[ { "instruction": "Please add a amide to the molecule CC(C)(CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1)NS(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101639", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(COc1cccc(I)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224282", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3ccccc3)sc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222794", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cnc(S(=O)(=O)Cc2noc3c2CCCC3)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45537", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6906", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(c1cccc(O)c1)N1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132678", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nnc2n1CCC[C@H]2NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35178", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1coc(-c2cccc(NC(=O)C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102437", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180042", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CSCC[C@H]1[NH+]=C(c2ccccc2)N(C2CC2)C1=[NH2+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144193", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[NH2+][C@H](CC)c1ccccc1OCc1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56939", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCCC(=O)N1CCO[C@H](C(N)=S)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105820", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCCN/C([O-])=C(\\C#N)C(=O)Cn1c(=O)n(CC)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222213", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H](NCCc1nc2c(F)cccc2n1C)c1ccc(F)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227562", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2-c2ccccc2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79183", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1n[nH]c(COc2ccccc2)c1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33778", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S[C@@H](C)CC by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141553", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CCN(Cc2cncs2)CC(F)(F)F)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211941", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135463", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC[NH+](CCC)CC(=O)Nc1ccc(C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83309", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule NC(=O)COc1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79088", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)CC2CCCC2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228434", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1nc(C(C)C)cc1C(=O)N1CSC[C@H]1C(=O)[O-] by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206143", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOC(=O)C(=O)NC[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145187", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(CS(=O)(=O)Cc2cc(=O)n3cccc(C)c3n2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66687", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(c1ccnc(OC2CCC2)c1)N1CCOc2cc(F)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41737", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)ccc1OC(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74084", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25315", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CCS(=O)(=O)N1CCC(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242609", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2oc1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241907", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Brc1cc(-c2ccccc2)c(C2CC2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152956", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1nc2sccc2c(=O)n1NC(=O)c1cccc2ncccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123020", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202776", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106040", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147646", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[NH+](C)CCNc1cc(-c2ccc3ncnc(N)c3c2)c2cc[nH]c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199779", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78569", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(C)=O)cc1NC(=O)CCC1CCCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79988", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CO[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104536", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(CC(=O)NCC#CCOc2cccc3ccccc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177480", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ncsc1CCS(=O)(=O)c1nccn1-c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91943", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85559", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223596", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(c1nc(Cl)ncc1F)C1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94153", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176341", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137172", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35201", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule [NH3+][C@H]1CCC[C@@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31986", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45656", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+]1CCN(CCNC(=O)c2sc(-n3cccc3)nc2C(C)C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171261", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](c1ccccc1)C1CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76256", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1cccc(F)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209948", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(O[C@H](C)C(=O)Nc2cnn(C)c2)ccc1C(C)C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135184", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)c1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171049", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(c1ccc2[nH]cnc2c1)N1CCn2c1nc1ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145151", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(/C=C/C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169661", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NCCc1ccccn1)Nc1nccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146572", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1c(=O)n(CC(=O)Nc2ncc(C)s2)c2ccccc21 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239467", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1n[nH]c(C(=O)N(C)CC(=O)[O-])n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16973", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NCc1cccc(N(C)C)[nH+]1)c1ccc(S(=O)(=O)N(C)C)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21642", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CSC[C@H](C)N(C)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115574", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCOC(=O)c1cccc(-n2nnc3c(sc4nc(C)cc(COC)c43)c2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173196", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCC(=O)/N=c1\\sc2cc(OC)ccc2n1CCSC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59020", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(N(C)C(=O)c2ccc(F)cc2O)ccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192067", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24258", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(C(=O)Nc2ccc3c(c2)C(=[N+]2CCOCC2)Nc2cc(Cl)ccc2O3)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191561", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(OCCNC(=O)NCCc2cccc(O)c2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142648", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49104", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)Nc1nnc(C2CC2)s1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237523", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CCN(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(C)cc(C)c2[nH]c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15671", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cccc(OC[C@@H](O)CN2CCN(Cc3[nH+]ccn3C)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187296", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C(=O)NC2CC[NH+](Cc3cnc4cnccn34)CC2)c(C)o1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186833", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOC(=O)N/N=C(\\C)c1cccc(NC(=O)C2CCCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229818", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3225", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193803", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236109", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CN(C[C@H](O)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81826", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCc1nc(CO/N=C(/N)c2cccs2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11924", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH+]1CCCC[C@H]1CCn1cnc2ccccc2c1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143232", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1OCC[C@H]1N1CCC(C(=O)N2CCCCC2)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191277", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(CCc1nc(-c2ccncc2)no1)N[C@@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111356", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173100", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccn2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233647", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc2c(c(=O)n1CC[NH+](C)C)[C@@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23416", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(C)(=O)=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160633", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169706", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65337", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)N1CCC[NH+](Cc2ccccn2)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29726", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86202", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCOC(=O)c1sc(NC(=O)c2cc3ccc(OC)cc3[nH]2)nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58015", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1ccc2c(c1)OCO2)N1CCC(n2cccc2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24185", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1c(C(=O)N2CCC[C@]3(CC=CCC3)C2)cnn1-c1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128137", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23148", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Nc1cc(-n2ccnc2)ncn1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97646", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191090", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(N2CC[C@H](NC(=O)N3CCC([C@H](C)O)CC3)C2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13006", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCN(CC(C)(C)O)C(=O)Nc1cccc([C@H](C)[NH3+])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155850", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COCC[NH+]1CCCN(C(=O)c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17685", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H]1CCC[C@@](Cc2ccccn2)(C(=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194509", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)cc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223807", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CC[NH+](C)C)C3=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89147", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1noc(-c2ccnc(N[C@H](C)Cc3c(C)noc3C)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71231", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCOc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166765", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NCc1ccc(F)cc1)Nc1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142243", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH+](C1CCCC1)[C@H]1CCCC(C)(C)[C@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54852", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccccc1C[C@@H](C)NC(=O)CN(C)CC#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78235", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccccc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23312", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221252", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)C(C)(C)c2cccc(Cl)c2)cc1C(=O)N(C)C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83808", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(c1c[nH]c2ncccc12)N1CCN([C@@H]2CCCC[C@H]2O)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140638", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CO[C@@H](C)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58880", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151721", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=c1cc(CSCc2coc(-c3ccc(F)cc3)n2)nc2sccn12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223249", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85182", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OC(C)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237439", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCC[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208543", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133028", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)CO[C@@H](C)c1noc(C[NH+](C)[C@@H]2CCS(=O)(=O)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196390", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[NH2+][C@@H](C)c1ccccc1O[C@H](C)C(=O)N(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64473", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(C[C@@H]1OCCc2ccsc21)N1CCN(CCO)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153410", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75603", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C([O-])COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1n[nH]c2ncc(NC(=O)NCc3ccnc(OCC4CC4)c3)cc12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45610", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccnc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46850", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOc1ccc([C@@H]([NH3+])c2cc(F)cc(F)c2)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189993", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)OC(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107420", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(F)cc1NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84529", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](O)C[NH+](Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239921", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)[C@H]1C[C@@](O)(Cc2nc3ccccc3s2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214658", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc2nc(/C(C#N)=C/C=C/c3ccccc3)[nH]c2cc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54349", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)[C@H](C)N(C)CC1=Cc2ccccc2OC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93660", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc([N+](=O)[O-])s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117467", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(-c2ncn[nH]2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144088", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)NC(=O)N(CC(=O)NCCc2cn3ccccc3[nH+]2)C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22085", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170908", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc(F)cc1NC(=O)Nc1cnn(CCO)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22940", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(/C=C\\c1cccs1)Nc1ccc(-c2cc[nH]n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122184", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)NC(=O)[C@H](C)Sc1c(Cl)cccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175955", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC[NH+]1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221778", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1cc(N2CC[C@@H](Nc3ccc(CO)cc3)C2=O)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96328", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191117", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219807", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189338", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOC(=O)NCCC(=O)N1CCC[C@H]2CCCC[C@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57571", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c(O)c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153800", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96324", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1cc(-c2nc(CN3CCCC4(C3)OCCO4)no2)cs1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113751", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1ncc2c(N3CCCC3)nc(N3CCN(c4ccccc4)CC3)nc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73638", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Br)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201027", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1CC(C)(C)C(=O)NC[C@@H](C)c1cccs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185648", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCC[NH2+][C@H](C1C[C@@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231090", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nc2ccccc2nc1S[C@H](C(N)=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156385", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167481", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NC[C@H]1CCN(c2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69193", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C2OCCO2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176264", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CNC(=O)c1ccc(CN(C)C(=O)c2ccncc2F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64017", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)Sc1ccc(NC(=O)NCC2(O)CCCCCC2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4248", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCOC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224666", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule N#Cc1ccc(Sc2nnc3ccccn23)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11338", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(NC(=O)C(=O)N[C@H](C)CCC2CCCC2)c2ncccc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215716", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCCOc1ccccc1C(=O)N1C[C@@H]([NH+](C)C)[C@H](c2ccc(OC)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77155", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC1CCCCC1)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15794", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule N/C(CCCCNC(=O)N[C@@H]1CCOC1)=N/O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109215", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule NC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248005", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "532", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1=C[C@@H](C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3=O)C2)N=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162903", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CCCN2C(N)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72034", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC(=O)N1CCC2(CC1)OCCO2)c1ccc2ccccc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242115", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37944", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=S(=O)(C[C@H](Br)C(F)(F)F)c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208396", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc(/C(C)=N\\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148108", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67926", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(C)n1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14814", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NCc1cn2ccsc2n1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102172", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@@H]1CCCO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183683", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)CN(C(C)C)S(=O)(=O)c1cc(N)c(Cl)cc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177400", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(OC(F)F)c(NC(=O)c2cc3ccccc3oc2=O)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228852", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOCc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212440", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@](C)([NH3+])c1nc(C)c(-c2ccco2)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100430", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179009", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(C(C)(C)CNC(=O)/C=C/c2cncc(C(=O)NC)c2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113873", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90881", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1cc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99974", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCS(=O)(=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228407", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57048", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113382", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1c(C(=O)NCC2(C)CCCC2)cnn1-c1ccc([O-])nn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48340", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2cc(NC=C(C#N)C#N)ccc2n1-c1ccccc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139169", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1c(C(=O)CSc2nc3ncccn3n2)sc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76637", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=C(C)C[C@@H]([NH2+]CC)c1ccc(OC)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151957", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(=O)c1cnc(NC[C@@H]2OCCc3ccccc32)nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106266", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146018", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1CC[C@H]1CCCN(c2nccs2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242690", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(F)cccc1NC(=O)N(C)C1CCCCCC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87744", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@H](NC(=O)N1CCC(c2ccn[nH]2)CC1)[C@@H]1COc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185729", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168926", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73144", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[NH+]1CCN(CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9220", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2noc(-c3ccccc3)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229760", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175482", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CSc1ccnc(-c2nc([O-])c3cc(F)c(F)cc3n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212481", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(Cn2c([O-])c(C(N)=O)c3snnc3c2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49796", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCCC3)C[C@@H](CO)C2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31495", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC1(C)C[C@@H]([NH2+]Cc2cccc3c2OCO3)C(C)(C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193395", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(CNCc2ncc(-c3ccccc3)s2)c(F)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169056", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C#N)[C@@H](C)CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28230", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCSC[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85799", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1760", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99306", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cccc1C(=O)C(=O)NCc1ccco1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188090", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC=CCC2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43260", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)c1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100838", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]CCn1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)nn1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53848", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)Cc1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192097", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)CCCC2)N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8783", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[C@@H]1CN(C(=O)c2ccc(CC)o2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148068", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)C[NH2+]Cc1ncnn1[C@H]1CCOC2(CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117356", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)C[NH+]1CCN(CCc2nc(-c3ccccc3)no2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96532", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28864", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159290", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1cccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+](C)Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110757", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCC[C@H]1CN(C)Cc1nnsc1NC by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61784", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cccc(C(=O)NCCc2csc(C(C)C)n2)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22587", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143137", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COCc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56110", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cnc(Cl)nc1Sc1nc(N)cc(=O)[nH]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78108", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)OCC(C)C)n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40788", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)N(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126129", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119071", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C=C1c2ccccc2C=Cc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49821", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCN[C@@]1(C(=O)OC)CC[C@@H]([NH+]2CCC(OC)CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95909", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(OCc2ccccc2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29006", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCc1nn2c(=O)cc(COC(=O)CSc3ccc(C)cc3)nc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247135", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37312", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule NC(=O)c1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161004", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(NC(=O)[C@@H](C)Sc2ccccn2)sc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76351", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CC[C@](O)(Cc2nc(-c3ccccc3)cs2)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27571", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)CNC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187824", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)[C@H](C[NH3+])Nc1ncc(Cl)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69049", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=CCOc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166369", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COCCN(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143901", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156003", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3Cl)coc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185892", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H]1CC=CC[C@H]1COC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12672", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CN1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101113", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15765", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24862", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccccc2F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86395", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCSc1cncc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194270", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108823", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2C(C)C)cc1OC by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42375", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171550", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CN(C(=O)c1ccc[nH]c1=O)[C@@H]1CCc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193661", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "877", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule [NH3+]C1CCN(Cc2cc(Cl)ccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181062", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H]1C[NH+](CCC(=O)NC(C)C)CCS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111372", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCc1cccc(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175186", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@@H]1C[NH+](CCCCCO)C[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165209", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N[C@@H]1CCc2cc(F)ccc21)c1cnc([C@@H]2CCCO2)s1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153754", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH+](C)CCNS(=O)(=O)C1=CN=C([C@H]2NN[C@H](c3ccc(F)cc3)O2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247165", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccccc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70918", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246002", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H]1N=N[C@H](NC(=O)CSC2[NH+]=c3ccccc3=[NH+]2)S1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26167", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)CNC(=O)C1([NH2+]CCn2cccn2)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82181", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccc(S(C)(=O)=O)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171855", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS[C@H]1CCCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51464", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54736", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1Br by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172207", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)oc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50094", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51096", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSCc1nc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177027", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122626", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)nc(N2CCC[C@H]([NH3+])C2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240756", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137862", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1C[C@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185395", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Oc1ccc2nccnc2c1)c1ccccc1-n1cccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187407", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1ncc(N2CC[C@@H](CNC(=O)c3c[nH]c(-c4ccccc4)n3)C2)cc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199075", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccc(F)cc3F)nn1C)CS2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25743", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2ncc(C(=O)Nc3cc(OC)ccc3F)s2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9585", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(NC(=O)N(C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240042", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231868", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91876", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246683", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NC1CCCC1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149316", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc2sc(NC(=O)CN(C)c3nc4ccccc4s3)nc12 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150691", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ncc(S(=O)(=O)Nc2[nH]nc(C)c2C)s1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124624", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[NH2+]Cc1ccccc1OCc1cccc(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117868", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](C)OC[C@@H]3C)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203210", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)nc(N/C(=[NH+]\\C(=O)NC23CC4CC(CC(C4)C2)C3)N2CCN(c3cccc[nH+]3)CC2)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136427", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(SCC[NH+]2CCC(CS(N)(=O)=O)CC2)cc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204735", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247404", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "963", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cn2c(CN(C)C(=O)CO[C@@H]3CCCC[C@@H]3C)c(C)nc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169088", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199378", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCN(C[C@H]1CCOC1)C(=O)NCCCc1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142246", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127240", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(CCC(=O)c1ccccc1)NC[C@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127021", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1nnc(/N=C(\\[O-])[C@H](C)[NH+]2CCc3ccccc3C2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105682", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H](C)OC(=O)c1ncoc1C(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67145", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccccc1C(F)(F)F by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134902", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc2[nH+]c3c(n2c1)[C@H](c1ccc(O)cc1Cl)CC(=O)NC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126124", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1CCCc2cc(NC(=O)NCC(C)(C)c3ccncc3)ccc21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171095", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cnc[nH]2)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37608", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2csc(CN3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)n2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67563", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCN(CC)c1cc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc(-c2cnccn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59821", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H]1OCC[C@H]1C(=O)Nc1ccsc1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196247", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1ccccn1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70144", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98237", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(C)[C@@](C)(C#N)NC(=O)CN1CCCSc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206468", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(CCn1cnnn1)N1CCCN(c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192933", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1CCCC[NH+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176700", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34243", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1ccccc1NC(=O)/C(C#N)=C\\c1ccc(F)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175288", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Br)CC3)N=N2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10636", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(C)NS(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224724", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(/C=N/N=C2\\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cnn1C by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170318", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCNC(=O)NC(=O)C[NH+](C)CCOc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248586", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)CC1(C(=O)N(C)[C@H](C)CC[NH3+])CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196170", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CN(c2nc3ccc(F)cn3n2)CC[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228837", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1cc(C(N)=[NH2+])ccc1OCc1nc(C)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148455", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211619", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N=C1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116263", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN1C(=O)NC(=O)[C@@]12CCC[NH2+]C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188091", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12710", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CNc1cc(Br)cc(F)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16849", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC(CC)(NC(=O)N(C)C1CC[NH2+]CC1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221136", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173424", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76932", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCC[NH2+][C@@H](C)c1ccnc(N(C)[C@@H]2CCSC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37295", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Cn1nnnc1C1C(C)(C)C1(C)C)C(=O)[O-] by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186309", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc([C@@H]2CCCCCN2S(C)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92822", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH2+]Cc1ccccc1S(=O)(=O)NC1C(C)(C)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193211", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=[S@@](Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52423", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42722", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N(C)C)cccc3[C@H]3C=CC[C@H]32)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51118", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1cn(C2CC2)c(=O)n(Cc2ncc(-c3cccs3)o2)c1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197850", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@]([NH3+])(CCCSC1COC1)C(N)=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168548", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34400", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1cccc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111568", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244024", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](CCl)CS(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107761", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5nonc45)C3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64808", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1cccc(OCC(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136346", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H](Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1Cl)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139884", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82810", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Cc1cccs1)N(C)c1ncc(C(=O)[O-])s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106706", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCCCN1CC(=O)N2[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3[NH+]=c4ccccc4=C3C[C@@H]2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93876", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217883", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240079", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C)cc(OC[C@@H]2N=[NH+]C(=S)N2NC(=O)Cc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82973", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH+](C)C[C@@H]1CCN(Cc2c(C)nn(C)c2OC)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146448", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)(C)CC(=O)N1CCC([NH2+]C[C@](C)(O)CN2CCOCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201489", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1-n1c(C)ccc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69041", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)N(C)c1cccc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135194", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cccc(C)c1C(=O)NCC(C)(C)c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133460", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](c1nc(=O)c2ccccc2[nH]1)[NH+]1CCN(c2ncccn2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22932", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@@H](CO)NC(=O)Nc1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136438", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NCCC1=CCCCC1)[C@@H]1CCCC2=c3ccccc3=[NH+][C@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134299", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cccc(NCc2ncc(-c3ccccc3)o2)c1)N1CCOCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89295", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCOC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16830", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1O[C@H](C)CNC(=O)NC[C@@H]1CCC[C@H](O)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82695", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc2ccc(C[NH+]3C[C@@H]4CC[C@@](O)(c5ccc(C)cn5)[C@H]4C3)nc12 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81035", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)sc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220639", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77875", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCCn1c(C)nn(CN2CCN(CC(F)(F)C(F)F)CC2)c1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154032", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)NC(=O)Nc1ccccc1Br by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9361", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc([C@@H](C)[S@](=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88805", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133396", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1=C(C(=O)Nc2ccccc2)[C@H](c2c(C)cc(C)cc2C)NC(=O)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181421", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182092", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140448", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222280", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(C[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1)OC by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101628", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(Br)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172996", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47301", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67338", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2c(=O)[nH]n(C)c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33837", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H]1C[C@H](NC(=O)COc2ccccc2C#N)CN1c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32995", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(=O)N(CC2CC2)C(C)C)c(NN)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184388", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule NNc1ncc(Br)cc1C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59741", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccccc1-n1c(-c2ccc(F)cc2)coc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223922", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C)cc(Oc2ccc(NC(=O)N(C)CCC#N)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190963", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110500", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\\c1cccc(NC(=O)C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96348", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(C[NH+]1CC[C@H](c2cc[nH]n2)C1)N1CCCC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188441", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154342", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25058", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNc1nc(CNc2cc(C)[nH+]c3ccc(F)cc23)cs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31562", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCCC[NH+]1CCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114773", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104842", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230230", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(F)c(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131697", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccc(NC2CCCC2)c1)c1ncncc1Cl by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168717", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=S(=O)([O-])c1cccc(/N=N\\c2ccc3c(O)cccc3c2O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112880", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(Cn2nccc2NC(=O)COc2ccc(Br)cc2C=O)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171768", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)c1cncc(-c2sccc2C(=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223135", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([C@H]1SCCc2ccccc21)N1CCSc2ncccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85631", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])c1cc(N2CC[NH2+]CC2)[nH+]c2ccccc12 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183250", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C1C[C@@H](C(=O)N2CC[C@@H](Nc3ccccc3)C2)CN1CC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195938", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C(C)(C)C by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50999", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1cc(OC)c(NC(=O)[C@@H]2CS[C@]3(c4cccs4)CCC(=O)N23)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160833", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COCCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87066", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(-c2ncon2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179345", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCc2ccccc2C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57970", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12284", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CO[C@@]1(C)C[C@H](OC(=O)c2cnc3c(C)cccn3c2=O)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202553", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1nc(CNC(=O)NCC2(Sc3ccccc3)CC2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74576", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70585", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128378", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@@H]1C[C@@H](C(=O)[O-])[C@@H](c2cccc(F)c2F)[NH+]1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91216", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1[nH]c2ccccc2c1CC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200670", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCn1cc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65571", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)Cc1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219819", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc(=O)[nH]c(SCCOc2cccc(C(F)(F)F)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238196", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1cnc2c(c1)[nH]c(=S)n2[C@H](C)Cc1ccc(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218613", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1ccc(C2=NC(=O)[C@H]3SC(=S)N(C)C3=N2)cc1OCC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176159", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69250", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C([C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1)N1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233141", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177894", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1nc2ccc(C(=O)N(C3CC3)[C@@H]3CC([O-])=NC3=O)cc2nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83833", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CNc1cc[nH+]c(N(C)Cc2ccc(C[NH+](C)C)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129431", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)CNC(=O)NC1CCCCC1)c1cc(C)ccc1C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36262", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cc(OC)c(-c2cnc(CNN(C)C)s2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32329", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@]12CCC[C@@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@@H]32 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141741", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)Nc2ccc(Cl)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227859", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNC(=S)NN=C1CCC(C(C)(C)C)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184142", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117541", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32515", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](n2cc[nH+]c2C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75370", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(N2CCN(c3ncnc4c5cc(OC)ccc5n(C)c34)C[C@H]2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73455", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)(C)C[C@@](C)(O)C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148012", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[NH+](CC)c1ccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45497", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule C[NH+](C)[C@@H]1CC[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35552", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOc1ccccc1NC(=O)Nc1nnc(Cc2ccccc2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202495", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN1C[C@H](c2cc(=O)n3nc(-c4cccc(Cl)c4)cc3[nH]2)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234899", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCn1nc(COc2ccc(C=O)nc2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217294", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1CCC(C[NH3+])([C@@](C)(O)c2ccc(F)cc2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33413", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cl[C@@H](CNc1ccc2nnnn2n1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218758", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(C[NH+]2CCC[C@@H](C(=O)NN)C2)ccc1OC(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29628", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)ccc21 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164782", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCc2cc(C)ccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106404", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(C(C)(C)C)cs4)nnc12)OCCO3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241831", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136392", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule FC(F)(F)c1ccc2c(n1)CCN(Cc1ccccc1)C2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127234", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCNc1ccc(C#N)c([N+](=O)[O-])c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172201", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(c1ccccc1I)N1CCC[C@H]2CCCC[C@@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56991", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCc1cc(NC(=O)[C@H](C)CCC)n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37865", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(C(=O)NC[C@H](C)Oc2ccccc2C)s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148541", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(C#N)c1)OCCO3 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187292", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCOc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188102", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCCCC2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236067", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule