)c1cc(C)c(NC(=O)NC2CCc3nnnn3CC2)cc1Br",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "734e367e-8702-4ceb-9233-de6ca908d622",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C1CSC(NN=Cc2ccccc2OC(F)(F)F)=[NH+]1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C1CSC(NN=Cc2ccccc2OC(F)(F)F)=[NH+]1",
    "ref_smiles": "O=C1CSC(NN=Cc2ccc(C=O)cc(OCH3)c2)=[NH+]1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "2d81407c-375f-4826-a488-94e5a73247d6",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4F)cc3C)CC2)ccc1OC with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4F)cc3C)CC2)ccc1OC",
    "ref_smiles": "CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4c(F)cccc4C#N)cc3C)CC2)ccc1OC",
    "add_group": "nitrile",
    "remove_group": "halo"
  },
  {
    "id": "e388830e-6b13-4f99-8647-78b4b758e48c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule Cn1c(SCC(=O)[O-])nnc1-c1ccccc1C(F)(F)F with a hydroxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cn1c(SCC(=O)[O-])nnc1-c1ccccc1C(F)(F)F",
    "ref_smiles": "Cn1c(SCC(=O)[O-])nnc1-c1ccccc1C(O)(F)F",
    "add_group": "hydroxyl",
    "remove_group": "halo"
  },
  {
    "id": "09673200-c9f5-4cc0-9b27-050a4d7fdb39",
    "task": "sub",
    "question": "Modify the molecule OC(Cn1cncn1)(Cn1ccc2cc(Br)ccc21)c1ccc(Cl)cc1Cl by substituting a hydroxyl with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "OC(Cn1cncn1)(Cn1ccc2cc(Br)ccc21)c1ccc(Cl)cc1Cl",
    "ref_smiles": "SC(Cn1cncn1)(Cn1ccc2cc(Br)ccc21)c1ccc(Cl)cc1Cl",
    "add_group": "thiol",
    "remove_group": "hydroxyl"
  },
  {
    "id": "167becc6-211f-44a4-b48f-c74e1b5a6fe2",
    "task": "sub",
    "question": "Modify the molecule CCC(C)C(NC(C)=O)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)(CC)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)[O-])NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC1=O by substituting a hydroxyl with a nitrile.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)C(NC(C)=O)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)(CC)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)[O-])NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC1=O",
    "ref_smiles": "CCC(C)C(NC(C)=O)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)C#N)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)(CC)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)[O-])NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC1=O",
    "add_group": "nitrile",
    "remove_group": "hydroxyl"
  },
  {
    "id": "68bd2735-9a96-4198-9258-e7019256a931",
    "task": "sub",
    "question": "Please substitute a halo in the molecule O=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2ccc(F)c(F)c2)C1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2ccc(F)c(F)c2)C1",
    "ref_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2ccccc2)C1",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "5959627a-194b-4a30-9404-6e95b471d66a",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(Br)C(=O)NCc1ccc(Cl)s1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(Br)C(=O)NCc1ccc(Cl)s1",
    "ref_smiles": "CC(=O)C(CC)C(=O)NCc1ccc(Cl)s1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "cc40c520-ad3a-4567-94c8-1eaa85cb359c",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1 with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1",
    "ref_smiles": "COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1",
    "add_group": "nitro",
    "remove_group": "hydroxyl"
  },
  {
    "id": "bd07426a-61df-4f43-b61c-b68a0b0cdbff",
    "task": "sub",
    "question": "Please substitute a nitrile in the molecule CC(=O)C(C#N)S(C)(=O)=O with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(=O)C(C#N)S(C)(=O)=O",
    "ref_smiles": "CC(=O)C(C(C)=O)S(C)(=O)=O",
    "add_group": "aldehyde",
    "remove_group": "nitrile"
  },
  {
    "id": "fcd02df4-ae36-4e99-875d-7c2b72112777",
    "task": "sub",
    "question": "Modify the molecule CCCC(O)Cn1ccnc1C by substituting a hydroxyl with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCC(O)Cn1ccnc1C",
    "ref_smiles": "CCCC(Cn1ccnc1C)C(=O)O",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "1ea49471-bcf7-43cb-81a9-fcccdb580ae3",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule CC(C)c1cc(Br)cc2cc(C(O)C(C)C)oc12 with a carboxyl.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CC(C)c1cc(Br)cc2cc(C(O)C(C)C)oc12",
    "ref_smiles": "CC(C)c1cc(Br)cc2cc(C(C(=O)O)C(C)C)oc12",
    "add_group": "carboxyl",
    "remove_group": "hydroxyl"
  },
  {
    "id": "d891a1c3-99b4-4b9e-a46c-7bd949535a81",
    "task": "sub",
    "question": "Modify the molecule CCCCOCCC[NH2+]CCCOCC(F)(F)F by substituting a halo with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCCCOCCC[NH2+]CCCOCC(F)(F)F",
    "ref_smiles": "CCCCOCCC[NH2+]CCCOCC(F)(F)NO",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "632461c2-5d6b-47b5-a352-a42be038703c",
    "task": "sub",
    "question": "Modify the molecule C[NH2+]CCC1(c2ccc(Br)cc2)OCCO1 by substituting a halo with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "C[NH2+]CCC1(c2ccc(Br)cc2)OCCO1",
    "ref_smiles": "CC(=O)c1ccc(C2(CC[NH2+]C)OCCO2)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  },
  {
    "id": "960d6f62-4007-4ef0-a72f-8f7e2e4692a9",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(C)c(F)c3)CC2)c1C with a nitro.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(C)c(F)c3)CC2)c1C",
    "ref_smiles": "CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(C)c(NO)c3)CC2)c1C",
    "add_group": "nitro",
    "remove_group": "halo"
  },
  {
    "id": "cefad4f8-213e-4f9e-a569-a90e2f06fa11",
    "task": "sub",
    "question": "Modify the molecule O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c1 by substituting a hydroxyl with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c1",
    "ref_smiles": "O=C(OC1Cc2c(Br)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)c1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "63ba2cab-b1aa-4982-860d-82df2e39886c",
    "task": "sub",
    "question": "Please substitute a halo in the molecule NC(=S)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1 with a thiol.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "NC(=S)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1",
    "ref_smiles": "NC(=S)c1ccc(S(=O)(=O)Nc2ccc(S)cc2)s1",
    "add_group": "thiol",
    "remove_group": "halo"
  },
  {
    "id": "4bbb97c6-2486-4224-80cb-1656e7902482",
    "task": "sub",
    "question": "Please substitute a hydroxyl in the molecule Cc1cccc(C)c1NC(=O)C(c1cccc(O)c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1CCC1 with a halo.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "Cc1cccc(C)c1NC(=O)C(c1cccc(O)c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1CCC1",
    "ref_smiles": "Cc1cccc(C)c1NC(=O)C(c1cccc(Cl)c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1CCC1",
    "add_group": "halo",
    "remove_group": "hydroxyl"
  },
  {
    "id": "2c2040d8-0745-4927-abc5-133e46b347e0",
    "task": "sub",
    "question": "Please substitute a halo in the molecule CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2F)cc1 with a aldehyde.\nPlease wrap the final SMILES in <smiles>...</smiles>.",
    "src_smiles": "CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2F)cc1",
    "ref_smiles": "CC(=O)c1ccc(N2C(=O)C(CC(=O)Nc3ccc(OCC)cc3)N(Cc3ccccc3F)C2=S)cc1",
    "add_group": "aldehyde",
    "remove_group": "halo"
  }
]