c1ccc([C@@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196350", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2nc(C(=O)NCC[C@H](O)c3ccccc3)ccc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224255", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58744", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)CSCCC[NH+](C)[C@@H]1CCSC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133027", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213656", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ccc(OCC(=O)Nc2c(F)cc(F)cc2F)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238606", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCC2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212961", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H]1C[C@@H]([NH3+])CN(c2[nH+]c3ccccc3n2C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98713", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1nn(C)c(Cl)c1S(=O)(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32272", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2F)[C@@H]1c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234534", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(C#N)ccc1S(=O)(=O)NCCc1cn2cccc(C)c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114232", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1csc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205952", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CNC(=O)CN(C)C(=O)c1ccc(C#N)c(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99165", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113797", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196182", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(COc1ccc(Br)cc1)N1CCOC[C@@H]1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139640", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN(C)Cc2c(C)noc2C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54520", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCO[C@H](F)C(=O)OCC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131969", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule O=C(Nc1cccnc1Cl)c1cc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122625", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cccc(C[NH+](C)C[C@]2(C(=O)[O-])CCC[C@H](C)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28079", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(O)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224491", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Fc1cccc(C/[NH+]=C2\\NC[C@@H](c3ccccc3)S2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49868", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCC[C@@H](NC(=O)C=C1CCSCC1)c1ccccc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236801", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77163", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=[N+]([O-])c1cccc(Cn2nnc(-c3ccccc3)n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236201", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCc1nc2sc([C@H](c3cccc(OC)c3)N3CC[NH+](Cc4ccccc4)CC3)c(O)n2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131017", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225868", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCCOc1ccc(CNC(=O)c2cn(C)nc2CC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70569", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)n1cc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181707", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1C#N by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198781", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H]1CCCN(C(=O)/C=C/c2ccc(NC(C)=O)cc2)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27550", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](O)CC(=O)N/N=C1\\C(=O)N(CC[NH+]2CCCCC2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215161", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2c(C)cccc2CC)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55322", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156353", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc2[nH]ncc2c1)c1ccc([N+](=O)[O-])cc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222765", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)CC[C@H](CNC(=O)N[C@H]2CCOC2)c2ccccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2849", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2)CS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42182", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Br)cc1[C@H]([NH3+])c1ccc(Br)o1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200860", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68558", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H]1CN(c2ccc(N[C@H](C(N)=O)c3ccccc3)cc2F)C[C@@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229074", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1CCN(C(=O)Nc2cccc3ccccc23)[C@@H](c2ccccc2)C1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93924", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cccc(C)c1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166503", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC[NH+](CCC(C)C)CC1CC[NH2+]CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32179", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(N[C@@H](C)[C@H](C)O)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43695", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CN1CCN(Cc2ccccn2)CC1)Nc1nc(-c2ccco2)cs1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39647", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1ccc(Br)cc1)C(=O)[C@@H](O)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118871", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=CCC[C@H](C)OC(=O)/C=C/c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248148", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(C(=O)N(C)Cc2cc(C)on2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84398", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166945", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH+]1Cc1cncs1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104559", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242930", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC[C@@H](O)CN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162484", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOc1ccccc1[C@@H]1C[C@@H]1[C@@H](C)O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93078", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)Cc2cccc(Cl)c2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1186", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[NH2+][C@H](CN1CCOCC1=O)c1ccc(C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60286", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11940", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC[C@H](C)Sc1ccc(NC(=O)N(C)CC[NH+](C)C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102096", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCCCN(C)C(=O)[C@@](C)(N)C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200823", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1CCC(=O)N1C(=O)C(F)(F)F by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171536", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)cc1)c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60259", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248484", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139530", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)no1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204942", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#CCN(CC#C)CC(=O)N[C@@H](C)C(=O)N(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213257", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cccc(C)c1NC(=O)CSCc1ccon1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160125", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C=CCNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243012", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)/C=C(/C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32777", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nnc(NCCCc2c(C)noc2C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233584", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CC=CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177523", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(CCSC1=[NH+]CCN1)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177568", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc(C(=O)NCC(=O)NCCc2ccc(F)cc2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32212", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(NC[C@H](O)c2c(F)cccc2F)c(C(F)(F)F)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163767", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(/C=C2\\SC(=O)N(CCNC(=O)c3ccc(C)s3)C2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115459", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1cc(C[NH+](CCO)Cc2cccnc2)c(Br)cc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60203", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CCC(C)C)c(C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79150", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)C1CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142414", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(NC(=O)C[NH+](C)[C@H](C)C(=O)Nc2ccccc2C#N)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104910", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152379", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CNc1snc(C)c1-c1nnc2cc(C)ncn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86611", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CN(C(=O)/C=C/c1ccnc(Cl)c1)c1cccc2ncccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(CC(C)=O)cc(OC)c1OC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174677", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N1CC(C(=O)[O-])C1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9082", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](c1cccc2ccccc12)N(C)CC(C)(C)C[NH3+] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149043", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+](CC(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1)C1CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45165", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCOc1cc(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc(Cl)c1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174465", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206039", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCc2c(sc3c2C(O)=N[C@H](/C=C\\c2ccc([N+](=O)[O-])cc2)N3)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181483", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155887", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185298", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)nc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202174", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCc1ncc(S(=O)(=O)N2CCCCC[C@H]2CC(C)=O)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224986", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(CCNC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235152", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccs2)C2CC2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64015", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33550", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171508", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCn1cc(/C=C2/Oc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)C2=O)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79230", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1-n1cccn1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60482", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)[C@@H]1CC(C)(C)C(=O)N1C(=O)OC(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77980", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1c(NC(=O)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53946", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244425", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCc1c(C)nn(CCNC(=O)c2cn[nH]n2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118482", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH+](CCNS(C)(=O)=O)C1CCC(c2ccc(O)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199065", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102659", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC[C@@H](C)c1nc(Cl)nn1-c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120645", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150758", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@H](C)c1cc(F)ccc1O[C@H](C)C(=O)NC1CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31996", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)C1=CC(=O)CCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121671", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=C(C)C[C@@H]([NH2+]CC)c1ccc(F)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6949", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc(O)cc1)[C@H]1CC=CC[C@H]1C(=O)[O-] by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240526", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS[C@@H](C)c1cccc(NC(=O)c2cn(C)nc2-c2ccccc2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175582", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH+](C1CC1)[C@H]1CCC[C@@H]1C#N by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129750", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccnc(-c2n[nH]c(CO)n2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242308", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)=C(CCNS(=O)(=O)c1cc(C)c(OC)cc1C)[C@H](C)[NH+]=2 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166233", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ccc(C(=O)NCc2cnn(C)c2N)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175184", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(O[C@H](C)CNC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191918", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule NS(=O)(=O)c1ccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225615", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C/C(=C/CCCl)c1ccc(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67891", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)C(=O)N[C@@H]1CCC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27119", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@H]1c1ccncc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183960", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Fc1ccc(Nc2ccnc(Cl)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58779", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H]([NH2+]CC1CCC(C(=O)[O-])CC1)c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239772", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81308", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nnc(NC(=O)C(C)(C)Nc2ccc([N+](=O)[O-])cc2)s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150033", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC/C(=C/C(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-])N(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77472", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([C@H]1COc2ccccc2O1)N1CCC(Cn2ccc3cccnc32)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20839", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Oc2cc(F)cc(F)c2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1363", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc([C@H](NC(=O)N2C[C@H]3CC=CC[C@H]3C2)C2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80627", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157102", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COC(=O)c1sccc1NC(=O)C[NH+](C)[C@H](C)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8146", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCN1c2ccccc2C2=C([C@@H](c3cccc(F)c3)C(C#N)=C(N)O2)S1(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172323", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(C(=O)OCc2nncn2C2CC2)cc1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71335", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCC[C@@H](n2c([C@@H](C)Cl)nc3cnccc32)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211063", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(C[C@]2(c3ccc(C)cc3)NC(N)=NC2=O)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45629", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule [NH3+][C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45149", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc(C(C)(C)O)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245925", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C(=N\\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10016", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(CN(C)C(=O)C[NH2+]C(C)C)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7213", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COC1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123318", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82310", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70137", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)N(CC(=O)[O-])C(=O)C[C@@H]1CCCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80269", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])CNC(=O)NCc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244166", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Cl)s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1063", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccc1Cl by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208656", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206552", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Nc2nn[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94083", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)CC[NH+]1CCc2ccccc2C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248777", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(CC[NH3+])CCC(=O)NC[C@@]1(C)CCCO1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75041", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CSc1ccc(Cl)c(C(=O)NCc2ccc3c(c2)=C2CCCC[C@H]2[NH+]=3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143399", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243687", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nc(C(=O)Nc2cc(NC(C)=O)ccc2F)n[nH]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37476", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C=CCOc1ccccc1/C=C/C[NH2+]CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62923", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Nc1nc(CSc2ncc(Cl)cc2Cl)nc(Nc2ccccc2)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168568", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1(C)CCC[C@]1(O)[C@@H]1CCO[C@]2(CCSC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206834", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)ccc1N(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240380", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CCc1cccc(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90045", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62842", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule O[C@@H](Cc1ccc(F)cc1)[C@@H]1CCO[C@]2(CCOC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218075", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccn2c(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cnc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109715", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=CCn1nns/c1=N/CC(=O)Nc1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96302", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@@H](O)[C@H](O)C1=N[C@H]2C(=O)N=C([NH-])NC2=[NH+]C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193593", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCCCNC(=O)[C@H](C)Oc1ccc(C#N)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22577", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(Cc4ccccc4)CC3)=C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22590", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)[C@@H](C)Sc1nc(C)c(C(C)=O)cc1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116153", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Cc1ccc(CCC(=O)OC[C@@H]2CCCN2C(N)=O)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163480", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(CNC(=O)CSCc2nsnc2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53191", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]1CCC[NH+]([C@@H]2CCC[C@H](O)C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157791", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCc2ccccc2C1)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5277", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Nc1cc(F)ccc1-c1nc2cc(Cl)ccc2[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168472", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@@H](NC(=O)CN1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107925", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2sc(-n3nc(C)c(Cl)c3C)nc2C)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101033", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc3c(cc21)OCCO3 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109476", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C(F)(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6934", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c(N2C[C@H](C(=O)N(C)C)CC2=O)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115579", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cn1ncc2c1N=C(O)C[C@H]2c1cc(Cl)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28409", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1oc(-c2cccs2)nc1C[NH+](C)CC(=O)[O-] by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38199", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@@H]1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13322", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(C)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103051", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@@H]1CCC[C@@H]1c1cscc1Br by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196060", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule NS(=O)(=O)c1cscc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50013", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccs1)N(C)C2=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105714", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1noc(CC)c1CNC(=O)Nc1cccc(-n2nnnc2C)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39029", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1Cl by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65843", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20095", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COC(=O)C1=C(NC(=O)c2ccc(OC)cc2)CCS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202547", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc(C[NH+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1OC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82781", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCC4)CC(=O)N23)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215180", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(CC)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186737", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCOCC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80559", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65560", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150256", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(Br)cc1CSc1cc(N)ccc1Cl by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7681", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1nn(C)c2c1nc(CCl)n2Cc1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33291", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118656", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190054", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C[NH+](C)Cc2nc(-c3cccnc3)no2)ccc1-n1cncn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41309", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule c1ccc2[nH]c(SC[C@@H]3CC[NH2+]C3)nc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11995", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1csc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158040", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule c1cn2c(CN3CC[C@H](C[NH+]4CCCCC4)C3)cnc2cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39915", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197629", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])[C@@H]1CC[C@@H](CN2C(=O)CC3(CCCC3)CC2=O)O1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132229", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(F)ccc1CCN1CCC([NH3+])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216702", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(-c2cccnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46394", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[C@H]1[C@H](C)CCC[NH+]1Cc1ncc(C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21208", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)[NH+](Cc1csc(-c2cnn(C)c2)n1)C1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109704", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(OC)ccc21 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24524", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158493", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)(C)OC(=O)NC[C@H]1CCC[NH+]1CC(=O)Nc1sccc1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86581", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCOc1ccccc1/C=C/C(=O)Oc1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44289", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1CCN(C(=O)CN2CCC[C@@H]([NH+]3CCCCCC3)C2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193689", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87469", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249239", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C)s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8538", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162999", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1nc(C)nc(N2CCN(C(=O)c3cccc(OC)c3)CC2)c1Cc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241741", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(NC(=O)c2noc3c2CCCCC3)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15607", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1c(CCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cnn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21028", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(C)c1ncccc1N(C)C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206984", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53761", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](CNc1ncccc1C#N)Oc1ccccc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160374", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@](O)(CNC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70308", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28934", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1C)C(=O)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18887", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Fc1ccccc1C/[NH+]=C1\\NCC[NH2+]C12CCCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169295", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc2c(C)c(C(=O)N[C@@H](C)C(=O)N3CCOCC3)oc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126572", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CC1=NN=C2CCN(C(=O)c3ccc4ncsc4c3)C[C@H]21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36119", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(F)ccc1/C=C1\\SC(=S)N([C@H](C)[C@H]2CCCO2)C1=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4420", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1nc(C)c([C@H](C)NC[C@@H](OC)c2ccc(F)cc2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181350", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10048", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1nn(C)c(CC)c1CNC(=O)[C@H]1CCO[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168638", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11599", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3nnc4ccccn34)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118762", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1CCc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61168", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(c1cc(N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-])N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24458", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(CCOCC1CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127005", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(C)C(=O)[C@@]1(C)CCCN(c2ncccn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147267", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212616", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27008", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCN1CCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237476", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(CCNC(=O)c1cnc(-c2ccncc2)nc1)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127598", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([C@@H]1NCCc2[nH]c[nH+]c21)N1CCSCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20375", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccccc1F)O/N=C/c1ccncc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159556", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cc(CNC(=O)CNC(=O)C(C)(C)C)ccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106828", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1coc2ccccc2c1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75107", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(CCS(C)(=O)=O)C(=O)Nc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44382", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OC by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194265", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOCc1ccccc1CNC(=O)NCc1nccc2ccccc12 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54296", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@H]1COc2ccccc2O1)Nc1ccc2c(c1)OCO2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145455", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule C[C@H]1CC(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199697", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122429", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5273", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247074", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198453", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2ncc(C(=O)N3C[C@@H]4OCCN(C)[C@@H]4C3)n2c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132743", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43455", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc(C=O)cc1OCC(=O)NC1CCC(C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21704", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccncc2cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197609", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(=O)c1ccnc(Oc2cccc(Br)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222563", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cc(C)ccc1NC(=O)c1cccc(OCc2cscn2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185355", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91081", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CN1CC(=O)N(CC(=O)N[C@@H]2CCc3[nH+]ccn3C2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171196", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186701", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+]C[C@H](Cc1cccc(F)c1F)c1cccc(C)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110340", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1cc([C@@H]2C[C@H]2C[NH2+]C2CC2)ccc1C1CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96351", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(Cl)s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149742", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133521", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](Nc1ncc(Br)cn1)c1cc2ccccc2o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26278", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccnc(NNC(=O)[C@H]2CCOc3ccccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159369", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1CC[C@@H]([NH+]2CCC[C@H](Cn3ccnn3)C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157537", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170133", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H]1Sc2ccccc2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49617", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCCCN(C)S(N)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80483", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132190", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1(C)[C@@H]([NH2+]Cc2cccnc2N2CCC[C@H](C(N)=O)C2)[C@@]2(C)CC[C@@H]1C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16645", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccccc1OCCOc1ccccc1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93311", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124833", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ncsc1CCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141798", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Clc1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225808", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule ON(/C(=N\\c1ccccc1)c1ccccc1Cl)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105617", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C/[N+]([O-])=C\\c1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71142", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H]1CNc2c(C)[nH+]n(C)c2N1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60470", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187485", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cccc(NC(=O)c2cc3ccccc3o/c2=[NH+]\\c2ccc3c(c2)OCCO3)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178012", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C([O-])c1cc(SCCn2cccn2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132592", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C/C(Nc1ccc(C(=O)[O-])c(O)c1)=C1/C(=O)O[C@H](C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36327", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(SCc2noc(-c3ccccc3)n2)nc2ccsc2c1=O by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182034", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc(C)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145936", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccncc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205281", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=c1cc(CSc2cccc(Br)c2)nc2ccccn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174451", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c2n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77907", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](OC1CCOCC1)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98561", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(NC(=S)NNC(=O)[C@@H](C)NC(=O)c2ccccc2)c1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37190", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)[C@H](C)[S@@](=O)Cc1ccc(F)cc1F)c1ccccc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43372", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1nncs1)NC1CC[NH+](CC2CCCCC2)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79107", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccccc1CNC(=O)N[C@H]1CCCOc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69141", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1cc(C)ccc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139209", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCc2c(sc3ncnc(NCCC4[NH+]=c5ccccc5=[NH+]4)c23)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148559", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C#CC[C@@H](C)OC(=O)c1cc(C)oc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56499", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COCCOc1ccccc1CN1CCNC(=O)C[C@@H]1c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36319", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25319", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cl)c[nH]c1=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195906", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)nn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91551", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194748", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[S@@](=O)c1ccc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166378", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)CCCC2)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129148", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC[C@H]1CCCN(C(=O)c2csc(COC)n2)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163941", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243823", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CS(=O)(=O)N1CCCn2nc(CNc3ncccn3)cc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220496", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H](CSC)N(C)C(=O)c1cccc(C)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225766", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H](O)[C@H](C)[NH2+][C@H](C)CC(=O)N2CCOCC2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84218", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31086", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)N(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75040", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1cccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103507", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C[NH+](CC(=O)NCC(=O)N2CCCC2)C(C)C)s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227053", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COC(=O)NCCOC(=O)c1ccc(C(F)(F)F)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93556", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCCO[C@@H]1CCC[NH+](CC2(CS)CCCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125609", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91738", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule [NH3+]C[C@H]1CCCC[C@H]1N1C(=O)CCCC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103409", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1Br by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176641", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@@H](OC(=O)c1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98349", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCOc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55295", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccccc1NC(=O)NC[C@@H](O)c1c(F)cccc1F by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51548", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C#CCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6493", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(CCCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1F by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185609", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1cccnc1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193822", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210402", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCn1nc(C(=O)N[C@@H](c2cccs2)C(C)C)c2ccccc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226788", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80928", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221610", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1sc(N2CCCCC2)[s+]c1SCC(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82716", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c(OCc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107764", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CO[C@H](C)c1noc(CC[C@@H](C)CC[NH3+])n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118723", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248212", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1C1(CNC(=O)NCCc2ccccn2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75377", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71485", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1[nH]ncc1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191061", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CN4CCOCC4)CC3)C2=O)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194572", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@@H](C)CN(CC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242576", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)c1ccc(-n2cncn2)cc1)c1cc(Cl)cc(Cl)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212680", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76572", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule NC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77972", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1n[nH]cc1CNC1(c2ccc(F)cc2F)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164629", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Nc1nc(C[NH+]2CCCCCCC2)nc2ccccc12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182474", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccccc1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140312", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105773", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)(C)C1=C[C@@H]([C@H]2CC(=O)NC[C@H]3N=C4C=CC=CN4[C@H]23)N=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59700", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1cc(C[NH+]2CC[C@@H](OCCCc3ccccc3)C2)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115764", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236337", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162924", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H]1CSC[C@@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138794", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179763", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201446", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(F)(F)F)no1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204592", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98069", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31210", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCn1c(C(=O)NC(C)(C)c2ncc(C)s2)cc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78932", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1csc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13910", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H]([NH3+])c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60059", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)N1CCC([NH+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151492", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CCO by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128954", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cc(CNC(=O)c2n[nH]c(C(C)C)n2)cc(C)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153449", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H]1SCCC[C@@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191806", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(c1ccc(-c2nnco2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154084", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60821", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@@H]1C[NH2+][C@H](c2cc(F)cc(F)c2)CS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161566", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Fc1cc(NC(=S)NC2CC2)ccc1N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216795", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(/C=C2\\C(=O)N(Cc3ccco3)C(=O)N=C2[O-])c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202193", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58683", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH+](CC)CCN1C(N)=[NH+]C[C@@]12CC[C@H](C)[C@H](C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187072", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c([O-])n2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242620", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H](c1ccccc1)N(C)C(=O)CC1(O)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182546", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)NC(=O)N(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126543", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(C(C)C)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30307", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(CSc1nnnn1Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112736", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C[C@H](C(=O)N2CCNC(=O)C2)CC1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132204", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1COc2ccccc21 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230977", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138465", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133722", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98390", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)[C@H](NC(=O)N1CCCCC1)C(=O)[O-] by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3sccc3C)C2)cc1Cl by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141082", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Nc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134701", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc[nH]2)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125670", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C#CCn1/c(=N/C(=O)CCC)sc2cc(OC)c(OC)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109364", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(c1cc(Br)ccc1Cl)N1CCC(Cn2cc[nH+]c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182329", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20919", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@]23C=C[C@H]1O3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105204", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc([C@H](C)[C@@H](C)Br)ccc1Cl by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100866", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(NCCCn1ccnc1)c1cnn(-c2ccccc2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70439", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97490", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](C[NH3+])Sc1ccncc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230046", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCS(=O)(=O)CCN(C)C(=O)/C=C/c1nc2ccccc2o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220671", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cccc(C(N)=O)c1NCc1cn2cccc(C)c2[nH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121160", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN(C)c1c(C[NH2+]CC)c(C)nn1C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53615", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule [O-]c1nc(SCC2[NH+]=c3ccccc3=[NH+]2)nc2nc[nH]c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193339", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C1N[C@@H](O)c2cc(Br)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144828", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221552", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NC[C@@H](O)COc1ccc(F)cc1)NC[C@H]1Cc2ccccc2O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154490", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176805", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[NH2+][C@H](c1ccc(SC)cc1)c1ccc(OC)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128213", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCNS(=O)(=O)[C@H]1CC[NH+](CC(=O)Nc2cc(C)on2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115239", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142156", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc5c(c4)OCCO5)ccc3n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193461", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@H](OC(=O)c1ccc(Br)cc1F)[C@H]1CCOC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135434", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8957", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C[C@H]1CCCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21660", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222489", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151945", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(OCc2nc(CC(=O)N3C[C@@H](C)CC[C@@H]3C)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174193", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C/C(=N\\Nc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175910", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1n[nH]c(-c2ccc(C(=O)NCC(=O)N3CCCC3)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116551", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55827", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(C)c1ccc(CNc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107721", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cscc1-c1noc(-c2cc(Cl)cc(Cl)c2N)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105336", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(CNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4604", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(F)cc2Br)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43607", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199772", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1nc([C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68583", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(CCc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94876", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)COc1cccc([C@@H]2CC(=O)N[C@@H]3[C@H]2C([O-])=Nc2nc4ccccc4n23)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214527", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc2c(CCNC(=O)N[C@@H](CO)c3ccccc3F)c[nH]c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212286", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCc2c(sc3nc(CN(C)CCS(C)(=O)=O)nc(N)c23)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130258", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119483", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CNC(=O)NCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113617", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(COc1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47202", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129999", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCc1noc(C)c1C(=O)N(C)C1(C(=O)OC)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191487", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nn(C2CCCCC2)c(C)c1C[C@@H](C)C[NH2+]C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196524", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\\c1ccc(F)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156267", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(CC(=O)NCc2ccc[nH+]c2N(C)C)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130753", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13868", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@H](C)c1cccn1CCn1cccn1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208706", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[NH2+][C@@H](C1CC1)C1(N2CCOCC2)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167048", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1=NN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)[C@@](C)(O)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38862", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41658", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153703", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193304", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cnn1C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148351", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)C[NH+](C)C[C@@H]1CCCC(C)(C)C1=O by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227219", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCOc1cccc(C(F)(F)F)c1)N[C@H]1CCC[C@@H]1CO by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202184", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC[C@@H](COC)NC(=O)c1c[nH]c(C)cc1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143477", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CS[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3oc2=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195561", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CCn1c(=O)c2c(nc(N/N=C/c3cccc(OC)c3)n2C)n(C)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135595", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)OC(=O)NCc1ccccc1[C@@H]1CCC[NH2+]C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63076", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1csc(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38063", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(Br)ccc1C(=O)Nc1ccc2c(c1)COC2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96317", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc([C@H](C[NH3+])CCOc2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46155", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153530", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(N2CCN(C(=O)C3CCN(c4ncnc5c4oc4ccccc45)CC3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30498", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H]1CC[C@@H](C)C[NH+]1Cc1nnc(-c2ccc(C#N)cc2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65481", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc([C@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccncc2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167467", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200228", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CSCCNC(=O)NNC(=O)c2cccnc2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49991", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CO[C@H]1CCC[C@@H](OC(=O)CCn2cnc3ccccc3c2=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198408", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1ccc([C@@H](C)NC(=O)Cn2ccnc2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120136", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(N)cccc1S(=O)(=O)N[C@H]1CCC[C@@H](C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50928", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[NH2+][C@H](C(C)C)[C@H]1CCO[C@H](C(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135948", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc2nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc(C)c2cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145363", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCOC[C@@H]1CCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193704", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CNC(=O)COc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162189", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)c1ccc2c(c1)[C@]1(NC(=O)[C@H]3COCCN31)C(=O)N2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186528", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C[NH+](C)Cc2cccn2C)cc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201754", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOc1cc(F)ccc1NC(=O)c1cc(OC)cc(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51630", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CO)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139084", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H]1CC[NH+]2CCCC[C@H]12 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130142", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccccc1NC(=O)COc1ccc2ccccc2c1C=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240506", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(NC[C@@H](O)COc2ccc(F)c(F)c2)n2c(nc3ccccc32)c1C#N by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76460", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CC[C@@]1(C[NH3+])c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159294", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141805", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNc1cc(C[NH+]2[C@@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190755", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH2+][C@H](C)c1ccc(N2CCC[C@H](C(N)=O)C2)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196130", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234249", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCn1nc(C)c(NCc2cnc(-c3ccccn3)s2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182244", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[NH+](C)C1(C(=O)Cc2ccc(C(C)(C)C)cc2)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42607", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@H]1C(=O)NC(=O)C[C@H]1c1ccc(CC)s1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2572", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NCc1cccnc1OCC(F)(F)F)c1ccc2[nH]cnc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37108", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](c1ccccc1F)N(C)C(=O)NC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37254", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(CCCN2CCN(C3=[NH+]C[C@H](C)S3)CC2)cs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32740", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(=O)Cc1nsc(NC(=O)c2ccccc2Br)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235880", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)C(=O)Nc1ccccc1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11028", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Nc2ccc([N+](=O)[O-])ccc2=O)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88462", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COC[C@@H](C)Cc1nc(C[NH2+]C(C)C)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118272", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CCC[C@]1(C)CN(Cc2ccccc2)CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63372", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C[NH2+]C/C=C/c2ccc(C#N)cc2)sc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159954", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CS(=O)(=O)CCNc1nc(C[NH+]2CCCC2)nc2sc3c(c12)CCCC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233046", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CCC[C@@](O)([C@]2(C[NH3+])CCOC2)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185371", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(CNC(=O)Cc1n[nH]c2c(Cl)cccc12)NCC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163922", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC/C=C(/C)C(=O)N1C[C@@H](C)O[C@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123904", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2O)cs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98412", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211901", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(Br)cc4)CC3)nc2c1C by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170860", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CS(=O)(=O)c1ccc([C@H](O)CN(Cc2ccccc2)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191719", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2CCCC[C@@H]21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162282", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17123", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(F)c(OCCCCCS)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202679", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77552", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule NC(=O)[C@H]1CCC[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21019", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCOc1cc(OC)ccc1C(=O)CN1C(=O)c2ccccc2O[C@@H](C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220581", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)N[C@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156415", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1cccc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@@H]23)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20536", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101949", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=c1ccc2cc(S(=O)(=O)NCCc3ccccc3)ccc2[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191736", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule [O-]c1c([C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33833", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CNC(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54233", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7233", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1ccccc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141040", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)C[NH+]1CCCN(Cc2cccs2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58907", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@H]1CN(c2ccc3nnnn3n2)[C@@H](CC)C[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223688", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55222", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CN(C)c1n[nH]c(=O)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51696", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245370", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C/C(=C\\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61670", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1cc([C@H]2CN(C(=O)Nc3ccnn3Cc3ccccn3)CCO2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176954", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCc1ncc(C[NH+]2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33579", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1-c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191785", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2occc2Br)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152365", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCc1cccc(NC(=S)N(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155637", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137420", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1cccc(S(N)(=O)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19760", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159918", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2ncc(C(=O)N3CC[C@@H](C(N)=O)C3)s2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187386", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1csc(C2(NC(=O)CC3(O)CCCC3)CCCC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19594", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156561", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[NH+](C(C)C)[C@H](C)[C@H]([NH3+])c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108316", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60651", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cc(NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)n2ncnc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228965", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119325", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC1(C)O[C@H]2O[C@H]([C@H](O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@](C)(O)[C@H]2O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248862", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOc2ccccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101798", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ncccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122752", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc(N)n(Cc2ccccn2)[nH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132206", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NCC(=O)NNC(=O)c2ncccc2C(F)(F)F)c(C)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199568", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101374", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)cc(OCCNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47442", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC(C)(C)[C@@H]1CCC[NH+]1CCCc1nnc(C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73371", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)Cc2ccccc2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212632", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228033", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216382", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCN1C=C(C(=O)OCc2ccc(F)cc2)C(C)=NS1(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89641", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)NC1CCCCC1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63874", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC1CC1)C(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100611", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule OCCN1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153323", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C=C(/C)C(=O)N1CC[NH+](C)Cc2ccccc21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16409", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76882", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H](C)CCCO)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48069", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule c1ccc2c(c1)C[C@H](C[NH2+]CCC1CCCCC1)S2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229393", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)N1CCc2cc(Br)ccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130797", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)n1ccc(C(=O)NCC2(O)CCSCC2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1877", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC[C@@]1(CO)CCCN(C(=O)c2coc(CN3CCOCC3)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170767", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1cnc(N2CC[NH+]3CCCC[C@@H]3C2)c(C[NH2+]C2CC2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34324", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137544", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N2CCC[C@@H](NC(=O)COCC3CC3)C2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142902", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1ccc(F)cc1)c1nc2cc(Cl)ccn2c1F by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38176", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)o1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21166", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule N/C(Cc1cccs1)=N\\OC(=O)COc1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235435", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)[C@H]1NCCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121513", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N2CCOC2=O)cc1NC(=O)c1oc2ccccc2c1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58204", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156677", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1C[C@H]([NH3+])CN(CCCC(C)(C)C#N)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68672", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CN(C(=O)[C@@H](C)C(N)=S)C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11623", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule [NH3+]C[C@H]1CCCC[C@H]1[NH+]1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185687", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H](NC(=O)c1ccccc1)C1([N+](=O)[O-])CCCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162427", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C)n(C[C@H](C)C(=O)N2CCN([C@H](c3ccccc3)c3[nH+]ccn3C)CC2)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90019", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190500", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Oc1cccc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85178", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149045", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29026", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245647", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[C@H](C)C(=O)N1CCCC[C@H]1CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113404", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)c1cc(Br)c(C)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18457", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(F)c(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54940", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135158", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CN(C(=O)Cc1cccc(OCc2cccnc2)c1)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127842", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC[C@H](NC(=O)CCCc1cc(F)ccc1F)[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71529", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC[C@H](C)NC(=O)Cn1cccc2cc(C(F)F)nc1-2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177643", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\\c2ccc(F)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123891", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CO[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)NCc1ccncc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56122", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C(C)C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238342", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@@H](C)O3)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203358", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CNC(=O)NC(=O)CCSc1csc(C(=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92890", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22296", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142698", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CC[C@H](c2nc(=O)c(-c3ccc(Cl)cc3)c([O-])[nH]2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186599", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27750", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77360", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCCn1c(C)nnc1S[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64781", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1sccc1C(=O)[O-])c1cc2c(F)cccc2s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242796", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC[C@]1(Br)C=CC=CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116034", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(Oc2cc(NN)ncn2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100804", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(CNC(=O)c1ccc2c(c1)CCC2)NC[C@@H]1CCC[C@@H](O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213382", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)[C@@H](C)Oc1ccc2c(-c3cc4ccc(OC)cc4oc3=O)cc(=O)oc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35747", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(C)C[NH+](C)[C@H](C)C(=O)Nc1ccc(F)cc1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33756", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOCCNC(=O)N1CCN(C(=O)c2ccc(CC)cc2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239133", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1CC(=O)NCc1nccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69053", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@](N)(C(=O)NC[C@@H](O)CO)C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140323", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1c2c(cc3c1O/C(=C\\c1c(F)cccc1Cl)C3=O)CN(C1CC1)CO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153586", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1cccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72243", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H]1CCC(=O)N(Cc2cccc(Cl)n2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147018", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16345", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(N/C([S-])=[NH+]/Cc2ccccc2)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25726", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H]1CN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)CC[NH2+]1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143025", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC[C@H]1CC[C@H](Cl)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183279", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC([NH3+])(CC)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97486", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cnccc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53993", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)(C)c1ccc(/C(=N\\O)N[C@H](O)C(Cl)(Cl)Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140178", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc2sccn2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231321", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])/C=C/C(=O)Nc1ccc2[nH]ncc2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212430", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCc3n[nH]cc3C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62317", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213703", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSCCN(C)C(=O)c1ccc(-n2ccnn2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178153", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@H]1C[C@H](NC(=O)Cc2ccccc2O)CC[NH+]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217433", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87596", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201537", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Fc1ccccc1[C@@H]1CN(Cc2cnn3c2NCCC3)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206569", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(N[C@@H]1CCCSC1)N1CCOC[C@@H]1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68700", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CN(Cc1ccccc1N1CCOCC1)C(=O)c1scnc1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98355", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNc1cc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc(Cl)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215847", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22959", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97566", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)no1)O[C@@H](C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136855", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H](C)[NH+]1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7068", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@]1(c2cccc(NC(=O)CN3C(=O)CCOc4ccccc43)c2)NC(=O)NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29930", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CS[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168858", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57778", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCSc1nnc2c(n1)O[C@H](c1c(OC)cc(OC)cc1OC)Nc1ccccc1-2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140382", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1C[C@@H](c2cccc(F)c2)N(CCc2cnn(C)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21917", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(c1cncc(-c2ccsc2)c1)N1CCC2(CC1)OCc1ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48670", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C([O-])CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49701", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215241", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193061", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28016", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc(N(C)C)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64336", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC(=O)NC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109460", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cc(C)c(CSc2ccccc2N)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197461", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule COCC[NH+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45592", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@]1(c2ccco2)NC(=O)N(CC(F)(F)F)C1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242478", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(CCC(=O)N1CCOCC1)OCc1ncc(-c2ccc(F)cc2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182344", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](C)O by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180836", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(=O)[nH]c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16992", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@H](Br)C1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96705", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173768", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@H]3C2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152797", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2521", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(NOCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102691", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC/C(Cl)=C/Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49486", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H](NC(=O)[C@H]1CCC[NH+](C)C1)c1nnnn1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94156", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175221", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26642", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)cn1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30790", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(N)=O)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52701", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Nc1cc(-c2ccco2)ccc1F)c1ccc(Cn2cccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188624", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ncoc1C(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201898", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(/C=C/CBr)cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131337", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule F[C@H]1CCCC[C@@H]1Br by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47226", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(CNC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143284", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1C[C@@H](c2cccs2)[C@@H](c2ccccc2)C(=O)N1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20159", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C=CCn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114859", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]c3ccccc23)[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67694", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)no1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18332", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46125", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)N1C(=O)NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CC[NH2+]CC2)C1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5802", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cn1ncnc1CCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54240", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224749", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)[C@@H]1C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86846", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCOc1ncccc1C(=O)Nc1cc(C(C)(C)C)nn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166494", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)(C(=O)OCCNc1cccnn1)c1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98034", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)o2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136432", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22518", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@@H](C)C[C@H](C)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75359", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112187", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)N1CCOCC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84898", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CCc2c(O)cccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155472", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCC[NH2+][C@@H](C1CC1)[C@@H]1CCOC2(CCOCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177033", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18370", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(C[C@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129138", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(NCCc1cn2ccccc2n1)NCc1ccnc(OC2CCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193410", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=S(=O)(CCCF)/N=C([O-])/C=C/c1ccc(N2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103590", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(CN1CCOCC1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191159", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cccc(CSCc2csc(-c3ccco3)n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3730", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215468", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[NH+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215312", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(C1=c2ccccc2=[NH+]C1)[C@@H](S[C@@H]1NN=NN1C1CCCC1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137308", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](c1ccccc1)[NH+]1CC[C@H](N2CCc3cc(S(N)(=O)=O)ccc32)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143631", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28523", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C(C)(C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35732", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1Cl by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136882", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231531", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(=O)[C@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63622", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)N2CCOCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156602", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCCNc1ncc(CN2C[C@@H]3CCC[NH+]3C[C@@H]2C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99480", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nn(CN2C[C@H](C)O[C@@H](C)C2)c(=S)n1Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89834", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule N#CCOc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203856", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)Cc1ccc(F)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62035", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)C1(C)CC[NH+]([C@@H](C)c2ccccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169030", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(C[C@@H](c1ccc(Cl)cc1)C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204921", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@@H]1CCCN(c2ncccn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135856", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(c1cccc(Cn2cccn2)c1)N1CCO[C@H](C(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76696", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1n[nH]c(C(=O)N2CCN(S(C)(=O)=O)CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191019", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(OCc1nc(C2CC2)cs1)C1(c2ccccc2)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148581", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(N(C)[C@@H](C)Cc2cccs2)c(N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80785", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245602", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2cccs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76287", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc2nnc(N3CCC[C@@H](C(=O)NCc4cccs4)C3)n12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235029", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Cc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cs2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199577", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)C(C)C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114026", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17707", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc2n(n1)CCN(Cc1ncccc1C(=O)[O-])C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117933", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cn1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C(C)(C)C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193986", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](NS(=O)(=O)CCC1CC1)c1ccccc1O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159840", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1CC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20238", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26347", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Nc2ccc(C)c(F)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5459", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1ccnc1[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175376", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])COCC(=O)/N=C1\\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24801", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1CCC(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58618", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195151", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1cc(C(=O)Nc2nc(C)cs2)cc([N+](=O)[O-])c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29161", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22470", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCC(=O)O2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69355", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(COC)ncn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27333", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCc1nnc(-c2ccccc2)o1)N[C@H]1CCCC[C@@H]1O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86737", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=c1[nH]c(Cc2ccc(Br)cc2)nc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230736", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C[NH+](C)C(C)(C)CO)c(OC(F)F)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37304", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84802", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCOC(=O)N1CC[N+](=C(N)Nc2nc(C)cc(C)n2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44697", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156730", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCN(c4ccccc4F)CC3)cc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166881", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)CCNC(=O)Cc1ccc2ccccc2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167144", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)c1nn(C)cc1C[NH2+]CCCn1cnc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32925", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c([O-])n3)C[C@H]2NC(C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178775", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(NC(=O)c2cccn(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2=O)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127331", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3555", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1ccc(-c2ccc(Cc3nn4c(-c5cccnc5)nnc4s3)cc2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57117", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42475", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H]1CCC[C@@H]([C@@H](Cc2ccccc2F)C(=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36951", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CNC(=O)c1ccc(CN(C)C(=O)c2cc(OC)ccc2O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3650", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3oc(C)nc3c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207015", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C=CCNC(=O)[C@@]1(C#N)O[C@H]1c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231341", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57718", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10399", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CCS1(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42042", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35630", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nc(CNC(=O)c2ccc(C(C)(C)C)cc2)n[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116837", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102979", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(-c2cncnc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78823", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3c(F)cccc3Cl)nnc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163564", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(C=O)CC4)cc3C2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39469", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Cc1cc(C)n(-c2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163524", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCO[C@@H]1CCOC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163875", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193150", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1ccc([S@](C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142942", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccccc1-c1ccc(C[NH+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143488", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1cnn(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94029", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CC(=O)N(C2CC2)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224062", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccc(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225638", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1cnc(S(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214963", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96189", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC[NH+](C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75921", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1nn(C)cc1C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8441", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)COC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217002", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1ncc(C[NH+]2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49000", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)Nc1cccc(F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21686", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(Nc1cnc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51661", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2ccc(NC(=O)C(=O)N3CCO[C@H](c4ccccc4F)C3)cc2o1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235965", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7098", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS(=O)(=O)CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9343", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1CCC[C@H](NC(=O)NCCC[NH+](C)CC(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23430", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Oc1ccc(NC(=O)c2cccs2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165520", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CN1C(=O)[C@@]2(c3ccccc31)[C@H]1C[C@@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47991", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[NH2+][C@@H](C1CCCCC1)[C@H]1CCOC2(CCSCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224268", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224783", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(OC(C)C)cc3)NC2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94579", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH2+]C[C@H]1C[C@H]1c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9126", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(OC)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17749", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(C[S@](=O)Cc1ccccc1)N1CCc2sccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66824", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81113", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)NC1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3119", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCc1cc2c(CN3CCC[C@@H]3c3ccc(OC)cc3)cc(=O)oc2cc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240301", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule NC(=S)Cc1ccc(S(=O)(=O)NCc2cscn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154859", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCC[NH2+]C1CC(C(=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167470", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)N1CC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1=O by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153194", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccc(-c2nc(NC(=O)c3nccn4ccnc34)sc2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247584", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1ccs/c1=N\\C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28615", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1ncnc1/N=C(\\[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187219", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)C[C@H]2C[C@](C)(CN2c2cncc(/C(N)=[NH+]\\NC(=S)N3CCCC3)n2)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85910", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81486", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@@H]1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207898", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127230", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCS(=O)(=O)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201567", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH2+][C@@]1(CO)CCC[C@@H]([NH+](CC(C)C)C(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226856", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCOc1ccc(CN2CCO[C@H](c3nc(C)cs3)C2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104150", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(OCC(=O)Nc2sccc2C(=O)[O-])ccc1Cl by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166344", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C=CCn1c(=O)oc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190968", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccc2c(c1)CCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159167", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162349", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH+]1CCN([C@@H]2CC[NH+](Cc3ccco3)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49283", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nccs1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71787", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(/C=C/c1c(Cl)nc2sccn12)NCCc1cc(F)cc2c1OCOC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231307", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CCC#N)C(=O)Cn1nnc(-c2ccsc2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57390", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COCc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)c1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176054", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc2c(c1)[C@](O)([C@@H]1CC[C@H](C)[C@@H](C)C1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203783", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc(CC(=O)N2CCCCC2)cc1)c1ccc(N2CCCOC2=O)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112769", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](C(=O)N(C)[C@H](C)c1cccnc1)n1c([S-])nnc1-c1cccs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38565", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccccc1CN1CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159834", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1nnc(N2CCCC2)s1)NC[C@@H]1CCCO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242564", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2[nH]ncc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76447", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(C1=NC=C(c2csc(NC[C@H]3CCCO3)n2)C1)N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172733", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCO3)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188860", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC[NH2+][C@H]1[C@@H](C[NH+]2CC[C@H](COC)C2)CCC1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25007", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69722", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COCCOc1ccccc1C=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169047", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC(=O)c1ccsc1NC(=O)[C@@H](C)c1ccsc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50669", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@@]12CCCc1ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212377", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cn(C)nc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192674", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cn(C)c(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170632", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@H](C)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234064", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N(CCC#N)C(=O)CSC2=N[C@H](C)CS2)cc1C by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28993", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]1CSCCN1C(=O)Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44317", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCc1ncc2c(n1)C[NH+](CCCS(=O)(=O)c1ccccc1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40213", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C)n(CCNC(=O)CCSc2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236198", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc([C@@H]2C[C@H](C)[NH+](Cc3cnc(-c4cccnc4)s3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77475", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cccn1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106928", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104221", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH+](CCNC(=O)C(=O)Nc1cccc(F)c1C)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182498", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CSC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77363", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC1(C)C(=O)[C@]2(C(=O)N3CCN(C(=O)[C@@]45CC[C@@H](C4)C(C)(C)C5=O)CC3)CC[C@H]1C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28576", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H](Nc1ccc(C(N)=O)nn1)c1ccc(F)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151383", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(NC(=O)CCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152842", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(NCC[NH+]1CCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99152", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185032", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc(C)c(/C([O-])=N/S(=O)(=O)CCCF)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51242", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH2+][C@](C)(C[NH+]1CCC(C)(C)C1)C(=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148202", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H](C)NC(=O)CNc2ccc(F)c(C(=O)N(C)C)c2)cc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237422", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1OC(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67017", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule C[NH2+][C@H]1CC(C)(C)c2c(C)cc(Cl)c(C)c21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168670", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144844", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C2)nn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193285", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(CCSc1ccc2c(c1)OCCCO2)NCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86273", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)n1ncc(C(=O)N2CCC(c3nc(C)no3)CC2)c1C1CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233894", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(CC(C)C)C3)[nH]c2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18677", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137439", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](NCc1cnc(C(C)(C)C)s1)c1nc(C(F)(F)F)cs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152864", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28060", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCC[C@@H](NC(=O)[C@@H]1CCN(C(C)=O)C1)C(=O)OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83271", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(-c5ccc(F)cc5)no4)CC3)CC2=O)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228024", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(F)cc3)cc(=O)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125918", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H](C)NC(=O)c1cccc(-c2ccc(N3CCOCC3)[nH+]c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189074", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CC[NH+]1CC=C(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Cl by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24104", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7271", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@@H](C)c1cc(F)ccc1Sc1cccc(F)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163306", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](Cc1nc2ccccc2s1)NCc1ncn(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10109", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/n2cnnc2SCc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27017", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1c(C)cnc(C[C@]2(C[NH3+])CCC(C)(C)[C@H]2O)c1C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232330", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCn1nc(C)c(C[NH+]2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccccn2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218425", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccccc1[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179762", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236791", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(-c2cc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)on2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59259", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)C1(C)CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111143", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1nn(CCCC(=O)NCc2ccccc2)c(=O)c2cc3occc3n12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145008", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cc(C=O)cc(Cl)c1O[C@@H](C)[C@H](C)O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196774", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC1(C)CCSC[C@@]1(O)c1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148621", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226696", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127667", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43596", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NC[C@H]1CCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135761", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)no3)on2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89406", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)c1ccccc1NC(=O)[C@@H]1CCCS1)C1CCCCC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41590", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2nc(C)c(C)c(C(=O)NCC[NH+]3CCC(CO)CC3)c2c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8533", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1OC(=O)COc1ccc(Cl)cc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130654", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)c1ncc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164928", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)c1ccsc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58280", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)NC(C)(C)C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165516", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C1C[C@@H](c2ccccc2F)c2c(n[nH]c2-c2ccccc2)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146903", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)[O-])CC1)CC2=O by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196938", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](OC(=O)Cc1csc(N2CCNC2=O)n1)c1nccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199301", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(COc1ccc(Oc2ccccc2)cc1)NNC(=O)c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199914", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(C)c(NC(=O)CCNc2nccc(N3CCC(O)CC3)n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164405", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(-c2ccc(C(=O)Nc3cccn(C)c3=O)cc2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62376", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CNC(=S)n1nnc2cc(Cl)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121104", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCS(=O)(=O)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240489", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68760", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](CNC(=O)N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCC[C@@H](C)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230298", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Oc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)CC2CC2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5865", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)N1CCC(Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114002", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C(#CCN1CCCC1)C=C(c1ccccc1)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36835", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nn(C)cc1[C@@H](C)NC(=O)NCC1(C)Cc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126356", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@@H]1CCC[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25031", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(/C=C/c1ccc2c(c1)OCO2)NCC#CCOc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143991", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CSC[C@H]1CCN(S(=O)(=O)c2c(C)sc3ccccc23)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237197", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@H]1C[C@H]1NC(=O)c1ccnc(F)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205773", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)C[C@H]1C=CCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159401", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95176", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCn1cc(CC(=O)N[C@H](CO)c2ccco2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125112", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3560", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232546", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc2ncc(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)n2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158200", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](n2cncn2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51132", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccc(COc2ccccc2OC)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84263", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccnc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151570", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCCC3)cc2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107063", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule N#Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2F)[n-]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63785", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc([C@@H]2[C@H](C(=O)NC[C@](C)(O)C(C)C)CCC(=O)N2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156744", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226107", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C=C(C)Cn1ccc(-c2ccsc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2539", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14427", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53284", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nc(C[NH+]2CCN(Cc3cc(C)n(-c4nccs4)c3C)CC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196152", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(F)c(F)c1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78154", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1[N+](=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44954", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(C)c(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68426", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule C#CCC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221567", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(NC(=O)C[NH+](C)C[C@@H]2CCCO2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54595", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc(NC(=O)NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202541", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)C[C@@H]1C(=N)NC(=O)N1CC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccnc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194537", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(F)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210600", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)C1=C(NC(=O)NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156434", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1csc(-c2ccccc2Cl)n1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100788", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59392", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(-n2c(C)cc(/C=N\\NC(=O)CN3CCOCC3)c2C)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38855", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155342", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cn(CC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214672", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CSc1ccc(/C=N/NC(=O)CCCc2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53930", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COC(=O)c1ccc(CN(C)C(=O)C[NH+]2CCS[C@H](C(C)C)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57866", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS(=O)(=O)CC(=O)N[C@@H]1CC[NH2+]C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95800", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule c1ccc(OCc2nc(CNc3cnn(-c4ncccn4)c3)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20299", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Sc1nnc2ccc(-c3cccnc3)nn12 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199158", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCCC(=O)c1cc(C)c(C)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150784", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@]1(C(=O)c2ccc3ccccc3c2)CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49788", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21115", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc2c(c1)COC2)[C@@H]1CSc2ccccc21 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21909", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccccc1[C@]1(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)CC(=O)N(C2CCCC2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191881", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79710", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCOc1c(CN2C[C@H]3CCC[NH+]3C[C@@H]2C)c(C)nn1CC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198852", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1cc([C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137925", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1nc(N2CCN(C(=O)C3CCC3)CC2)ncc1Br by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38216", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54475", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4F)[C@H]32)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168526", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182054", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=c1ccc2ccc(OC3CC[NH2+]CC3)cc2o1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134161", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Fc1nc(F)c(F)c(NCc2nncn2C2CC2)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108855", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH2+][C@@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20774", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107746", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H]1CCC[NH+]1[C@@H]1CCc2ccc(OC)cc2[C@@H]1O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143463", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2O/C1=N\\O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204637", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2cnc(C3CC3)s2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86448", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](CNCc1c(F)cccc1Cl)[NH+]1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56626", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c2c1OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217310", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule N#CCc1noc2cc([N+](=O)[O-])ccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206981", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C(=O)/C(=N\\Nc2ccc(Cl)cc2Cl)c2ccccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164481", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)c1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52483", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236245", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCN(CC)C(=O)CCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232622", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1cc(=O)[nH]c(-c2ccc(N[C@@H]3CCN(C(=O)OC)C3)nc2)n1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29994", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1ccc(N2CCCCC2)cc1)c1csc(-c2ncccn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105866", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C([O-])CCCC3=N2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34851", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27406", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)C2=NC=CC2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116508", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCSc1cncc(N(C)C[C@H](C)O)n1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)Cn2cc(I)c(=O)c(I)c2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215409", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN(C(=O)c2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2)C[C@H](C)O1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58897", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cc2c(cc1NC(=O)c1cnn(C(C)C)c1C)O[C@H](C)C2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171888", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15122", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@](C)([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1OC by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87190", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(N2CCCCC2)cc(=O)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18645", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249196", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(C)c1nc(N)nc(COC(=O)c2cc3ccccc3c(=O)[nH]2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180882", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1ccccc1O)C(=O)CSCc1cccnc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70100", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2cnnc2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117240", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nsc(N(C)C(=O)[C@@H]2CC(=O)N(C)C2)c1C(=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99325", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189041", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1cccc(CC(=O)Nc2cc(C(C)C)n[nH]2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214489", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(C[C@H]1CCC[NH+]1C)C(=O)N1CCCCC[C@@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15850", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1c(-n2ncc(N(CCO)Cc3ccccc3)c(Cl)c2=O)nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94414", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])C[C@@H]1CN(C[C@H]2CCOC2)CCO1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199348", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237233", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC(=O)NC1CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85314", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COC(=O)[C@@]1(F)CCN(C(=O)Cc2cccc(O)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215970", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COCCn1cc(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70103", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(Cc1cccs1)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209697", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164378", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1[C@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20446", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(C[NH2+][C@@H](C)CO)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131820", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65907", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(NC(=O)CC[NH+]2CCN(c3nccs3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32808", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230428", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102956", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule [NH3+][C@H](c1ccc(Cl)cn1)[C@H]1CCc2cccnc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5528", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1c(F)cccc1F by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23547", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1csc([C@H](C)NC(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169563", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Oc1cc(Br)c(O)cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94436", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nnnn1/C(=C\\c1ccccc1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171848", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(C)C(=O)CCN1C(=O)c2ccccc2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94211", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)(C)C1CCC(C#N)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156452", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=c1c2ccccc2nc(SCc2cccnc2)n1C1CCCCC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11769", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CSc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131273", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C([O-])[C@@]1([C@@H]2CCO[C@@]3(CCOC3)C2)CCOC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136441", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Nc1ccccc1OCC(=O)c1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9007", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174240", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243248", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C[C@@H](C)O1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43130", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nc(C[C@H](N)c2ccc3nccnc3c2)sc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4107", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118030", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)no1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59852", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCONC(=O)C1CCCCC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120603", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H](/N=C1\\C(=O)C(=O)[C@H]1N1CCCC1)C(=O)[O-] by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129748", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC1CCC(N(C)C(=O)CCCn2cncn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28578", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36328", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132072", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ncc[nH]1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27073", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1cccc(C(=O)N[C@@H](c2ccco2)c2c(O)ccc3ccccc23)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42410", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16416", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCCCO[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97496", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Oc1ccc(Cl)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78874", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc([C@@H](C)C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100527", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)([C@H](O)c1ccccc1Cl)[NH+]1CCCCC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58453", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1cccc([C@@H](CC(F)(F)F)C(=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11344", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)NCCNC(=O)N[C@H](C)c1nc(C)cs1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149139", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCc2c(cccc2NC(=O)N2CCN(CCOC)C(=O)C2)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34781", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H]1C[C@H](c2ccc(F)cc2)C[NH+]1Cc1cnc(N(C)C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29364", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC1(CC)[C@@H](NC(=O)N2CCO[C@H](c3nccs3)C2)[C@H](C)[C@@H]1OC by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78129", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CNC(=O)N(C)CCOc1ccc(Cl)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85450", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28447", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)n1nccc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142896", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64658", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@@H](O)C1CCCC1)N[C@H]1CC=CCC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233036", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1cccc(F)c1C(=O)N1CCO[C@H](C#N)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45195", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214175", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3COc4ccccc43)c2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39207", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)n1ncnc1C[C@@H](C[NH3+])c1ccccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231617", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(N)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26563", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@@H]1c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39380", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCNC(=O)NC(=O)C[NH+](CC1CC[NH2+]CC1)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31829", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)CC[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199371", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H]1CCCC[C@@]1(NC(=O)N[C@@H]1CCOC1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69691", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196998", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)OCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197237", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(CC(C)C)s2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153225", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)CC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35035", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc(C)c(F)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245517", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule COc1c(C)cccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203728", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H](CNC(=O)NCc1ccncc1)[NH+](C)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20166", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1cccs1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25268", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(OC)c2)cc1OC by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26243", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(Nc1nnc(C(F)(F)F)s1)c1ccc2[nH]cnc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45529", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCC1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51071", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=S(=O)(NCCNc1cc(-n2cccc2)ncn1)c1ccc2cccc3c2c1CC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96744", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nn(C)c(C)c1CC(=O)N(C)c1nc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173104", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cc(C[NH+]2CC[C@@H](Oc3cccnc3)C2)cc2c1OCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18617", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc2c(c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146373", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)[C@H]1C[C@]2(C(=O)N(C)c3ccc(F)cc32)[NH+]2CCC[C@H]12 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229098", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240002", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ncc([C@@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77701", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44409", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]3CCC[C@H](C)C3)c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13442", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199247", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nccn1-c1ncccc1NC(=O)[C@@H]1COc2ccccc2C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148972", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82719", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H]1CN(C(=O)c2cc(Cl)cn2C)CC[C@H]1[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100671", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(-c2ncc(-c3c(-c4ccccc4)ncn3CCC(N)=O)cn2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188346", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2cccnc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59827", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NC(=O)NCc1cccnc1)c1cccc(OC(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30809", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1cc(F)cc(-c2ccc(C(=O)[O-])cc2C)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44248", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ncc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109950", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(CN(C)c1c[nH]c(=O)[nH]c1=O)OC by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112910", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H](C)C#N by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27604", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(F)cc(/C([O-])=N/S(=O)(=O)c2ccccc2F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202189", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1Br by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29257", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COC[C@H](C)[C@@](C)(O)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174890", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CN(C)C(=O)c1nnc(C(=O)[O-])s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239777", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23163", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]([NH3+])C[C@H](C)[C@@H]1CCc2cccnc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150029", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(CCCSc1ncnc2sccc12)c1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112599", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(C#N)cc1C by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221366", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)[nH]n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205404", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130741", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1CCO[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30061", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(N2C(=O)N=C([O-])/C(=C\\c3ccccc3C)C2=O)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73990", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCc1ccc(C(=O)Nc2cc(F)ccc2F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168911", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1C[NH+]1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134013", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(OCC(=O)Nc2nc3c(s2)COCC3)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214375", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)c1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55526", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=S(=O)(c1ccccc1Br)N1CCN(c2nc3ccccc3s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40727", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCNC(=O)c1ccccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110023", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22143", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1nn(C)c(OC)c1CNC(=O)c1cc(C)nc2cc(F)ccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239848", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C#CCOc1cc(F)ccc1NC(=O)Nc1cc(CCC)nn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103448", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CC12CCC2 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247381", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1noc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105879", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CNC(=O)COc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191990", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Cc1ccc(F)cc1)n1nnc2ccccc21 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151713", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCNC(=O)c1cc(=O)[nH]c2c(C)cccc12 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185484", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194844", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86347", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1csc([C@@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2335", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)c1cc(NC(=O)[C@H]2COc3ccc(Br)cc32)[nH]n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51921", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)c1ccc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50104", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COCCN1C(=O)C([O-])=C(C(=O)c2c(C)nn(C)c2C)[C@@H]1c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66966", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H](C)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24235", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccn(C)c3=O)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148691", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180962", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=S(=O)(c1ccc(F)cc1F)N1CC[C@@H](Nc2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38246", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CCCC[NH+]1CCC[NH2+]Cc1ccc(CO)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39949", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38401", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(COc1ccc(I)cc1)NCCc1c[nH]c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42508", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176153", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19694", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c2nc(NC(=O)Cc3c(C)nc4nc(N)nn4c3C)sc2c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138329", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccc[n+]1Cc1ccccc1)c1cnc2ccc(F)cc2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130419", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C#Cc1cccc(N(C)C(=O)C=C2CCSCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152772", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](CCc1cccn1C)NC(=O)COc1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116813", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(N/N=C\\c1ccc(Sc2ccccc2)o1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172114", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H](C(=O)N1CCCCCC1)N1CC[NH+](C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45957", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@@H](C)[C@@H](O)CSc1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21640", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1(C#N)CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91073", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)[C@H]1CS(=O)(=O)CC[C@H](C)[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214759", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc([C@@H]2C[S@](=O)C[C@H](C)N2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209785", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(Oc2ccc(S(C)(=O)=O)cc2N)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196718", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)cc2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52650", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227933", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Br)cc4F)c(C)n3)cc2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183490", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])C[NH+](C1CCCC1)[C@@H]1CCOC2(CCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109584", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nnc(CN(C)C(=O)N[C@@H](C)C(C)C)n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114233", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN(Cc2nc(CCc3ccccc3)no2)[C@H](C)CO1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46176", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCN(C(=O)C[NH2+]C1CCCCC1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1911", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2[nH]c3ccccc3c2Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210622", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(OCC(C)(C)C(=O)[O-])cc(C(C)C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78016", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(=O)c1ccc(OC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76769", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1ncc(CN(C)[C@@H](C)Cc2cccs2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138350", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)CCSc1nnc2c(S(=O)(=O)N3CCOCC3)cccn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222082", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1CC[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CN1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217615", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(NCc2ccc(C3=NN=CC3)cc2)c(C#N)c(=O)n(C)c1=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147712", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76327", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CN1CCO[C@H](c2cccc(F)c2)C1)NCc1cccc(Cl)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168192", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84608", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C([O-])c1cccnc1C(=O)Nc1ccc(Cl)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90299", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule FC(F)(F)c1nc2ccccc2n1Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159712", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+]Cc1n[nH]c(=O)n1-c1ccc(C)cc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146122", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1(C)[C@@H](NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]2CCO[C@@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36857", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130531", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1csc(C(=O)NCc2nc(-c3cccs3)no2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178338", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1c(O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)ccc2c3c(c(=O)oc12)CCC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242560", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(N2C[C@H](c3nc(-c4oc5ccc(OC)cc5c4C)no3)CC2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)CC[NH+](CC[NH2+]CCc2ccsc2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203327", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nonc1COc1ccccc1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199375", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196733", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOC(=O)C1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236169", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CN(CCOCC1CC1)c1nc2ccc(N)cc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152431", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CCCC3)ccc2OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161863", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cccc(C)c1CCNC(=O)c1cnc([C@H]2CCCO2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233846", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111138", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C(N)N3C)o2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61169", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101998", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156062", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule NC(=O)c1ccc(OCC(=O)NC[C@@H](O)c2cccc(F)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104854", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@@H]1[NH+]=N/C(=N\\C(=O)c2ccco2)S1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37166", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132238", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCN(CC)c1ccc(CNC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)c[nH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172445", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186411", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CN1C(=O)S/C(=C\\c2ccccc2)C1=O)N1CCN(CCO)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51102", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCn1c(CCCCO)nc2cc(C#N)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149656", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COCc1nc(C)cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76579", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS/C(=N\\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237828", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc2nc(N3CCO[C@@H](c4cccc(O)c4)C3)ccc2c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131319", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NC(=O)C1(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237443", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22568", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1ccc2c(c1)OCO2)N1CCC(Oc2nc3c(F)cccc3s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231132", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188704", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69669", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1cnnc1[C@H]1CCCN1C(=O)c1c(O)cc(Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167421", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH+](Cc1ccccc1F)CC1(CS)CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99525", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccc(C2=C(O)c3cccc4cccc(c34)C2=O)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187952", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1nc(C(=O)Nc2cccc3ncccc23)co1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9397", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16256", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164093", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(OCCNC(=O)Nc2nnc(C)s2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46796", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96731", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)[C@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135191", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CCO[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209046", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccccc2)c2ncccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8923", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COC(=O)[C@H](C)NC(=O)c1cc(Br)ccc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121765", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228639", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)c1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100795", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1[C@@H]2CCC[C@@H]2N1C[NH+]1CCC(c2ccccc2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42611", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccccc3C)n2)c1C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246303", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)C[C@@H]1CCCN1c1nc(C2CC2)ns1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121377", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccc(CN2CCCC2=O)c1)[C@H]1Cc2ccccc2O1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72016", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44136", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H](Sc1nccn1C)C(=O)NC1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78008", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1ccc2c(c1)CC[C@@H]2NC1=[NH+]CCCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118318", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1ccc(C[NH+]2CCC[C@H]3CCC[C@@H]32)cc1)N1CCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173331", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule COC(=O)[C@@H](C)N1CCc2c(F)ccc(F)c2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168414", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc([C@H](NC(=O)C2C[C@@H](C)O[C@H](C)C2)c2nccn2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218877", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60306", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C)c(C[NH+]2CCC[C@@H]2c2c(C)n[nH]c2C)s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47182", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1ccccc1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220956", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCCc1cc(=O)n2nc(-c3ccc(C)cc3)c(C)c2[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58368", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)C[C@H]1Cn2ncnc2NC1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40678", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248230", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216798", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41624", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ncc(C[NH+](C)CCn2c(=O)oc3ccccc32)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17491", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule N#C[C@H](Nc1cccc2ccccc12)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5834", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CC(C)([C@@H](N)[C@H]1CCc2cccnc21)[NH+]1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47858", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CN(CCS(C)(=O)=O)C(=O)C[C@@H]1CCC[NH2+]C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29824", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOCCC(=O)NCC(C)(C)C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115327", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC1(C)CC[C@@H](CN2CCOCC2)[C@@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13343", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2ccccc2c(=O)n1CCOC(=O)C(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143903", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc([N+](=O)[O-])c(NCCCN2CCOCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109729", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N=C1/C(=C/c2cccn2-c2ccc(Cl)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115169", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1c(Cl)nnc(NC[C@]2(C)CCCO2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35846", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196581", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=S(=O)(N/N=C\\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106573", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)nnc1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191952", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c(Cl)cc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213321", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C[NH+]2CCn3nc(C(=O)NCCO)cc3C2)[nH]c2ccc(F)cc12 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13961", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)Oc1ccc(C(=O)NN2CCOCC2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246698", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1cc(-c2ccsc2)n2nc(SCc3ccc4c(c3)OCCCO4)nc2n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152710", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CCS(=O)(=O)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25678", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(C)C[C@@H](C)[NH2+][C@H](C)CC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232468", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Nc1cc2[nH]c(=O)[nH]c2cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60512", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1cccc2c(C(=O)COc3ccc(-c4nnco4)cc3)c[nH]c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78092", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(OC(=O)[C@H](C)Cl)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143980", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nc(-c2ccccc2F)sc1[C@H](C)NCc1cccc(N(C)C)[nH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80301", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205317", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(C(=O)N2C[C@@H](C)OCC2(C)C)c1F by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93016", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule NC(=O)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116532", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CO[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184274", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213967", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C/C(=N\\c1ncccc1C)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60018", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109073", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccccc1-c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc3ccc(Cl)cc3s1)C2=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182373", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cccc(OCCN(C)C(=O)NCCC(=O)N(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72965", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1cccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72865", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(C)NS(=O)(=O)c1ccsc1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64466", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CC[NH+](C)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233548", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77107", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1ccc(OC)c(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36580", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)c1c([O-])[nH]c(-c2ccc(Cl)cn2)nc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157090", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(C)(C)[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150109", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1csc(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150622", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)C[C@H]1COCCN1C(=O)CSCC(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1520", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccccc1-c1ccc(/C=C(\\C#N)C(=O)[O-])o1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217853", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc2[nH+]c(CNC(=O)c3ccc4cc[nH]c4c3)cn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139386", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200458", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6436", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=CN1CCC[C@H]1[C@@H]1CCCC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169882", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COCC[NH+](C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1)C1CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35697", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(SCCC(=O)NC2=NCCS2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57960", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nnc(C[NH+](C)C2CCC(c3ccc(O)cc3)CC2)n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38263", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224309", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1cc(C(=O)N(C)Cc2cccc3ncccc23)cs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69058", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC(C)(C)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221157", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@](C)([C@@H](O)c1ccc(F)c(C)c1)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11977", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=c1[nH]c2c(c(=O)n1-c1ccccc1)CCCS2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25757", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131189", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=S(=O)(Cc1ccccc1Cl)NCc1ccoc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221010", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCO2 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134547", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C)c(C)o2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32543", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC[C@H](O)CC[NH2+][C@H](C)c1c[nH]c2cc(Cl)ccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65527", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Nn1c(SCc2ccccn2)nnc1C1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221581", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1cccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151435", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc([N-]S(=O)(=O)c2cccc(N)c2C)ccn1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80221", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1NC(=O)NCC1(CN2CCOCC2)CCCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217646", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NCCNC(=O)c2ccc3c(c2)COCO3)n[nH+]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131254", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCC(CC)C[NH+]1C[C@@H]([NH3+])C[C@@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189957", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(CN2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41670", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1CCc2c1cnn2-c1ccccc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110045", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cnn1-c1ccccc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76056", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)ccc1O)c1cccs1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24728", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])c1ccccc1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171490", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH2+][C@H]1[C@H](CN2CCCOCC2)CCC1(C)C by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30819", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1/C=C/C[NH+]1CCC2(CC1)C[C@H]2C(=O)N(C)Cc1cscn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164799", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122900", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C)nn(-c5ccccn5)c4C)CC3)CC2=O)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46285", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC(CCC)C(=O)Nc1nccs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154904", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57673", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule Fc1cc([C@H]2OCC[C@@H]2Nc2ncnc3[nH]cnc23)ccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235247", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146729", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=[N+]([O-])c1cc(F)ccc1OC[C@H]1Cc2ccccc2S1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247155", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CS(=O)(=O)CCn1cnc2ccc(Br)cc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187934", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCO[C@@H]1C[C@H](NC(=O)N(C)C2CCS(=O)CC2)C12CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38800", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209826", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(N)cc(S(=O)(=O)Nc2ccccc2C(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219741", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44353", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nnc(NCCOc2cccc(Br)c2)c(C#N)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191376", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(C[C@@H]1CCCO1)Nc1ccc(Br)cc1C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137914", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)=CC(=O)N1CCN2NC([C@@H]3[NH+]=c4ccc(Cl)cc4=[NH+]3)=C[C@@H]2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225911", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule c1ccc(CCCOC2C[NH2+]C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228855", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170006", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nc(CNc2cccc(C(=O)N3CCSCC3)c2C)no1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144869", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56903", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H]1CSC(SCc2coc(-c3ccc(F)cc3)n2)=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51629", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COCCNC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158569", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51960", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(F)c(Cl)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46480", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule [NH3+]CCC1=c2cc([N+](=O)[O-])ccc2=[NH+][C@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53527", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(Cl)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130867", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-c2ccc(N)cc2)c(C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121220", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)N1CCc2cc(CNC(=O)Cc3ccc(F)cc3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134108", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccc(NC(=O)N(C)CCC#N)c(OCC(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116911", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CN(Cc1cccc(F)c1)c1ccc(CO)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10323", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165063", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])c1cc(Br)ccc1OCc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56383", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C1CC[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)CN1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175402", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71072", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCO[C@@H]1C[C@@H]([O-])C12CC[NH+](Cc1cc(C)c(C)cc1C)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162138", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81888", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CCNC(=O)NCCC(=O)NC1CCCC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90212", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCN1CCN[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34957", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131119", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225831", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCC(=O)Nc1ccc(N2CCN(Cc3nc4ccccc4n3C)CC2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124374", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203161", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CCC/C=C/CC[NH2+]C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83925", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(NC(=O)C(=O)NCC(N)=S)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240960", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)Oc1ccc(C(=O)/C=C/c2cccnc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94035", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC1(C)CCC[C@@]2(O[C@H]2c2ccc(Cl)cc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179566", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112012", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)N(C)C(=O)C1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20976", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143651", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29631", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12)C(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71997", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(C)nc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82412", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+][C@@H]1C=C[C@@H](C(=O)NCCc2cccs2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12831", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CN(CCS(C)(=O)=O)c1ncc(C[NH2+]C(C)(C)C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48933", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83605", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105364", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[C@@H]1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83423", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62585", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[NH2+][C@H](Cc1nc(C)cs1)c1cc(C)ccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71130", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@](C)([NH3+])c1ncc(-c2ccc(C)o2)[nH]1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147790", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[C@@H](OC)C(=O)N[C@H](C)c1ccc(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75062", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133550", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227920", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#CC[C@H](OC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)c1ccccn1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109475", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCS(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113478", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H]1CCC[C@@H]([C@](C)(O)C2(C)CC2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185560", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2ccccc2C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158842", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[C@@H](NC(=O)NCc1ncn(C)n1)[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244760", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(NC(=O)CSc2nccn2-c2cccc(F)c2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120852", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180390", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C/[NH+]=C(/NC[C@H]1CCC[NH+](C)C1)N1CCN(Cc2cccc(Cl)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112222", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49297", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc(-c2nnc(NC(=O)C3CC3)o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86317", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73777", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)OC[C@@H]1CCC[C@H]([NH3+])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124305", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ncccn3)CC2)cc1C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137173", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCc1cc(Cn2ccc([C@H]([NH3+])CC)c2)n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56435", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccnn1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69665", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCC[C@@H]1CCC(=O)[C@H](C(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48611", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221911", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36603", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule S=C1[NH+]=N[C@H](c2cccc[nH+]2)N1/N=C/c1ccc(Cl)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180496", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1CN(Cc2cccc(OC(F)F)c2)C(C)(C)CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132716", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(CCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194450", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc([S@@](C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "415", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C=CCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8919", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)N1CCCC[C@@H]1C[NH+](C)CCO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152928", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)CS(C)(=O)=O)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231626", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)OC(=O)N1CCC(NC(=O)Cc2ccc(F)c(F)c2)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211097", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CCC#N)C(=O)c1cc2ccc(OC)cc2[nH]1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136977", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC(=O)Nc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97199", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103170", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc([N-]S(=O)(=O)c2cc(N)cc(Cl)c2F)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228554", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccncc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45067", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=c1[nH]c([O-])nc(/C=C/c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70911", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NC(CO)(CO)CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132153", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule N#Cc1cc(-c2nc(-c3ccccc3)cs2)c(N)nc1SCC(=O)N1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62232", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2C)cc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191216", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(CS[C@H]2[NH+]=c3ccc([N+](=O)[O-])cc3=[NH+]2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14176", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nc2ccccc2n1CCC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65676", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Nc1nnc(SC(Sc2nnc(N)s2)C(=O)c2ccccc2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45225", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)N(CCO)c1ncnc2c1CCCCC2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137122", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(COC(=O)c1ccnnc1)Nc1ccc(C(F)(F)F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1202", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3718", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53994", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H](Nc1ccc2[nH]ccc2c1)c1cc(F)cc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249345", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184759", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C(=O)NCC(F)(F)F)sc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69712", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCN(Cc1cccs1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201751", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193525", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)oc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200105", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COC[C@H](O)C[NH+]1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208940", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cncc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199067", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206561", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109390", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1nn(CCO)c(C)c1C[NH+]1CC[C@@H](C)C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26947", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nnc2ccc(Nc3ccc4c(c3)N(C)C(=O)CO4)nn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204258", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)[C@H]1C=CNC(=O)[C@@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200954", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(Br)cc(C)c1NC(=O)c1ccc2cc[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16077", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C=CCN1C(=O)[C@]2(c3ccccc31)[C@H]1CCCC=C1C(C#N)=C(N)C2(C#N)C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197860", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49847", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nc(CN2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)n[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205852", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236787", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2OCC)c(OC)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167660", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1nc(C(=O)N(C)OC)cc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159413", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)N1CCC([NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164767", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103431", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125772", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5079", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc([C@@H]2CCC[NH+]2Cc2ccc(S(=O)(=O)N(C)C)o2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9512", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C)CC2)CC1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "985", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72355", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(Nc1ccccn1)c1ccnc(OC2CCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173289", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124897", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42863", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COC1(NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC(=O)C=C1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22017", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule N#Cc1ccc(-c2cn3cccnc3n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98850", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOc1cccc(NC(=O)NCCNC(=O)c2ccccc2Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30896", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)c2cccs2)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237726", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCN1CCc2ccccc21)[C@@H]1CCC[NH+](C2CCOCC2)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36676", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)c(F)c3)sc2c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34634", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CCc1ccccc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216102", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1[nH+]ccn1C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192574", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1Cl by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179694", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cscc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1081", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C/[NH+]=C(\\NCc1cccc(C)c1)NCc1ccc(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17030", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)(C)Oc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74616", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=[S@@](Cc1nc(-c2ccsc2)no1)C(c1ccccc1)c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62156", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc(Br)cc1)c1ccc(CSC2=NCCS2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180602", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C1CCCN1CCN1CCCc2c1cccc2[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162064", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC1=CC2=CC=N[C@@H]2C=C1)[C@@H]1SNN[C@@H]1c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149118", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84412", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1ccc(-n2ncc(CNCCc3ccccn3)n2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211645", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C(C)=O)cc3)nc12 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42090", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCn1nc(C)cc1NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174650", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238952", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C/C(=N\\c1ccc(C)cc1)c1ccc(O)cc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129792", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1C[C@@H]2C[C@H]1[C@H](C(=O)[O-])C2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148145", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153988", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208626", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NCCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214529", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN[C@]1(C#N)CCC[C@@H](OCC)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179398", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1csc(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58035", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82559", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1cc2c(cc1C[NH+]1C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C1)CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45557", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(C)cc1NC(=O)C[NH+](C1CC1)[C@H](C)c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214838", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[NH+](Cc1nc(-c2ccc(Cl)cc2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243955", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230832", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCC(=O)N1CC[C@@H](C(=O)O[C@@H]2C=C(c3ccc(Cl)cc3)CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46002", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1(C)CCN(C(=O)C2(C(N)=S)CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212151", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(=O)c1ccccc1OC(F)(F)[C@H](F)Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176967", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(Br)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188047", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](Nc1nncc(-c2ccccc2F)n1)c1nc2cc(C)ccc2[nH]1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31090", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)(C)[NH2+]C[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229391", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20981", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@@H](C)[C@H]1NC(=O)CN(c2ccc(Cl)c(Br)c2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111569", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209526", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ncc(C[NH2+]CC2CCC(C(N)=O)CC2)s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65423", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ccc(NC[C@H](C)C(N)=O)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108443", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149489", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCc1noc(C)c1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143696", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131570", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)C1=C(C)C(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)=N[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232605", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COCC[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)nn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110830", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc([C@@](O)(CC(=O)N(C)CCc2ccncc2)C(F)(F)F)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202352", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156525", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243961", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC[C@@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1sccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78662", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[C@H]1CN(C(=O)Nc2ccc(CC)c(F)c2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137024", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(OC)c2[nH]c(C(F)(F)F)nc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32370", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146115", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC/C(=N\\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74852", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH2+][C@](C)(CCN1C[C@@H]2CCC[NH+]2C[C@@H]1C)C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181448", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1F by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191394", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCSC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c(C)noc1C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32859", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCOc1ccc2nc(NC(=O)C[NH+]3[C@H]4CC[C@@H]3CNC(=O)C4)sc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7477", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)c1ccc([C@H](NC(=O)N(C)C2CCS(=O)CC2)C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59467", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Clc1ccc2nc(NC3CCCCC3)sc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98335", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC1=NO[C@@H](CNC(=O)c2ccccc2F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107872", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCn1c(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18219", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=[N+]([O-])c1cccnc1N1CCC2(CC1)OCCO2 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128161", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C=CCONC(=O)Nc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101492", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(Cl)c(Cl)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83902", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(C[NH+]1CCC[C@H](O)C1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206162", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C[C@H]1CCCO1)C(=O)c1cnc2ccc(C)cn12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84475", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H](O)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92026", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)O2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62563", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)(CCO)c1cc(Cl)sc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37573", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[NH+]1CCC[C@H]1CN(C)C(=O)c1ccc(NC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201013", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1ccc(NC(=O)C2CC[NH+](Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81884", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule N#CC1(NC(=O)C[NH+](CCc2ccccc2)[C@H]2CCOC2)CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184262", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37366", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2=O)CS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221443", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+][C@@H](Cc1cccc(Br)c1)[C@@H]1CSCCS1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187598", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "757", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)c1ccc([C@@H](O)c2cscc2C)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45404", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc2c1OC[C@@H](NC(=O)Nc1cncc3ccccc13)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157997", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(NC1CCC(c2ccccc2)CC1)C1C[C@@H]2CCC[C@H](C1)C2=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116282", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(F)ccc1F by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103667", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243097", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCC[C@@H]2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119794", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@H](Cc1ccc(Br)cc1F)[C@H](C)[NH2+]C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22649", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)o3)cc2c1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173222", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cccc[n+]1[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111597", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1ccc(OC)c(NC(=O)c2cc(C)n(C3CC3)c2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247284", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)CCCC3)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176376", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38484", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc(OCCn2cnc3c(oc4ccccc43)c2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244341", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CN(Cc1ccc(F)cc1)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17315", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cc2c(cc1Br)OCCO2)c1cc([N+](=O)[O-])ccc1Cl by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102801", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cnc(-c2cccc(NC(=O)NCCCC[NH+]3CCC[C@@H](C)C3)c2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51103", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)(O)c1ccccc1C(C)(C)O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198511", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC(N)=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154604", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nncn1CCNC(=O)N1CCNC(=O)[C@@H]1C(C)C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192604", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule N#CC1(C(=O)OC[C@H]2CCCCO2)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219971", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242839", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163830", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cc(C)c(O)c(C(=O)Nc2ccccc2N2CCOCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2065", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39677", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(CSc1ccncc1)Nc1cnc(-c2ccccc2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167553", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1nn(C)c2sc(C(=O)Nc3ccnc4ccnn34)cc12 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162976", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80267", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH+](C)C1(CNC(=O)CNC(=O)N2CCc3ccccc3C2)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144512", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171146", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225226", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nc(C2CCN(C(=O)N[C@H](C)c3ncc(C)s3)CC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86495", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171844", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[NH2+][C@H]1CCN(c2cccc(C(C)C)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208946", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1COC[C@@H](C)N1Cc1ccc([N+](=O)[O-])o1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126738", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H]1CCCN(C(=O)NCc2ccc(C#CC[NH3+])cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81832", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H]1Cc2cc(F)c(F)c(F)c2[C@H]1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223966", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(C#N)cc4)nnc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173301", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@]1(O)CCC[C@@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15724", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114796", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1[C@H]2CC[C@@H]1CN(C(=O)CCCOc1ccc(Cl)cc1)CC2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164807", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1c([C@@H]2CCC[NH2+]C2)nn(Cc2ncccn2)c1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77223", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45069", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C#CCCN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8542", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Cl)Oc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233723", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H](CO)[NH+]1CCN(Cc2cccc(F)c2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231108", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H](c2ccccc2)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206418", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](O)c1ccnc(S[C@@H]2CCC[C@@H](C)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119894", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)C[C@@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231844", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(c1ccccc1)C1CCN(C(=O)c2c(O)cccc2O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138438", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91261", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1nnc(-c2ccncc2)s1)c1cc2c(ccc3ccccc32)oc1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180966", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(Br)cc(CN(C)CCc2ncc(C)s2)c1O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201198", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202487", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@@H]1c1cccc(F)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15087", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)(C)[C@@H](CS)C[NH+]1CCN(c2ccccc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1349", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)Nc1cccc(F)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192366", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CSCc1ccnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217387", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1O by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38106", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(CC(=O)NCc2cc(C(C)C)no2)ccc1C by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240397", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202083", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](OC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97275", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(c1ccc(O)cc1)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53061", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1cccc(N2CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233105", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244622", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(C)N1C[C@H](C(=O)N2CCC(N(C)c3ccccc3)CC2)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117275", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C#CCNC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145884", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Cc1ccc2ccccc2c1)N1CCN(c2nc3ccc(F)cc3s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217164", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[NH2+][C@H]1CCC[C@H]([NH+]2CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159788", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138837", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cccc(O[C@H](C)C(=O)Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172576", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Cc1ccc(OCc2cn3cc(Br)ccc3n2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129006", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156628", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131882", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)n1c([C@H](C)CC)nc2cc(C(=O)[O-])ccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38881", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)Nc1cc(C)on1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217498", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(NCCC(=O)N1CCCCC1)Nc1cccc(N2CCCCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41648", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(C)c2c(c1)/C(=N\\NC(=O)[C@@H](C)SCc1ccccc1)C(=O)N2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145186", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH+]1CCCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227320", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77431", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Oc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176130", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1cc(NC(=O)c2cnc(C)cn2)ccc1NC(=O)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99764", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(OCC(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157901", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80283", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200946", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOCC(=O)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98613", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc2[nH]cc(C3=CC[NH+](Cc4nc(CC(F)(F)F)no4)CC3)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198429", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(NCCn1cc[nH+]c1)[C@H]1CC=CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10627", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2ncc(C(=O)N3CCCN(C(=O)C(C)(C)C)CC3)n2c1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50935", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccn1)C[C@H]1CCCO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167912", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCCc1nnc(Cn2nc(-c3ccco3)oc2=O)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150059", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CC(=O)N2CCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226747", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(NCc1cccnc1-n1cccn1)c1cccs1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144049", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COCC1CCN(c2ccc(C#N)cn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136490", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162700", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C1CN(Cc2[nH][nH]c(=O)[nH+]2)[C@@H]2CCCC[C@H]2N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185936", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1cccc2c1OCCCN(C(=O)c1cn3c(n1)C[NH2+]CC3)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72406", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178140", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66726", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1CCN(C(=O)[C@H](N)c2ccccc2)C(C)(C)C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24739", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213469", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@@H]([C@@H]1CCOC2(CCCC2)C1)[C@]1(C)CCCO1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59264", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1CCC[C@](C[NH3+])(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191622", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Oc1ccc(-n2ccnn2)cc1)C1CC=CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42868", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(F)cc(N[C@@H](C(N)=O)C2CCC(C)CC2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136147", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCCCc1ccc([C@H](O)C(F)(F)C(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179028", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108235", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3nc(C)no3)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130136", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193391", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2n[nH]cc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163684", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CCO1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5347", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H](CNC(=O)[C@H]2CC=CCC2)[NH+](C)C)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137385", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237500", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(=O)[O-])cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152157", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#CCN(Cc1ccc(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152034", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-c2cc3cccnc3n2CCC(=O)[O-])cn1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41821", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cc(/C=C(/CO)C(C)C)cc(Cl)c1OC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18104", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227043", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H]1CC[C@@H](C(C)(C)[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](Br)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86356", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cn1cnc([N+](=O)[O-])c1Oc1ccc(C#N)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172686", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56692", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1CC[NH+](CC(=O)Nc2ccc3c(c2)COC3)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14252", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1cncn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76017", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC[C@@H](C)N(CC)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81381", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CN(CCc1cccs1)c1cccc(Cl)c1C=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206674", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91640", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Fc1ccc([C@H](CC(F)(F)F)NCc2ccc3c(c2)OCCO3)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118336", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20776", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CN(C)C(=O)[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174228", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)CCc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73218", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)c1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24753", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42464", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(Cl)c(C)cc1NC(=O)CSC(=S)N(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145457", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58124", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)c1nnc(CCC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165900", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(NCCC1=CCCCC1)N1CCC(n2cncn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165116", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188710", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCCCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199059", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cc(C)c(CNc2ncnc3[nH]ncc23)c(=O)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231640", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89615", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCn1c(SCc2nccn2C)nc2sc(C)c(C)c2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241468", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9805", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(CCNC(=O)[C@H]2C=C3C(=O)[NH+]=c4ccccc4=C3S2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199771", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119163", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nccs2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96887", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)(C)Oc1cc(CNC(=O)c2ccc3nnnn3c2)ccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17214", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@H](NC(=O)NCCOC[C@H]1CCCO1)c1ccc(Cl)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44895", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1c(Cl)cc(CN[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1OC by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236755", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(SCCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205683", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3C(C)(C)C)cc2c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134341", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN([C@@H](C)c2nnnn2-c2ccccc2)C[C@@H](C)O1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234088", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc([C@@](C)([NH3+])[C@H]2CCO[C@]3(CCSC3)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58169", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Oc1ccc(Br)cc1/C=N/c1n[nH]c2ncccc12 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68849", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc2c3c1O[C@H]1[C@@H](O)CC=C[C@@]31CC[N+](C)(C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46260", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2cccnc2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155473", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)c1cccs1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49877", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H]2CCCN2C(=O)N[C@H](CCCO)c2ccccc2)s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182171", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166121", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1cc(C)c(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)c(=O)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124507", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COC(=O)C1CCN(C(=O)[C@@H](C)[NH+](C)Cc2sccc2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114521", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130587", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc(-c2nc3cc(C)ccc3n2C)cc1OCCCC#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57365", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230463", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4541", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H](C)[NH2+][C@H](CN=[N+]=[N-])C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129616", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(Nc1cccnc1)[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20239", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(OC)c(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1OC by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140395", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110726", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215854", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)cc2I)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237904", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOCCSc1ccc(N)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215715", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n(Cc2ccccn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90477", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cnn(CCCCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3736", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118559", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nc(NC(=O)CCc2cc(OC)ccc2OC)sc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190948", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175778", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239970", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21282", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1cnc(CNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237404", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)c1ccc(Oc2ccc(C(=O)NC3(C#N)CC3)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85059", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H]1CCC[C@](O)(Cc2[nH+]c3ccccc3n2C)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169428", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cnc2c(c1)[nH]c(=S)n2CC(C)(C)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4687", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133781", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1n[nH]c(C(=O)Nc2ccc(N(C)C)cc2)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167998", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Oc1ccccc1NC[C@@H](O)Cn1ccc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43598", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123188", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111486", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45835", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@@H](C#N)NC(=O)c1cc(C(C)C)no1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236024", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@@H](CCN1CCOCC1)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196479", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1cc2cc(Cl)ccc2[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219315", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C[C@@H]1[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66129", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc(F)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38911", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32184", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2ccccc2c(=O)n1/N=C\\c1ccc(F)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196920", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164824", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COCC[S@](=O)[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193531", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[NH+](C)CCNc1ccc(C#N)c(N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19705", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)N1CCC([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64929", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203189", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCSCc1ccnc(NC2CCN(C(=O)CC)CC2)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149901", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)c1nc2cc(NC(=O)CN3CCS(=O)(=O)CC3)ccc2o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100946", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncc(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224839", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1Cc2cc(-c3cc(CNC(=O)CCn4cnc5ccccc5c4=O)no3)ccc2O1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53769", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H](CS)C[NH+](C)Cc1ccncc1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25513", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188159", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113565", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1ncnc(N)c1CN1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200480", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134198", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H](NC(=O)CS[C@@H]1N=NNN1c1ccccc1Cl)C1[NH+]=c2ccccc2=[NH+]1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168048", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147503", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227480", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+]1CCN(c2cc(CNc3cccc(C(=O)OC)n3)cc[nH+]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36493", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nnc([C@@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)o1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104980", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CN(C)[C@@H](C(=O)N1CC(c2cccnc2)C1)c1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203946", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1cc(C(=O)N2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11055", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CCCCNC(=O)Cc1noc(CN2CCc3c([nH+]cn3C)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32918", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC(=O)N1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26042", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc([C@H](C)N2CC[NH2+]C[C@@H]2C(=O)N(C)C)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15343", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2nc(N3CCCC3)nn2c(Cl)c1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169268", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179518", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(Nc1ccccc1)Nc1nnc(COc2ccc(Br)cc2Br)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225545", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1c(C)c[nH+]c(CN(C)c2c(C)noc2C)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107277", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC(C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45056", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207764", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210504", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[S@@]1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2372", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cnc(C(C)(C)NC(=O)CCc2c(C)noc2C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104848", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1CNC(=O)Cc1c(C)noc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152818", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1c(Cl)cccc1NC(=O)[C@]1(C)Oc2ccccc2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32236", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule COc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148420", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNC(=O)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148296", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)(C)[C@@]1(CCCc2ccccc2)CCC[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81410", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)[C@@H](C)[NH+]1CCNC(=O)C1)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72459", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=S(=O)(C(N=C(Cl)Cl)=C(Cl)Cl)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100168", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Br)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119519", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)[C@H](F)[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7954", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Cn1nc2n(c1=O)-c1ccccc1SC2)N/N=C/c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50205", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCC(CC)([C@@H](Cc1ccc(O)cc1)NC)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233630", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105941", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(NCC1(O)CCSCC1)[C@H]1C[C@@H]1c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241296", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH2+][C@@H](c1cccc2cnccc12)[C@@H]1CSCCS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214871", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cn1cc(-c2nc(C(=O)OCc3ccc(C#N)cc3)cs2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29853", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ncnc(SC2CCCCC2)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234238", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)Cc1cc(C)[nH]n1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143151", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOc1ncnc(Nc2ccc(Br)cc2C)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74774", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCCN(CC(F)(F)F)[C@@H]1CCc2cc(N)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75250", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(-n2cnnc2SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243126", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139986", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1ccc(S(=O)(=O)NC[C@]2(O)CCOc3ccccc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32604", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CCC[NH+](C)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176968", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC1=NN2C(=N)/C(=C\\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168709", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1cccc(C[NH+]2CCN(C3CC3)C(=O)C2)c1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27709", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31300", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nnc(NCCNC(=O)OC(C)(C)C)c(C#N)c1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17114", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1N1C[C@H](C(=O)OC[C@@H]2CC=CC[C@H]2C)CC1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171548", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cc(C(=O)N(CC2=C[C@H]3N=CC=C3C=C2)C2CC2)cc(OC)c1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202076", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102482", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1c(=O)c2ccccc2n2c(CN3CCO[C@@H](c4cccc(F)c4)C3)nnc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221230", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(=O)Nc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229375", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(F)c(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162420", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1700", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)[C@H](NC(=O)/C(=C\\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227564", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1Sc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39835", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1nn(-c2ccccn2)c2c1C(=O)[C@@H](Br)C(C)(C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137323", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@@H]1CCc2ccccc2C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112808", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2cccc(Br)c2)nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144402", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@@H](Cc1cccc(F)c1)NC(=O)N1C[C@H]2CCCC[C@H]2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93831", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1OCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213435", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CN1C(=O)C(C)(C)Oc2ccc([C@@H](O)c3ccco3)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34725", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule c1ccc2c(c1)O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145264", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2cccc(Oc3ncnc(NN(c4ccccc4)c4ccccc4)c3N)c2n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116504", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)Cn1ccnc(NC[C@@H](C)Nc2ccccc2)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154012", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(I)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39006", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[NH2+]C[C@H]1CCCCN1c1nc(Br)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241259", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240493", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(c1cccc(Cl)c1)N1CCN(c2nc(C3CC3)no2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232068", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247988", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Clc1ccc(C2([NH2+]C3CCCC3)CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1278", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@@H]1C[NH+](C2CC[NH+](Cc3ccccc3Cl)CC2)C[C@@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194114", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccc(C(=O)Nc2nc[nH]n2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246511", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186275", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC[C@@]1(C)CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204887", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(C[NH+]2CCC(NC(=O)N(C)C3CCOCC3)CC2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232712", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1n[nH]c(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79082", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCCNC(=O)c1ccco1)Nc1cc(-c2ccco2)ccc1F by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75351", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72860", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule [NH3+]CCCCSc1cc2ccccc2[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244814", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(CN(C)Cc2ncnn2C)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155599", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5262", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(C)c1ccc(C(=O)NCCS(N)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143707", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCCn1cc[nH+]c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191024", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](C)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100883", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)c1cc(NC(=O)CCc2nnc(-c3ccoc3C)o2)ccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6483", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(-c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13463", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@H](NC(=O)c2cccc(OC)n2)c2nccn2C)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239462", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)n1cc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176848", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)(C)n1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2Cl)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58223", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(F)c3)CC1)C2=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99671", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccsc1CNS(=O)(=O)c1ccc(C(=O)[O-])s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31013", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(CC[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71849", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1cccc(-n2c(N)[nH+]c3ccccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186402", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(NC(=O)NCc2cccc(Cn3cncn3)c2)cc1C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2525", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC1=C[C@@H](c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCC2)N=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202963", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205749", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule c1ccc(CC[NH+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106963", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5843", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)C[NH+]1CCC(O)CC1)c1cccc2ccccc12 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196967", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(NCC[NH+]1CCCCC1)N1CCN(C(=O)c2ccoc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169275", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231709", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)N1CCC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49415", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125145", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)N/N=C1\\CCCc2oc(C(=O)Nc3cccc4ccccc34)c(C)c21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64763", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132130", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40722", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN[C@@]1(C#N)CCC[C@@H]1CCOCC(C)C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192601", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42935", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOC(=O)/C=C/COc1ccc(F)cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209647", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NCc1cc(F)ccc1Br)NC[C@H](O)c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33095", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc2c(c1)[C@@H](N[C@H](C)[C@H](O)c1ccc(OC)cc1)CCO2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219707", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CSC[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181329", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N1CCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193290", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOC(=O)CCN1CC[S@@](=O)C(C)(C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54985", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184368", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c(N(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52939", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCCCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72656", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1ccc(-c2csc(NC(=O)COC(=O)C3CC3)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48880", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)(C)OC(=O)N1CC(=CC(=O)NC2CC=CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60930", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CNc1ccnc([C@H]2CN3CCC[C@@H]3CO2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124928", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COCCC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61595", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccccc1C1(CNC(=O)NCc2ccc(C(N)=O)o2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146348", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)NC(=O)C1CC[NH+](C2CCC(C(C)C)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82470", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@]1(CNS(=O)(=O)c2cncc(Br)c2)CCCO1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119609", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)[C@H]1CCCC[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226888", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153687", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1ocnc1Cn1nnc(CN(C)C(=O)c2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132495", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)C1C2CC3CC(C2)CC1C3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60007", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCS[C@@H]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccccc3Cl)o2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200964", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2occ(/C=N\\NC(=O)c3csc4ccccc34)c(=O)c2c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80677", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C(=O)N(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1693", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule c1nc(N2CCC[C@H]([NH+]3CCCC3)C2)c2ccsc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15919", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[NH2+][C@@H](Cc1cccc(F)c1F)c1ccc(OC)cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230044", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C=CCN(Cc1ccccc1OCC)C(=O)c1nc([O-])c2ccccc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173226", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN1C(=O)/C(=C\\NCCN2CC[NH2+]CC2)C(=O)N(c2ccccc2)C1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39662", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(C[C@]2(O)CC(C)(C)OC2(C)C)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142823", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)NCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79052", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40487", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158975", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15922", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126461", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H]2C[C@@H](C)N(Cc3noc(C4CC4)n3)C2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131470", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](SCc1cccc(C(=O)N(C)C)c1)c1cccs1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54992", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(Cl)ccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105270", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1(c2nc(C3CCCCC3)n[nH]2)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142709", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)CCC1=C2N=N[C@@H]1c1nc(-c2ccc(OC)c(OC)c2)no1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47533", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)CC1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96095", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88245", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(NC(=O)N2CSC[C@H]2C(=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215660", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139880", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114978", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)[C@](C)(O)[C@H](C)c1cc(F)cc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101517", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc[n+]1CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142177", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43191", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C(=C/C(=O)N1CC[C@@H](C)[C@H](O)C1)c1ccccc1F by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123754", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2cccc3ccccc23)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211891", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152746", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1cc(C(F)(F)F)nn1CC(=O)NN1C(=O)c2ccccc2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164148", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccco2)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144814", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(NCCc1ccsc1)c1cc(-c2ccccc2)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16153", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nc(C)n(-c2ccccc2NC(=O)[C@@H]2COc3ccc(F)cc3C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65561", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCCC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41907", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Nc1nonc1Nc1n[nH]nc1-c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58170", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCn1/c(=N/C(=O)[C@@H]2CC(=O)N(C)C2)[nH]c2ccc(Br)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95464", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1CCN(S(=O)(=O)c2cccn(CC#N)c2=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105010", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(CNC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38331", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1c(C)c[nH+]c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80472", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[C@@H]1CN(C[C@@H](CS)c2ccccc2)CC[NH+]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24040", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)c1ccc(Oc2ncnc(Oc3cccc4cccnc34)c2[N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81645", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1cccc(C[C@H](C)N[C@@H](C)c2cccs2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78304", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(CN2CCC[C@H]2c2noc(C3CC3)n2)nnc1C1CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193376", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75745", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7904", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccc(Cc2nc3ccc(OC)cc3c(=O)[nH]2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116235", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(NC(=S)N/N=C(/C)c2ccc3ccccc3c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221203", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44091", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26277", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(NC(=O)Cn2ccc3ccccc32)c(N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111747", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22956", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC[NH+](C)Cc1ccccc1N1CCOCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14123", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)n(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204342", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@@H](CSC1CCCCC1)[C@H]1CCOC2(CCC2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95768", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCOCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223528", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC(=O)CCc1ccc(F)cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8347", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216733", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1CN1CCC[NH2+][C@H](C(C)C)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10631", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](C)CC4=c5ccccc5=[NH+]C4)c(C)c3cc2c1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95356", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COCCNc1ncnc(Oc2cccc3ccc(C)nc23)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182123", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@H]1[C@H](Oc2ccccc2OC)CCC1(C)C by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95643", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C([O-])c1ccc(-n2cnc3ccccc32)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40032", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(C(=O)c2ccc(O)cc2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19466", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#CCc1ccc(NC(=O)CSc2ncnc3sccc23)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222986", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ncsc1C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41229", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(C(=O)OCCCc2nc3ccccc3s2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200868", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOCCS(=O)(=O)N1CCNC[C@H]1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181694", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245143", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Cc1cccs1)[NH+](C)CCn1nc2ccccn2c1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40344", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81212", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCOc1ccc(/C=C2\\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Brc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178843", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(F)cc1NC(=O)/C=C/c1csc(C)n1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133712", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1nn(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c(=O)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240773", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1ccnc(N2CCCC[C@H]2C(=O)[O-])n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93002", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162453", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131175", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60102", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccc(I)c1)c1ccc(CO)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31354", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39654", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccn2c(=O)c(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)cnc12 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233083", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCC(CC)([C@H](O)c1ccc(C)s1)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148947", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)s2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116064", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)C[C@H](O)CNC(=O)Nc1ccc(-c2csnn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219227", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C/C(=N\\NC(=O)OC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153828", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1ccc(OC(=O)Cc2ccc(F)c(F)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82970", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57286", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[NH+](C)C2CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147190", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ncncc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59571", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1nc2ccc(C)cc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157050", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Fc1ccc(C2(C[NH2+]C3CCSCC3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56326", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28568", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(CCC(=O)Nc2c(C(N)=O)n[nH]c2C)ccc1Br by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239103", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NCCCCn1cnnc1)c1c(F)cccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242561", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C#Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61297", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNc1ncnc(Nc2ccc3c(c2)OCO3)c1N by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160801", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COC[C@H](C)NC(=O)Nc1cccc(SC(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110652", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(OC)c(OC)cc1/C=C1\\N=C(c2ccc(C)c(C)c2)OC1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223037", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCCNc1nc([C@@H]2CSCCS2)nc2sc(C)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188605", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2c(CC(=O)N(C[C@H]3CCCCO3)C(C)C)c[nH]c2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62468", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)(CNC(=O)[C@H](C[NH3+])Cc1ccccc1)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134870", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81712", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccccc1-c1cc(=O)[nH]c(N2CCN(c3ccc(F)cc3)CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174450", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H]1CCCC[C@@H]1OC(=O)CC1CC[NH2+]CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38900", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2ccc(NC(=O)C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2o1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104059", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1n[nH]c(C)c1N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168577", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(CC)(CC(=O)Nc1cccc(Br)c1)C(=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164833", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48788", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nc2sccn2c1CN1CCO[C@H](c2ccccc2Cl)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62911", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=[N+]([O-])c1c(C(F)(F)F)nn(-c2ccc(Cl)c(F)c2)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96785", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC(=O)N(C)c1ccccc1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4561", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1cc([C@@H](C)Nc2ncncc2N)c(C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154394", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14740", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1)CC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30042", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)N(C)Cc1ccccc1NCC1CC[NH2+]CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236726", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+](C)Cc1cc(C(=O)OC)sc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67074", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[NH+](C3CC3)C2)ccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57807", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216879", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(NC(=O)C[NH+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97800", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144184", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nn(C)cc1NC(=O)CCNS(=O)(=O)c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171986", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC(C)(C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108558", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)O[C@@H](C)c1nc2ccc(C(=O)[O-])cc2[nH]1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191616", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)c1noc([C@@H](C)SCCOc2ccc(F)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204029", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccccc1[C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-] by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89671", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(CC)(CNc1nccc(C(F)(F)F)n1)S(C)(=O)=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77093", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCCc1nc2sc3c(NCCN4CCOCC4)nc(SC)nc3c2c2c1CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96430", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc([C@@H](C)[NH2+]Cc2ccccc2Cl)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68396", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCc1nn(C)cc1C(=O)NC[C@@H](C)Cn1nc(C)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114897", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CO[C@H](C(=O)Nc1cccc(-c2ccnc(C)n2)c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11161", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(C[NH2+][C@H]1CCCN(c2cccnn2)C1)N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228599", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nc2c(s1)[C@H](NCc1ccnc(OC3CCC3)c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80581", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C1N[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)CS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174791", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1CCc2cc(OC(=O)/C=C/c3ccccc3OC(F)F)ccc2N1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10069", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5219", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177657", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1N1C(N)=[NH+]C[C@@]1(C)c1ccccn1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102284", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226712", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117272", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](NCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148579", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58517", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Fc1ccc(C[C@H]2CCCC[NH2+]2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125187", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNC1(C#N)CCC(C)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173898", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1772", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)nc(C)[nH+]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46042", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1cc(C)c(CN2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195467", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(NC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)ccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186574", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196451", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(C[S@](=O)c1cccc(F)c1)Nc1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111351", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH+](CC)CC(=O)Nc1c(C)cccc1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177270", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210384", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)[C@@H]1CCC[NH+]1Cc1cccc(OCc2ccc(F)cc2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19483", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102893", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOc1cc(C)ccc1NC(=O)c1nccn2ccnc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119800", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1nc(C(C)(C)C)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127444", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1nc(=O)n([C@H]2CCCOC2)c(CC)c1CC(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153626", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N/C(=N/OC(=O)Nc1csc(-c2cccc(Cl)c2Cl)n1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42416", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)[C@@H]1CCCN(c2cncc(Cl)n2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44286", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(CSCC(=O)Nc2ccccc2Cc2ccccc2)on1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180839", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1c(C)cnc(CNC(=O)N(C)C[C@H](C)O)c1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173913", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)[C@](O)(C(=O)[O-])[C@@H](C)c1ccc2c(c1)OCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205026", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181738", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCn1cc[nH+]c1C1CCN(C(=O)COc2cccc(F)c2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230465", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2ccsc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94180", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CNC(=O)[C@H]1CCCN(Cc2nc3c(s2)C[C@H](C)CC3)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47462", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COCCN1C(=O)C[C@@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(c2ccccc2OC)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107509", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140812", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1CN(C(=O)C2CC2)[C@@H](C)CN1C(=O)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149125", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46616", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H]1CN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120799", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16410", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1cc(/C=C2\\NC(=S)NC2=O)ccc1OCc1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124740", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH+]1CCCN(C(=O)[C@@H]2CN(C(=O)NCc3ccco3)CCO2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231277", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233570", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10304", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(C[NH+](C)C[C@@H]2COc3ccccc3O2)cc(=O)n(C)c1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224856", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(N2C(=O)C(c3c([O-])[nH]c4ccc(Br)cc34)=NC2=S)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185651", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(N)=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223390", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COCCC1(C[NH2+][C@H]2CCOc3c(C(C)C)cccc32)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131064", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200664", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCC(=O)N1CCCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123356", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCC(CC)(CO)NC(=O)Nc1cc(Br)ccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80589", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@@H](NC(=O)c1ccc(F)nc1)c1cccc([N-]S(C)(=O)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15508", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNS(=O)(=O)[C@@H]1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133297", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CSC[C@H](C)C(=O)N1CCN(Cc2nc(-c3ccccc3C)no2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88506", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C2=NO[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]23)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63588", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([C@@H]1COc2ccc(F)cc2C1)N1CCN(c2ccccc2)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155829", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]1Cc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2N1C(=O)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223240", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCC[C@@]([C@H]([NH3+])Cc2cnn(C)c2)(N(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238388", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1cncc(Cc2nnc3n2CCN(c2nccc(C4CCCC4)n2)CC3)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163978", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ncc(CN2CCC[C@H]2c2noc(C3CC3)n2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120502", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]CC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17765", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H](NC(=O)Nc1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105066", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CN(C)C(=O)N[C@H](C)COCC(C)C)s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37995", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccncc3C)nc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13893", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCS[C@@H]1CCCCN(C(=O)NCCCCn2cc[nH+]c2C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225793", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCc4ccccc4C3)CC2=O)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140970", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17102", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11981", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1c(C(=O)NCC(=O)NCC(C)C)cnn1-c1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47176", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(C1CC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216532", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235188", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@@H](C)CC by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81881", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nc(C[C@@H]2CCC[NH+](Cc3cnc(C)n3-c3ccccc3)C2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73274", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(=O)Nc1ccc(NC(=O)CN2C(=O)C=C(c3ccccc3)Nc3ccccc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163274", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC1(Cc2ccc(Cl)s2)C[NH2+]C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16513", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1sc2nc(S)n(Cc3cccs3)c(=O)c2c1-c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107966", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(F)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53847", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)c1ccc2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86618", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165539", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195723", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc2c(cc1C)/C(=C/C(=O)[O-])CO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114220", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133479", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CNC(=O)c1nn(CC(=O)N(C)[C@@H](C)CC(C)C)c(=O)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154181", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)n(-c2cncc(NCCCc3ccc(O)cc3)n2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245753", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COC(=O)c1nn(-c2ccc([O-])nn2)nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100212", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23707", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccncc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249439", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C(C)(C)CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104421", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248485", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C/C(=N\\NC(=O)CNc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18772", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143603", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cn1c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127146", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C)n(-c2ccc(C(=O)N(C3CCCC3)C3CC3)cc2)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45219", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](O)Cc2ccccc2)c1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211218", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174768", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(-c2nc(CC(=O)NC3CCCCC3)no2)c(C)n1C1CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191768", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(CCc1cccs1)c1cc(Br)cc(F)c1C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228288", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46077", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1ccc2c(-c3ccccc3)c(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)oc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53806", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@H]1CCCN1CCc1nc2ccccc2c(=O)[nH]1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96511", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCCc1c(-c2ccc(Cl)s2)n[nH]c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54521", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccsc1CNS(=O)(=O)Cc1cccc2cccnc12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185100", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)CN1C(=O)/C(=N\\NC(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244293", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSC[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122680", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174141", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN1CC[NH+](C[C@@H]2C=NN=C2c2ccc3cc(OC)ccc3c2)[C@@H](C)C1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75930", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CO[C@@H]1CCCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242728", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1c(F)cccc1O[C@@H](F)C(=O)[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139647", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1COCCO1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142667", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cc2c(cc1CSCc1nnnn1-c1ccccc1)O[C@H](C)C2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25287", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182927", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1nccs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174928", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(CC(C)C)c3C3CC3)cc12 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153875", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C2CC2)n[nH]c1NC(=O)c1cc(C#N)cn1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69478", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3Cc3cccnc3)c(=O)n2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105499", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21174", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(CN(C)S(=O)(=O)N[C@H](C)c2ccccc2C)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49236", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1nnc(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13003", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54570", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(NC(=O)C[NH+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85461", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H](NC(=O)c1n[nH]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179018", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)C1CCCC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220372", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126530", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)[C@H](C)N(C(=O)NCc1cn(-c2ccccc2)nn1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160766", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC(F)(F)F)c1ccc([C@H](C)[NH2+]C)c(O)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14052", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cc(F)ccc1NC(=O)c1cnn(-c2ccncc2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216443", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2208", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2611", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(N[C@@H]1CCc2[nH]ncc2C1)N[C@@H]1C[C@H]2CCCc3cccc1c32 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231700", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1c(CNC(=O)C2C[C@H](C)O[C@@H](C)C2)oc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219144", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nc(C)c(C(=O)N2C[C@H](C)CCC[C@@H]2C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95544", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=CCn1c(S)nnc1-c1ccc(C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14164", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100321", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H]1C(=O)N(C[C@@H]2CC[C@H](C(=O)NN)O2)C(=O)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4108", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103528", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)o1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94522", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92321", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)[C@@H](C)CN(C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107058", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21383", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(N/[NH+]=C\\N1CCCc2ccccc21)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232415", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218223", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCc1nnc(CN2CCO[C@@H](CNc3cccn[nH+]3)C2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215653", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cnn(C[C@@H](C)[NH2+]CC(C)(C)C)c1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137759", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule [NH3+][C@H](CO)c1ccc(N2CCOCC2)c(Cl)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "729", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C=CCN1C(=O)/C(=C\\NC23CC4CC(CC(C4)C2)C3)C(=O)NC1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231523", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87645", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108527", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[C@]1(C)Cc2nc3sc4c(=O)n(CCc5ccccc5)cnc4c3cc2CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67790", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC1(C)Cc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106929", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)OC(=O)N1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181498", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC[C@H]1COCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "336", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101897", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS[C@@H](C)c1cccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75338", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1CCC[C@H](NC(=O)NC[C@@](C)(O)c2ccco2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96455", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(c1ccc2nccnc2c1)N(C[C@H]1CCCO1)c1nc2ccc(Cl)cc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183789", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CCNC(=O)C(=O)NCC1(c2ccccc2OC)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219362", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])C[C@@H](Br)C(=O)c1ccc2c(c1)CCC2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146379", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(NC(=O)NC2CC2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223493", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc(C)n(-c2cc(Cl)ccc2-c2cncnc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23431", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1csc(=O)n1CC(=O)Nc1ccc(N)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38319", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75211", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6656", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249434", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196940", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S1(=O)CCC(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34580", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1oc(-c2cccs2)nc1CC(=O)N1CCNC(=O)[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112750", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)c1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20826", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cn1ccc(NCc2cc(=O)n(C)c(=O)n2C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99258", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule FC(F)(F)c1cc(-c2ccc(Cl)nn2)cc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96665", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1CC[NH+](C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47314", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCCC[C@@H]1c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115104", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@@H]32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152500", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138327", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCNC(=O)N1CCN(Cc2ncc(Cl)n2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50194", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1NCCN1[C@@H]1CCCN(c2nc3ccccc3o2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72922", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64772", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C=CCOC(=O)c1s/c(=N\\C(=O)[C@H]2Sc3cc(C)ccc3[C@H]2Cl)[nH]c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242112", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)nc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131621", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1N1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30059", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cl)s2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56584", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1ncsc1CNC(=O)N(C)[C@H](C)Cc1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78929", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CN1C(=O)C[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132639", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc([C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59552", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nc2ccc(NC(=O)NC[C@H]3CCCN(c4ncccn4)C3)cc2o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194488", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc2c(c1)CCCN2C(=O)NC[C@H](C)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56029", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule OCC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92598", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)n1ccc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151677", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@]1(CO)CCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235193", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89584", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1c(C[NH+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cnn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70350", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2c(C)nn(-c3ccccc3)c2/N=C/N2CCOCC2)cc1OC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164852", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1ccc(O)cc1)C(=O)Nc1nc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97914", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62464", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COC(=O)c1nn(C[NH+](C)Cc2ccc(Cl)cc2)c(=O)c2noc(C)c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150497", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(CCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110829", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nn(C)c2c1nc(N)n2C[C@H]1CC[NH+](C(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154407", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(C)c1CN1C(=O)N[C@@](C)(c2cccs2)C1=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138646", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31179", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100088", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule c1ccc(-c2nn3c(-c4cccnc4)nnc3c3ccccc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127484", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[NH+]1CCCC[C@@H]1CNC(=O)CSCC(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30187", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCSc1cncc(Sc2nnc(-c3cc4ccccc4o3)o2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127695", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(Br)c(COc2ccc(CC[NH3+])nc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58359", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12108", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)CC(=O)C(/C=N/c2ccc([N+](=O)[O-])cc2)=C([O-])C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182850", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH+](C[C@@H]1Cc2[nH+]c[nH]c2CN1)C[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40436", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)C1(NC(=O)[C@@H]2CCCc3sccc32)CCSCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49685", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1nc(C)n(C[C@@H]2CCC[NH+]2Cc2nc(C3CC3)no2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28398", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ncccc1Oc1ccc(C[NH3+])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229490", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(c1cc(Br)ccc1Cl)N1CCC(C(=O)N2CCCCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222147", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)c2c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122082", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccc2nc(SC[C@H](C)/C(N)=N/O)[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132790", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1C(=O)N=C(C)N=C1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202797", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(OCC(=O)O[C@@H](C)CN2CCOCC2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232793", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103499", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)NC1CCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116968", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(CC1=NC(=O)[C@H]2SC=CC2=N1)Cc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144364", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)n1ccc(C/C=C/CCCl)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199123", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nn(C)c(C)c1CCC/[NH+]=C(/N)Nc1ccc2c(c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67898", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172766", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C#N)C(=O)N3)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114218", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cccc(=O)n2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148446", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)sc2C)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7949", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2[nH]cc(CC(=O)Nc3cccc(N(C)C(C)=O)c3)c2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19970", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCO/N=C(/N)c1cccnc1N1CCCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33633", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65597", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(C(=O)N[C@@H](C(=O)/N=c2\\[nH]cn[nH]2)C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77100", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115267", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@@H](C)[C@@H]1CCCC(C)(C)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174829", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(O[C@@H](c1ccccc1)c1nccs1)[C@H]1COc2ccccc2O1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121465", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCOC(=O)N1CC[C@]2(CCC[NH+](C/C=C/c3ccco3)C2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81313", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C1CN([C@@H]2CCCS(=O)(=O)C2)C(=O)[C@@H]2CCCCN12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174176", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(Cn2c(CNC(=O)c3ccc(OC)cc3)nc3cccnc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125238", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCCO2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30697", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(C)C(=O)Sc1ccc(COc2cccc(C(=O)N(C)C)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110316", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206923", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(NCc1nncn1CCc1ccccc1)c1cccc(-n2cnnc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112848", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C)n2c(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)nnc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214673", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCCC(C)(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83813", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH2+]Cc1ccnn1C[C@@H]1C[C@H]2CC[C@@H]1C2 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112580", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NNc1cc(COCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249035", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(Cc1nnc(C2CC2)n1C)C(=O)CCc1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20880", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166013", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159654", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=c1ccc(-c2ccc3c(c2)OCO3)nn1C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81764", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H]([NH2+]Cc1cccs1)c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166916", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1cccs1)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100399", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)sc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14431", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc2c(-c3ccccc3F)nc(Cl)nc2s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192639", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1nc(C)c(Cl)c1C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202862", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc([C@@H](Cl)Cc2nc3ccccc3o2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244687", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174617", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1noc([C@@H](C)[NH+]2CCC(CO)CC2)n1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188062", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134306", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)C[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220569", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1Cc1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158822", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C1[C@H]2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3921", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ncnc(N2CCC[C@H]2C2CCCC2)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48774", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1=S by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99626", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)Nc2cccs2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72116", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@H]1c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12926", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)OC)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100166", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1C[C@@H](O)[C@@]2(C)C(C(=O)[O-])=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5814", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccn2cc(C(N)=O)nc12 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11048", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1[nH+]ccn1CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11082", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC(=O)CN1C[C@@H]1C(=O)OCC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184416", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cccc(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215321", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#CCNC(=O)C[NH+]1CCCC[C@H]1[C@@H]1CCCC1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52099", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(NC(=O)CCOC2CCOCC2)ncc1Br by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207794", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(=O)Nc1cccc(-n2cnn(CN3CCO[C@H]4CCCC[C@@H]43)c2=S)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69761", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247852", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221810", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](OC(=O)C1=NC=C(Br)C1)C(=O)C1=c2ccccc2=[NH+]C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133775", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC1CC[NH+](CCNC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178435", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(C)c([C@H](O)CN2CCN(CC(=O)NC(C)C)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236010", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Clc1ncccc1OCc1coc(-c2cccs2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3872", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58332", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(C)ccc1NC(=O)C(=O)NCCc1ccccn1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32047", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C([O-])[C@@H]1CS[C@H](c2ncc(-c3ccccc3)s2)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120554", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1c(C(=O)N(C)CC(F)(F)F)nnn1-c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159764", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72052", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1csc([C@H](C#N)C(=O)[C@H]2Cc3ccccc3S2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118337", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175207", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79341", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169138", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)OC(=O)c1cccc(-c2ccc([C@H]3[NH2+][C@H](C(=O)[O-])C(C)(C)S3)o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4405", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Nc1cccc2c(Cl)ccnc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120095", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244107", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(C)(C)c1cnc(S[C@@H]2CCCC[C@H]2O)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157429", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH+]1CCC([NH+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78467", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34078", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5674", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc2c(c1)COC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165440", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H](C(=O)[O-])N1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218925", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule OCCC[NH+]1CCN(c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65733", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)C[C@H]1C(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192269", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COCc1ccccc1/C([O-])=N/S(=O)(=O)c1ccc2ccccc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134310", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)C(C[NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84714", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1cc(C=O)c([N+](=O)[O-])cc1OC[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37154", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)OC[C@@H](O)CI .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91271", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12446", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C=CCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183536", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](NC(=O)Cc1cccc(F)c1F)C1(N2CCOCC2)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204012", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1nc2n(c1=O)CC[NH+](Cc1nc(CCc3ccccc3)no1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52487", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(c2nc(-c3ncccn3)no2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38824", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC1CC[NH+](C[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91668", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1ccc(OCC2CC2)cc1)N1CC(O)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92027", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111698", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC1CCC(NC(=O)C(=O)Nc2ccccc2C[NH+]2CCCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58292", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CSC(=O)N2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215884", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H]1CC[NH+](Cc2ccc(C(=O)[O-])cn2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224014", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Clc1ccccc1-c1noc(OCc2cccnc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228926", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151446", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1nccs1)[C@@H]1CCC[NH+]1Cc1ccc(F)c(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97146", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ncccc1C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40768", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1csc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80750", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51001", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CCC2(CCCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38313", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1O[C@@H]2C=C[C@@H]3OC(=O)[C@@H]4C=C[C@H]1C4C32 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169272", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@@H](C)[C@H](C)NC(=O)Nc1ccccc1-n1nc(C)nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5325", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule NNC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160139", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule NC(=O)COc1ccc(NCc2cc(Cl)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180481", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191348", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175515", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)=CC(=O)Nc1ccc(C(=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62559", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)cc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174192", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1nccnc1N1CCC2(CC1)c1[nH+]c[nH]c1CCN2CC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61092", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1n[nH]c(-c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C3CC3)cc2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88627", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169939", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177407", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNc1ccnc(N2CCC([C@@H](O)c3ccccn3)CC2)n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102401", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9180", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)COC1CCCCC1)c1cccc2ncccc12 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209495", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nn(C)c(=O)n4-c4ccccc4)C3)CC2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103245", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53907", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1nc(SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c2c(C)c(C)sc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6727", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164338", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1c(CN[C@H](CC(C)C)C(=O)NC)nc2ccccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150516", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(C[C@H](c1cccs1)n1cccc1)NCc1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162685", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CC(C)(C)CCN1CC[NH2+]CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126009", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Cc2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31860", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Fc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5)nn34)[nH]n2)cc1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30825", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccn2cc(CC(=O)N3CCC[C@@H](n4cc[nH+]c4C)C3)nc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132018", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202922", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCO)c1ccc(Oc2nnc(-c3ccccc3)s2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85096", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229046", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13141", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@@H](CC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235817", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(=O)oc2cc(OCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148132", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186448", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(C)c(CC(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110056", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)CCN2C(C)=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196475", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@@H](C)[C@@H](O)[C@](C)(O)[C@H]3O)ccc(O)c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163445", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1222", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(F)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225430", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=Cc1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28110", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72762", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128940", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)[C@@H]([NH3+])[C@H](C)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67848", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nnc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235245", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)c1ccc(N2CCN(CC(=O)N3CCNC3=O)CC2)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16313", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](Cc1nnc(SCC(=O)c2ccc(F)cc2)o1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100255", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccccc1C(=O)N(C)[C@@H](C)c1ccccc1F by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195095", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)c1ccc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81389", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C(=O)c2ccccc2Cl)c(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94403", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106708", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111278", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)c1ccc(C(=O)/N=C2/N=N[C@@H](c3ccco3)S2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195778", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#C[C@H](C)OC(=O)[C@H](C)c1ccc(OC)c(OC)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89297", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)Nc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196548", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule OCCN1CC[NH+](C2CCN(C3CCCCCC3)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140912", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41316", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133539", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)[N-]CCc2c[nH]c3ccccc23)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76411", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26925", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)c1ccc(C)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5562", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOC(OCC)[C@@H](O)[C@H]1CCCC[C@@H]1CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40363", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]C[C@@H]1CN(C(=O)N2CCCCC2)CCO1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88361", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H](Oc1ccc(/C=C\\C(=O)c2ccccc2)cc1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156859", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192683", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C1[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231970", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(COc1ccc2ccccc2c1Br)NC[C@H]1CCCO1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108483", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86893", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1c(C(=O)OCC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72335", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc(O[C@H](C)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1100", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(NCC[C@@H]1CCCO1)c1cc2c([nH]c1=O)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81946", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC[C@H]1NC(=O)N(Cc2c(F)cccc2Br)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148136", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Nc1ccnc(CN(Cc2ccncc2)C2CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44103", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3929", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)cc4)cc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103088", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1cccc(CS(=O)(=O)NCCNC(=O)c2cccnc2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37919", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(NCCNC(=O)c1ccc(F)cc1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146937", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH2+]C[C@@]1(c2ccc(C)c(C)c2)CCC[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20552", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@H](Cc1ccc(CC)cc1)c1cncc(Br)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112276", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(C)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199634", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(C[S@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217816", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2)C(=O)NC(N)=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60607", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ccc(Cn2c(CNC(=O)[C@@H]3CCCO3)nc3ccccc32)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94194", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(N[C@H]1CCCC[C@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158885", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90526", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1C[C@H](c2cc3c(cc2Br)OCO3)c2ccc3ccccc3c2N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117686", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248300", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCn1cc(CN(C)C(=O)CCn2cc(C(=O)[O-])cn2)c(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97313", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1cc(C)n(-c2cccc(CC[NH3+])c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210983", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=Cc1ccc(N2CCN(c3ccc(C=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21075", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1C[C@H](OCCOCCS)CC[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172189", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCS(=O)(=O)c1nc2ncc(Cl)cc2s1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79850", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183837", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45209", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(/C=C/c1ccc2ncccc2c1)c1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172191", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC(CC)(NC(=O)C[C@@H]1CCC[NH2+]C1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18662", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1cc(CNC(=O)Nc2ccc(F)cc2Cl)ccc1OCCO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25257", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1nccc(N(Cc2ccccc2)[C@H](C)CCO)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108112", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[NH2+]C1(CCNCc2sccc2C)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90289", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239368", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@@H](/C([O-])=N/S(=O)(=O)c1cccc(OC)c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203759", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCN(Cc1ccccn1)C(=O)C1CCC(C(=O)[O-])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178471", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N/N=C\\c1cccc(O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59377", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1c([C@@H]2CCCN2Cc2c(F)cccc2Br)cnn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164953", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)o2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219194", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157229", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1NC(=O)C2(CC(C(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)N1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182705", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1oc(C(=O)N(C)c2cccc(C(C)C)c2)cc1S(=O)(=O)N(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138446", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)C[NH+]3C[C@@H](C)C[C@@H](C)C3)cc2)co1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64707", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2472", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule NC(=O)NC(=O)OCCCN1CCc2ccc(Br)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40288", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237800", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)C(=O)NCCN1C(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101106", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C1NC2(CCCCCC2)C(=O)N1Cc1c(Cl)cccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120090", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc(CN(C)C(=O)C(=O)Nc2ccccc2F)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33264", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CNc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc(O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141652", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccc(NC(=O)[C@@H]2N=NC3=C2CCc2ccccc23)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164712", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CC=CCC2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88806", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](c1ncccc1C)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171459", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nnc2n1CCC[C@H]2NC(=O)c1ncoc1-c1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183579", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C)CC2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208382", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nc(C(=O)NC2C[C@@H]3CCC[C@H](C2)[NH+]3C)n[nH]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38784", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Nc1ccccc1C(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)C1=CSCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190350", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(N(C)C(=O)c2cc3ccc(C)cc3[nH]2)cc1OC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51151", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)NCC2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42310", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)COc1ccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236048", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155886", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccn(Cc2cccc3cccnc23)n1)[C@@H]1CCCO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78035", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(CC(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13861", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+]Cc1cncc(N2CCC[C@H]3CCC[C@@H]32)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88193", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(C)nc4c32)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179612", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccccc1C(=O)NNC(=O)[C@@H]1CC=CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148329", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1[nH]ncc1CCCNc1ncnc2cc(F)c(F)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186319", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CCNC(=O)[C@H](C)SCc1ccc(-n2cccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8795", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COCc1ccc(C(=O)NC(c2cccs2)c2cccs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133324", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c(Br)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39120", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCS(=O)(=O)[N-]c1ccc2c[nH]nc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6353", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)C(F)(F)F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "314", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C)c([C@H](C)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)s1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152047", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134905", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)([C@@H]([NH3+])CC1CC1)[NH+]1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35648", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(=O)C1=C(C)C(C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)=N[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215873", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(S(=O)(=O)CCCn2c3c(sc2=O)C[C@H](C)CC3)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80261", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCO)C3=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170515", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=c1n(Cc2cccc(F)c2)nc2nc(N3CCCC3)ccn12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234430", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)[C@](C)(C#N)NC(=O)CNc1cc2c(cc1Cl)OCCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73623", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH+](CCC#N)CC[C@H]1CCCC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85274", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36321", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)c1c(C)nn(C)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213238", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc(S(=O)(=O)N2CCN(Cc3nonc3C)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223402", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N[C@@H](C)CC)nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203724", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CN2CCN(/N=C\\c3ccccc3F)CC2)c(C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66770", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112925", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn(Cc2csc(C=O)c2)c(C)c1[N+](=O)[O-] by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48514", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)c1cccc[n+]1[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158394", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)C[NH2+]CCN1C(=O)N1CCOCC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95943", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102368", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)c2ccoc2C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207011", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Brc1cnc(Sc2nc(Cc3cccs3)n[nH]2)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74325", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146422", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[NH2+][C@@]1(CO)CC[C@@H](Oc2ccccc2F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157564", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1ccc(/[NH+]=c2\\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152572", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CC(C(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)O1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228875", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163091", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221993", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC(CC)(C(=O)c1cscc1Br)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132860", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1ccccc1C(=O)NCc1ccnc(OCC(F)F)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39778", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cc(N(C)C)ccc1NC(=O)C[C@H]1SC(N)=NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196251", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)(C)c1csc(C[C@@]2(C(=O)[O-])C[C@H]3CC[C@@H]2C3)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217937", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(C[C@H]1CCCCC[NH2+]1)c1ccc2ccccc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28919", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccn3)n3ncnc3N[C@@H]2C)c(C)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115084", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc(C)no3)sc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159739", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CC1=C(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)[C@H](C)N(C)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152198", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1CC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202014", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)[C@]12CC[C@](C)(/C(=N/O)C1=O)C2(C)C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23718", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC[C@@H](COC)NC(=O)Nc1ccc2c(c1)oc(=O)n2C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245123", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Fc1cc(Cl)cnc1N1CCC2(CC1)OCCO2 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29299", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1ccc(F)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90236", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242333", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH2+]C/C(=C\\c1cccc(C)c1C)C(C)C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225510", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COCCS(=O)(=O)NC[C@@H](O)c1c(Cl)cccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83597", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC[C@H](O)C[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245472", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89943", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc(OC)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16423", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1Oc2ccc(NC(=O)N3CCCC3(C)C)cc2NC1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167196", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC[C@H]1C(=O)NCCN1C(=O)CCCCOc1cc(C)ccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145815", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(C(=O)Cc2cccc(O)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "805", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCCCN1C(=O)CSc1ccc(N)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3273", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule C=COCCC[NH2+]Cc1ccc(Br)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95611", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC[NH+](CC(=O)NCCC#N)Cc1ccc(Br)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236772", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C/[NH+]=C(/NC[C@@H](C)c1cccs1)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177053", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)nc(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206769", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1ccc(-n2ccnc2)nc1)N1CCCC[C@H]1CCc1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228942", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=C(C)CSc1nnc(-c2ccoc2C)n1C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72177", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCSCC[C@@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82612", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CCCCCC3)cc2)CCN1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182966", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COCc1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)ncn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31229", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc(NC(=O)[C@H]2CCO[C@H]2C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82992", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCOCc1ccc(NC(=O)COc2ccc(F)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247087", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCSC1=C(C#N)[C@@H](CC(C)C)C2=C([O-])CCCC2=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105731", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)n1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59610", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc([C@H](CC[C@@H]2CCCCO2)[NH2+]C)c(Br)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6417", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188074", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCC(=O)N1CCc2sccc2[C@H]1C(=O)OC by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27788", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50705", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91092", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1nccn2ccnc12)N1CCC[C@@H]1c1nc2ccccc2s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29056", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(C)c2cc(C(=O)NC[C@@H](C)C[C@@H](C)O)[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110868", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CNC(=O)C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229914", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126967", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2sccc2SC(F)F)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133327", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C)n2nc(C(=O)NCc3nccc4ccccc34)nc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142171", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC1(CC)CCN(c2nc(C)c(C(C)=O)s2)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28434", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31817", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cn1c(=O)c2c(ncn2CCOc2cccc(C#N)c2)n(C)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8329", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)cc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181663", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H]2C(=O)[NH+]=c3ccccc3=C2C)S1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151871", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCN(C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95154", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)C(=O)NCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2848", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc(F)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237899", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CSc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202021", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(C(=O)NC(=S)N2CCN(C)CC2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130062", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(OCCO)N1CCN(C[C@@H]2CCCO2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242178", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)c2ccccc2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20263", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)cc2F)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56708", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72494", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccsc1[C@H](C)[C@H](C)[NH2+]C(C)C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149872", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29178", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule N#C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122305", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCCC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60231", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78989", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@]1(CNC(=O)N2CCC(OCc3ccccc3F)CC2)CCCS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169655", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[n+]1c(/C=C2\\Sc3ccccc3N2C)ccc2cc(C)ccc21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201919", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19787", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)N(C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246307", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH+](C)Cc1ccccc1C/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80279", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218273", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(=O)NCCNc1cc(C)[nH+]c(N2CCCCC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196233", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nccn1-c1cncc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211475", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54626", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NC[C@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230275", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1c(C(=O)NC(C(N)=O)C(N)=O)cnn1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113626", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121985", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC1(OCC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@H]12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99273", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule C[C@@H](NC[C@H](O)c1ccncc1)c1cc(F)c(F)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20368", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(OCCC[NH3+])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133556", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=Cc1c(Cl)cccc1Sc1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135106", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(=O)Nc1ccc(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93648", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108418", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc2c(c1)NC(=O)CO2 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109962", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1ccc([C@H]([NH3+])c2n[nH]c(C)n2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183123", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c(/C([O-])=N/S(=O)(=O)C[C@H]2CCCCO2)o1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142575", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+]C(C)(C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43815", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@@H]1CCN(C(=O)c2ncoc2-c2ccco2)c2ccccc21 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184520", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(CCc1ccsc1)OCC(=O)c1ccc[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136961", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)NCc1nnc3n1CCC3)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126707", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78487", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)Oc1cc(CNC(=O)NC[C@@H](O)C(C)(C)C)ccn1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40327", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC[C@H]1C(=O)N[C@](C)(CC)C(=O)N1CC(C)(C)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100253", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158496", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(c1scnc1C1CC1)N1CCO[C@@H](c2ccsc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9182", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCOC2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71006", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1F by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64716", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)Sc1ccccc1C(=O)N(C)C1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112449", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1cc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc(OC)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21579", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC1(CC)CC[NH+]([C@]2(C[NH3+])CCCS[C@H]2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159960", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14196", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14675", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)C[C@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242267", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CO[C@@H](CO)CN1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216034", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8508", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C=CCn1c(O)nc(O)c([C@H]2[NH2+]CCc3c2[nH]c2ccc(OC)cc32)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93841", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\\c2ccccc2OC)C3=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36006", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78996", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Cc1ccccc1NC(=O)c1cccc2ccoc12)NC1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199799", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198897", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185171", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)cc1OC by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76776", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97773", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule c1ccc(-c2nc(CNc3ccc(O[C@H]4CCOC4)cc3)no2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111883", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150704", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140595", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COCCN1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(-c3cc[nH]n3)o1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50272", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nnc(N2CCCN(c3ncccc3C#N)CC2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64184", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(Cc1ccc(F)c(F)c1)N1CCS[C@@H](c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179899", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)s1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59871", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CSCc1ccnc(N[C@H]2CCc3cc(F)ccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48924", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(C)Oc1ccc(CNc2cnn(CC(=O)N3CCOCC3)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90223", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(NCC#CCOc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175543", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#Cc1cc(F)c(NC(=O)N(C)C[C@H](O)CN2CCOCC2)c(F)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116810", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccccc1-c1ccsc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122493", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[C@H]1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137966", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112802", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccc(/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148020", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C1CCCC[C@H]1[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244636", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)c(C(C)(C)C)n1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194596", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccncc1NCCCOc1ncc(C(F)(F)F)cc1Cl by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225951", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@](O)(C(=O)N/N=C/c1ccccc1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CC[C@@]2(CC(=O)NC(=O)[C@@H]2c2ccc(Cl)cc2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198679", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77827", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2[N+](=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128160", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](O)C[C@H](C)CNC(=O)c1cccc(F)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72639", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1n[nH]c2c1[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18638", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ccc2c(c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123177", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NCCN1CCOCC1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156760", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNC(=O)COc1c(F)cc(CO)cc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99588", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[NH+](CC(=O)NC(C)C)[C@H]1CCCC(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133323", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242419", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COC(=O)NCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204765", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79676", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H]1CCCO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20099", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Oc2ccc(NC(=O)NC3CCC(O)CC3)cc2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126561", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111219", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cc(C(=O)N2CCCC2)cc(NC(=O)CCc2ccccc2)c1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171340", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129360", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219588", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)C=C(C(=O)NCCc1cccc(C(N)=O)c1)CO2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199681", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102122", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4707", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)C(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19197", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64352", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113064", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81295", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc2nc[nH+]c(N3CCN(c4ccc(F)cn4)CC3)c12 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161017", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(-n2c(C)c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])c2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180884", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cnn[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203395", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCc1nn(CC)c(CC)c1C[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225917", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CNC(=O)[C@@H]1CCC[NH+]1CC(C)(C)C(=O)OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11571", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)CC1=NN=C2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205859", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)[C@@H]1C[C@](CC#N)(c2ccccc2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235612", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](O)c2ccccc2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36871", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC1CCN(c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2[N+](=O)[O-])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135363", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NCCc1cn2ccccc2n1)c1nc2c(s1)CCCC2 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87122", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Nc1c(N2CCN(c3ccc(F)cc3)CC2)ncnc1N1CCN(c2ccccc2F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76881", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199423", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc2c(c1)CN(Cc1cnnn1C)[C@@H](c1ccccc1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126073", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)C(=O)N1CC[C@H]2NC(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154225", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCSc3c(F)cccc32)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17217", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nc([C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ncc1C(=O)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195560", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1[N-]S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83067", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1ccccc1F)NC[C@H]1CC[NH+](CC(F)(F)F)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20002", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@@H](C#N)NC(=O)CCOc1c(C)cccc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134107", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccccc2N2CCCC2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73837", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1nn(CCCC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2c1sc1ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33967", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H](NC(=O)CCOc1cccc(C=O)c1)c1ccc(Cl)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167136", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158423", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139115", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCS(=O)(=O)c1ccc2oc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81964", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](OCc2ccccn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206814", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)Nc1cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210806", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nnc1-c1ccco1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174651", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@@H]1c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146571", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Nc1ccc(OCc2nccs2)cc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194393", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194380", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(C(=O)N[C@@H]2N=C3[C@H](CC[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)S2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157704", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192440", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nnnn32)c1OC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165380", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233355", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule [NH3+][C@@](Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137551", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c(C(=O)Nc2cccc([S@@](C)=O)c2)c(C)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186785", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166655", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COCC[C@@H](C)C(=O)Nc1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91097", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COCc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228563", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C)n(-c2ccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2)n1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18611", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(C)CNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27011", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C#CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117132", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](C(=O)NCc1cccc(COC2CCOCC2)c1)[NH+]1CCCCCC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45945", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1ncc2c(N3CCN(Cc4cccc5ccccc45)CC3)ncnc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29330", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2)cc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230540", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CNc1nc(Cc2ccc(OC)nc2)ns1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40546", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1c(N)nnn1CCOc1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235778", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCNC(=O)CNC(=O)NCc1ccc(C)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75373", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193870", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9245", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cncc(NC(=O)C(=O)NCc2ccc(Br)cc2)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19370", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N[C@@H](C)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50485", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24030", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)C=C(C(=O)N(Cc1ccccc1)[C@H](C)CCO)CO2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150027", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CSc2ccccc21 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237383", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[NH+](CC)C(C)(C)C(=O)c1ccc(C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120126", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165592", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Nc1ccccc1)C1CCN(C(=O)c2nc3c(F)cccc3s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32440", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc([O-])c2c(n1)C[NH+](Cc1cccn1Cc1ccccc1F)CC2 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205914", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H]1c1ccc(O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90621", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(C)[C@@H]1C[C@@H](NC(=O)CCN2C(=O)COc3ccccc32)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132967", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CNc1cc(C(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)cc(Cl)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215733", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC[C@H]1C(=O)NC(=O)C[C@H]1C(CC)CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69667", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(/C(N)=N/O)c(SC2COC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82137", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]Cc1cc(F)ccc1CS(=O)(=O)c1cccc(F)c1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204590", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228990", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197741", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ncsc1C[NH+]1[C@@H](C)CC[C@@H]1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10648", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129338", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCCNC(=O)c1cccc(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160558", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(C(=O)NC[C@H]2C(=O)N=C(C)C=C2C)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32780", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1nn(C)c(OC)c1C[NH+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215679", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188660", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77994", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2cc(F)ccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40158", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)[C@@H]2C/C(=N\\O)[C@](C)([NH2+]Cc3ccccc3)[C@H]1C2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159601", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(/C=C/C(=O)N2CCN(c3nccs3)CC2)cs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54827", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80769", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC1=C[C@@H]2C=c3ccccc3=C2C=C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181418", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135082", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Fc1ccc(-c2ccc(/C=N/c3c(F)c(F)c(F)c(F)c3F)[nH]2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211824", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCCC1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161224", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(C[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NCCN1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7196", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(OCC(F)F)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161293", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56797", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCN(Cc2ccncc2)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220742", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2noc(CN[C@@H](C3CCCC3)C(F)(F)F)n2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25144", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138202", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CNC(=O)C(C)(C)CNC(=O)c1cccc(OC)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223707", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nnc(Nc2ccccn2)c2ccccc12 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206807", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)NC2=S)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187128", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=C(C)C[C@@H]([NH2+]CC)[C@@H]1CN2CCC[C@@H]2CO1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200909", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119283", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CN1C(=O)c2ccccc2Oc2ccc(C(=O)NC3CCCCC3)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155518", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccn([C@H](C)CC(=O)Nc2ccccc2F)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17992", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1nnc(C(F)(F)F)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138905", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14292", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)Cc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184246", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C/C(=N\\O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47162", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C(F)(F)F)nc(N2CCN[C@H](C(=O)NC3CC3)C2)c1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120982", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCN(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)[C@@H](C)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172230", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Nc1cc(-c2ccccc2)nn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221425", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(C(=O)CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39815", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCN1C[C@]2(CCC[NH+](Cc3ccc(SC)cc3)C2)CCC1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7071", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51488", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1ccc(-n2c(CN[C@H](C)c3ccc4c(c3)OCCO4)nc3ccccc3c2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112152", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204308", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[C@H](C)N(CC)S(N)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158288", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(O[C@@H]2CCC[C@@]([NH2+]C)(C(N)=O)C2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231783", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116043", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177590", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107751", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(-c2nc(C[NH+]3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45297", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(NC(=O)c2ccccc2F)ccc1-c1ccc(CO)o1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149458", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCNC(=O)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98789", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H]1S/C(=N\\N=C\\c2ccco2)N(Cc2ccccc2C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80367", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133852", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102136", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)nc1[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34180", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ncn(C)n2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112158", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233151", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1CCO[C@H](C[NH2+]Cc2cncn2C2CC2)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47990", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NCc1cc(F)cc(F)c1)c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69638", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCn1ncc2ccc([C@@H]3CCCN(Cc4[nH]cc[nH+]4)C3)nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171957", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158332", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCNC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2sccc2C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121119", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231615", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(Cl)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43041", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)CC(C)(C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215870", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1OC)c1nc(C)cs1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143775", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CO[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92715", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule N#Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90818", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cn1cc[nH+]c1CN(CCO)C(=O)[C@@H]1CC2(CC[NH2+]CC2)CN1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49658", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1ccc(CNc2ncc(Br)cn2)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142623", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38685", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41945", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c(C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20697", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CN(CCn1cnnc1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169557", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCOC(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14114", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)n2cncn2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88263", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47334", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCCN1C(=O)/C(=C\\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237830", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16744", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(C)c(OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203129", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@H]1CN(CCCCNC(=O)C(C)(C)c2ccccc2F)C[C@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112724", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(F)cc2Cl)c(C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140155", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN([C@]2(C[NH3+])CCCC2(C)C)CCO1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25688", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nnc(/N=C([O-])/C(Cc2ccccc2)=C2/SC(=S)N(Cc3ccccc3)C2=O)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46014", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(CSc1nc2ncccn2n1)N1CCC[C@H]2CCCC[C@@H]21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58358", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccccc1C[NH2+]CCc1ccccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69666", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173311", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cncc(F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225608", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C1CC2(CCCC2)C(=O)N1CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125058", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C[C@@H]1O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222509", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61067", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccccc1/C=C1\\Oc2c(ccc([O-])c2C[NH+]2CCN(C)CC2)C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "549", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NC(=O)[C@@H]1CCCCN1C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188387", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCCc1ccc(Cl)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141687", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(c1nc(Cl)ccc1Cl)N1CCN2C(=O)NC[C@H]2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212387", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(N2C(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1Cl by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83836", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C)c(O)c(NC(=O)[C@@H](C)[NH3+])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154150", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(N1CCCc2ccccc21)C1(c2ccc(F)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235291", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(C)cc(CS(=O)(=O)Cc2cccnc2C#N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162905", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1noc(COc2cccnc2F)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87413", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)CC)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23147", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)c1cc(C)ccc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111310", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O[C@H](COc1cc(Cl)ccc1Cl)CSc1nc(-c2ccncc2)n[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226510", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc(C(=O)Nc2cccc([S@](C)=O)c2)c1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42955", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COCCCN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20645", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CO[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97155", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O[C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[NH+]2CCN1CC2 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97720", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCc1nn(C)c(OC)c1CNC(=O)N1CCC(CN2CCOCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217391", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccccc1[C@@H](CNC(=O)c1cc2ccccc2oc1=O)[NH+]1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181346", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(NCc1csc(=O)[nH]1)c1coc(-c2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34415", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])c1cc(-c2ccccc2)c2c(n1)CCCC2=O by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99894", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(O)CC1)c1ccc2c(c1)CCCC2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6644", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40424", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1CCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125128", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc1-c1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134965", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[NH2+]CC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87007", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24616", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1CCCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64064", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])[C@H]1CC(=O)N(CCS(=O)(=O)c2ccc(F)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120835", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213880", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CC[C@H](O)[C@H](C)c2ccccn2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "177385", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171412", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCCCCn1nc(C(=O)NC2(C#N)CCCCC2)c2ccccc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109969", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc(/N=C2/COCCN2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2396", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130692", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@@H]1C[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8901", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cn1nccc1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38870", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCOCC2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100708", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NCCCn1cc[nH+]c1)N1CCc2ccc(O)cc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34930", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37955", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74079", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79552", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule N#Cc1ccc(N(C(=O)c2cc3c(s2)CCOC3)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94508", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccccc3OC)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211173", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccco3)ccc2N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49176", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1cc(Br)ccc1NC(=O)NNc1cnccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42184", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCC[NH+]2CC(=O)Nc2ccccc2F)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188907", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223605", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)OC1CCC(NC(=O)Nc2cncc3ccccc23)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168745", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2occc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233395", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c(C)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49094", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228592", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(NC(=O)N2CCC[C@H]2C(N)=O)cc1OC(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90760", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCc1noc(CC)c1CNC(=O)Nc1cc(Br)ccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107264", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CNC(=O)[C@H](C)NC(=O)c1sc2cccc(F)c2c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218951", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCC[NH+]1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100151", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121060", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]([NH2+]CC1(CO)CCOCC1)c1cncc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65765", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CNC(=O)[C@@H]1C[NH2+]CCN(C(C)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1621", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Clc1cccnc1NC1CC[NH+]([C@H]2CCOC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183358", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(c1ccccc1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167242", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114846", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45453", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H](c1ccc(-c2nc3c([nH]2)CC[NH2+]C3)cc1)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101001", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@H]2CC(=O)Nc1cccc2ccccc12 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216318", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(Cc1cccc(F)c1)Nc1nc2ccccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71284", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20548", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)C[C@H](C[NH+](C)C)NCc1cccc(O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166723", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCCC[NH+](C)CC(=O)Nc1ccc(C#N)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219912", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS[C@H]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2CC)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224750", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccccc1OC/C=C/C[NH+](C)C by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2624", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(F)c([C@H](N)C(F)(F)F)c1Cl by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231499", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC(=O)OCc1cn(C)nc1C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115941", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCc1nn(C)cc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101966", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104700", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1nc2ccc(F)cc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231975", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(OCc4ccccc4)=CO3)sc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6741", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36361", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52502", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cncc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96180", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235662", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(CCNC(=O)c2nc3ccccc3s2)on1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49419", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233224", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Cl)s2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231131", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@](C)([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60295", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccc(C)c(C[NH+](CCC(N)=O)Cc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106760", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NCCc1cccs1)Nc1cccc(-c2nnc3n2CCC3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28775", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)C1CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65766", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(Nc1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169476", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c(C)s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "354", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-c2n[nH]cc2CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13802", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC[C@@H](NC(=O)Nc1cc(OC)c(OC)cc1F)c1cc(F)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145691", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78796", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC(=O)c1ccc(OC(=O)Cn2nnc(-c3ccccc3)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66656", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1N by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22714", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126749", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(/N=C(\\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1F by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121654", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CN(C[C@@H]2CCC[NH+]2Cc2ccc(-n3cncn3)cc2)C[C@@H](C)O1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243539", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc2occ(CC(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3)c2cc1C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88330", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170978", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O[C@H](Cn1nnc2cc(Cl)c(Cl)cc21)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40685", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H]1CCCC[NH+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5607", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(Cl)c(C[NH+]2CCC[C@H](N3CCCC3=O)C2)cc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117843", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239747", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOc1cc(/C=N/N2C(=S)N=N[C@H]2[C@H]2C=C(c3ccccc3)N=N2)ccc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96975", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43872", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191221", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule N#Cc1cccnc1NCCNC(=O)C[NH+]1CCc2sccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60513", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)NC(=O)CCCN1C(=O)c2cccnc2Oc2ccccc21 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138585", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCn1ccnc(NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84780", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(NC(C1CC1)C1CC1)C1(c2ccc(Br)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82402", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@](Cl)(c1ccccc1)C1OCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218864", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H]1CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244956", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26659", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162346", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1-c1noc(COc2ccc(C=O)cc2Cl)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222032", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH+]1CCCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39160", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)nc3)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200936", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1ccc(C2=C[C@H](C(=O)N/N=C/c3cc(Br)ccc3O)N=N2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52116", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccc([C@H]([NH2+]C2CCCCC2)c2ccccn2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143646", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(NC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236533", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(N2CC[C@H](N[C@H]3CC(C)(C)Oc4cc(F)ccc43)C2=O)n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75748", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239031", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31953", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95375", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)ccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52173", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1c(C(=O)NCC[NH+]2CCCC[C@H]2C)nnn1-c1cccc2cccnc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25888", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCc3ccccn3)nc(C)n12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73684", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H]1OCC[C@@H]1C(=O)NC[C@H](O)c1c(F)cccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43090", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233483", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(N)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104303", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#CC1(CSc2nnc(-c3ccncc3)o2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107169", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1nc([C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCO2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21733", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15424", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCC(CC)(NC(=O)NC[C@@H]1CCCOC1)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44880", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54795", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOc1ccc(C(=O)N2CCC[NH+]([C@H]3CCN(CC4CC4)C3=O)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22133", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCN(Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179263", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cc3ccccc3[nH]2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43178", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78997", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2c[nH]c3ncccc23)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77631", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158547", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOCCN(C)C(=O)c1ccc(Cl)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146244", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1c(F)cc(N)cc1S(=O)(=O)N1CCOC[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235819", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(-n2nnnc2N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138038", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Nc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134818", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O)[NH+]1CCSCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156952", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COC(=O)Cc1n[n-]c(NC(=O)c2nc(C3CC3)n3ccccc23)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38145", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NNc1nc(-c2ccccc2)no1)c1cnn(-c2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114373", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153404", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC1(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)[O-])cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10680", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1CCC[C@@H](NC(=O)COCC(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206907", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(=O)c1ccc(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164221", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(OCC(=O)O[C@H](C)[C@H]2CCOC2)c(C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9705", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CSC[C@@H](CCO)NC(=O)Nc1c(C)cc(Br)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43466", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209809", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CS(=O)(=O)NCCNC(=O)c1ccccc1I .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27159", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184080", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccnc(OC(C)(C)C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124946", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204604", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#C[C@@H](NC)C1([NH+]2CCCC2)CCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225483", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96827", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1ncc2c(=O)n(Cc3ccc(NN)nc3)nnc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248671", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nc(-c2ccc(NC(=O)Nc3ccc4nsnc4c3)cc2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11591", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122373", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148974", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(/C=C(\\C#N)c2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156396", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)N1CCc2sccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54085", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1csc([C@@H](C)NC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54564", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35357", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CCCSC[C@H](O)[C@H](C)CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249315", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCn1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163492", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccnn2C)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54157", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cccc(S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153379", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98586", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201211", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Cn1cccn1)OC(=O)c1scnc1C1CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86711", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(=O)N(c1nccs1)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10592", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139281", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)n(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17034", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95875", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22090", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1/C(=C\\c2cc3ccccc3o2)SC(=S)N1c1ccc(F)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13098", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1SCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80523", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)N1CC[C@]2(O)CCN(C(=O)Cc3cc(C)ccc3C)C[C@@H]2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54535", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1cccc2ccccc12)c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123728", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H](c1ccccc1F)N(C)C(=O)CC[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155120", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccccc2C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43471", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186626", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1C[C@@H](C(=O)N2CCCCC2)[C@@H](c2ccc3c(c2)OCCO3)O1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76328", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)Nc1c(C)cc(N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56129", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CS(=O)(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203227", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cn1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32294", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(N2CCCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94748", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78249", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C=CCO[C@H](C)C(=O)Oc1cccc(-n2cccn2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185527", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CC[C@H](C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148976", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(OCc2ccccc2F)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22669", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+]1CCN(c2ncnc(NNC(=O)c3ccccc3C)c2N)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120870", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC#N by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226960", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C(=C/C(=O)Nc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39302", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccccc1[C@@H](Cc1ncnn1C(C)C)C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248098", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C(=O)NCC(N)=S)cc1O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115493", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc2[nH]cc(CC(=O)NC[C@](C)(O)c3ccsc3)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108390", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(C)cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51702", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@](O)(CCC[C@H]1CCCO1)c1cc(F)cc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11354", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152899", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(Nc1ccccc1O)c1ccc2ncsc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130796", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CO[C@H](CNC(=O)C1CC[NH+](C)CC1)c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111347", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70529", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1C[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143657", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154153", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)OCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175511", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC[C@@H](c1nnnn1C(C)(C)C)[NH+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100793", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(OC)[C@H](C)NC(=O)[C@](C)(N)C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118271", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116111", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc([C@H]2N=[NH+]C(=S)N2/N=C/c2ccc(OC(C)=O)c(OC)c2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231122", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Nc1cccc(COc2cc(F)c([N+](=O)[O-])cc2F)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115867", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC(=O)[C@H]1CCCC[NH+]1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3264", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1c(N)sc(C)c1-c1ccc(Cl)cc1Cl by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112584", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(=O)C[C@H]1CCCCCN1C(=O)c1ccc(C)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50482", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170354", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=[N+]([O-])c1ccc(CN2CCN(CCn3cc[nH+]c3)CC2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114012", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule [S-]c1cc(-c2ccccc2)nc(-c2cnccn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28766", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule COc1ccccc1/C=C/C=C1\\N=C(c2c(-c3ccccc3)noc2C)OC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229203", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccccc1C1=C[C@H]([C@H]2NC(c3cccc(F)c3)=NO2)N=N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17928", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc2nnnn2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170469", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(c1ccccc1)C1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120226", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(N)c(C(=O)COC(=O)/C=C/c2cccc(Br)c2)c(=O)n(C)c1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208523", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2nncn2C2CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64894", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92310", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)OC(=O)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222294", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215500", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2c(Cl)cccc2n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62765", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule c1cc(-c2cscn2)cc(N2CCC([NH2+]CCc3cccs3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56724", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161164", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1noc(CN(C)c2cc[nH+]c(C(=O)NCc3ccccc3)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62995", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC[C@H]1CC[C@@H]([NH+](CC(=O)OC)C2CCOCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17901", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84366", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1nccs1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231849", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147766", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nccs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131537", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CS(=O)(=O)N1CCCN(CCOc2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181525", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CNC(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7712", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CO[C@@]1(C)C[C@@H](N(C)Cc2cc(=O)n3nccc3[nH]2)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138536", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cn1c(S[C@H]2CCCCNC2=O)nc2sc3c(c2c1=O)CCC3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85147", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCc1ccccc1[C@H](O)[C@@]1(C#N)CCOC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195220", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140712", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cc1cn(C)nc1C(=O)N(Cc1cccnc1)c1nc2c(C(C)C)cccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95511", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(/C=C(\\[O-])c1ccc2c(c1)OCO2)C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40276", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72328", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCCCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87585", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1cccc2cc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)oc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67527", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)C[C@H]1COCCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82956", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136795", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCCC1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208308", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1ccc(F)c(F)c1F)c1cc2c(s1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21632", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5626", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(C)(C)C[C@@H](C)NC(=O)NC1CCC(O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13565", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171147", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule COc1cc(C)ccc1NC(=O)N1CC[C@@H](C)C[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33982", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1cc(OC)cc(-c2ccc(C(=O)[O-])o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102960", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCNC(=O)c1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160767", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COC[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(C)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230828", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C=CCn1c([O-])c2ccc(C(=O)NC(C3CC3)C3CC3)cc2nc1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131073", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)n1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cn1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65258", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1/N=C/c1c(F)cccc1Cl by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63413", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101529", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178131", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/[NH+]=C(/NC[C@H]1C[C@@H]1c1ccccc1)N[C@@H]1CC[C@H](SC)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89533", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=c1c2nnc3ncnn3c2ccn1-c1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190897", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccnc1CN1C[C@@H](C)[C@@H]1c1ccccc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24112", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@]2(C)CCCO2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71106", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C(=N/c1cccn2cc(-c3ccccc3)nc12)\\c1cccs1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143189", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@@H]1[C@@H](Sc2ccccc2F)CCC1(C)C by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107624", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cnc3c(C)cccn3c1=O)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75899", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(C)cc3)[C@@H]1CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196243", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@@](C)(CCO)[NH2+]Cc1nnsc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226567", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc2ccccc2n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221758", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83554", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cc(C[C@H](C)N[C@H]2CCOc3ccc(F)cc32)n[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234395", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@H]1C(=O)NCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137311", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97883", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152010", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(NN1CCOCC1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233266", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(NCc2cnc(-c3cccnc3)s2)cc(OC)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34574", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2CCCCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159735", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](CNC(=O)NCc1cnn(C)c1)c1nc(-c2ccccc2)no1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11498", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(CCC[S@](=O)Cc2cnc(C)s2)cs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15357", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC[C@@H]1CC[C@H](C#N)[C@H]([NH+](C)CC)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47969", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccs2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144659", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C([C@@H]1CCCC[NH+]1Cc1ccccc1OCC1CC1)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118831", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[NH2+][C@@H]1c2ccccc2CCC[C@H]1SCC[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121923", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCc2ccccc2C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93161", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1nc(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48271", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C(=O)C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N(C)C1=S by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24079", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc2nc(C)cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221667", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc([C@@H]2C[C@@H](C)[NH+](CC(=O)NCc3cccs3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95492", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137973", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228161", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168575", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C[C@@H]1C[NH+]=C(N)N1C1CCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42288", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule C[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C[C@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17486", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51093", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1N1CCNC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32707", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC[NH+](C)C[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176922", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225075", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11157", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC[C@H](NC(=O)CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113395", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158672", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1CCN(c2ccc(C(=O)OCCC(=O)N(C)C)cc2[N+](=O)[O-])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138347", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c(C(=O)C[n+]2ccn(C)c2C(=O)c2cccs2)cc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67670", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C#N)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232363", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220853", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(COc1ccc(F)cc1F)c1ccc2c(c1)CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225222", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147526", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CC(C)COc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128944", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2coc(C)n2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45990", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28424", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC(=O)c1cccc(NC(=O)c2cn[nH]c2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=c1n(CCl)nc2ccccn12 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154886", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84213", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1CCCN(C(=O)NCC(N)=[NH2+])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230106", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1ccc(Cl)c(CC)c1NC(=O)NCc1nnc2n1CCCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202974", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41004", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)[NH2+]2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18785", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n[nH]c1=S by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11734", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@H](C(=O)NN)[NH+](C)CCc1cccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85041", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59025", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1ccc2c(c1)OCCCO2)NCCc1ccc(F)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229937", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCC1=C(C(=O)OCC)[C@@H](c2cccc(C)c2)NC(=S)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75646", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c(=O)[nH]c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116084", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1c(CCC(=O)NCc2ccnc(OC3CCC3)c2)cnn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42889", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccccc1CNC(=O)CS(=O)(=O)c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161144", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule [S-]c1nnc(C2CCCCC2)n1/N=C/c1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120345", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1OCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138507", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1CC[C@@H](Nc2ccc(S(N)(=O)=O)c(N)c2)[C@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184213", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCN(CC)C(=O)c1cccc(NC(=O)NCc2cn3c(C)cccc3[nH+]2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133421", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149660", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127699", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)C(=O)NC(=S)Nc1cccc(C(=O)N2CCCCC2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68112", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1csc([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107155", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@H]1CN(c2ccc(Cl)cn2)CCO1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29773", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Brc1cccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23966", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)Oc1ncnc(N(C)[C@H]2CCS(=O)(=O)C2)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79148", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243045", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(CCC(=O)NCCc2nc3ccc(F)cc3n2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35849", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H](NC(=O)c2ccc3c(c2)nnn3C)C2CCOCC2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75674", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC1CCOCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62441", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](O)C[NH+](CC(F)(F)F)C1CCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "47172", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2oc(-c3ccc4c(c3)OCO4)c/c(=[NH+]/[C@H](C)C(=O)[O-])c2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217003", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCc1nn(C)c(OC)c1CN[C@H](C)c1ccnc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131676", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCc4c(O)cccc43)c(C)n2n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111631", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(C2=Nn3c(nnc3-c3ccc4ccccc4c3)SC2)cc(OC)c1OC by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71370", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)CC(=O)Nc1ccc(C2=NCCO2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146036", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc2c(c1)=C[C@@H](CN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)[NH+]=2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156559", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C(=O)NC2(CCN(C(=O)CCCc3nc4cc(Cl)ccc4n3C)CC2)C1=O by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176739", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165840", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1noc(C)c1CN[C@H](C)c1ccccc1C(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225192", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Nc1ccc(SCc2nc(-c3ccco3)no2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139022", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)c1ccc(F)cc1)C1CCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138000", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CCC(CC)N(C)c1nc(C(F)(F)F)ccc1/C(N)=N/O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65658", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CC(C)(C)n1ncc2c(=O)[nH]c(NCC3([NH+]4CCSCC4)CCCC3)nc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224442", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176518", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cn1cc(Br)cc(NC(=O)N2CCC[C@H]2CC(C)(C)C)c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122324", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NNC(=O)c1cccc2c1-c1ccccc1C2=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94566", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1ccc2nc(N3CCCCC3)c(C[NH+]3CCCC[C@H]3c3ncon3)cc2c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143453", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92872", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC[C@@H](O)CNc1nc2ccccc2c(=O)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226597", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCc2ccccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198148", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)OC(=O)N1CCC[C@@H]([S@](=O)c2ccc(F)c(F)c2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231874", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CCNS(C)(=O)=O)Cc1ccccc1C#N by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168208", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[S@](=O)C(C)(C)C2)n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181700", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule NC(=O)N1CCC[C@H](C(=O)NCc2cc(-c3ccco3)on2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7999", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16037", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1ccc(/C=[NH+]/C[C@H]2COc3ccccc3O2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6558", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(CSc1ccc(Cl)nn1)Nc1ccc(Cl)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34139", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222950", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]([NH2+][C@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230709", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65252", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc[nH+]3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114471", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106276", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1sc2nc(SC)nc(-c3ccc(Cl)cc3)c2c1N by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37231", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCCN(C)c1ncnc2c1oc1ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160536", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11517", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCC(=O)Nc1ccc(NC(=O)CBr)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78353", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)ccc1Cl by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187154", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1F by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146560", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25651", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[NH+](C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13941", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Nc1ccc2c(c1)CN(C=O)C2 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85009", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[C@H]1C[C@@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163206", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154855", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C=CCc1cc(C=O)ccc1OCCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80488", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H]1C[C@H](Nc2cccc(N3CCCC3=O)c2)CS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199410", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+]1CCC[C@@H]1C[NH+](C)Cc1ccc(N)c(C)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132281", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223270", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(Nc2nn[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222211", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=C(CCn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211512", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1cc(C2CC(C(=O)[O-])C2)ccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59710", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCN1C(=O)N=C(N)[C@@H]1c1cc(OC)c(OC)cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232657", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC(=O)NNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205764", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2CO)ccc1O by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102179", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1nc(C[NH2+][C@H]2CCCc3c2cnn3C)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172047", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](CC1CCCCC1)C(=O)Nc1nccs1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142977", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(C(=O)c2ccsc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237088", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCO[C@@H]2C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81724", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184646", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1c(CO[C@H]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99886", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)N1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159802", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC[NH+](Cc1cccc2cn[nH]c12)[C@H](C)C(=O)Nc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121069", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)on3)no2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11030", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC1(C)CSC[C@H](N[C@H]2CC[NH+](C3CC3)C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52957", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule N#C/C(=C\\c1ccco1)C(=O)Nc1cccc(C2SCCS2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167538", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)C[C@@H](C(=O)NCCc1ncnn1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213959", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C1CC[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CN1Cc1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196680", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COCc1nc(C)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122502", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C/C(=N/NC(=O)CC#N)c1ccc2cc[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173308", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]1CCC[NH+](CCCC[NH2+][C@@H](C)c2nccs2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "158241", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(N(CCC#N)C(=O)c2ccoc2C)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26949", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC1(C)CC[NH+](Cc2cccc(C#N)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81692", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1=C(C#N)[C@@](NC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C([O-])=N1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40731", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccc(-c2csc(C)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81846", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198318", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])CNC(=O)CCCNC(=O)c1cccs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184879", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152986", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146946", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCNC(=O)CNC(=O)N[C@H](CC)c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138973", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN1CCO[C@H](CNC2=[NH+][C@H](c3ccccc3)CS2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72468", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1ccc(O[P@@](C)(=O)Nc2cc(Cl)ccc2Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224322", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(C[n+]1ccc2ccccc2c1)c1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245735", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-c2cc(C(=O)N/N=C(\\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)c(OC)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44451", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1cccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)c1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44287", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)c(C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105860", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(NC1(c2ccc(Br)cc2)CCC1)C1CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154369", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2c(c1)CCN2C(=O)CN1C(=O)c2ccc(C)cc2C1=O by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135133", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CN4CCN(c5ccccc5)CC4)on3)C2(C)C)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68856", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC(=O)N1CCOCC1)C(=O)c1cccc(Cl)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7674", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131411", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccc(OCCSC2=N[C@H]3CCCC[C@@H]3N2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123304", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1ccc(OS(=O)(=O)c2ccccc2Br)cc1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244102", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccc(F)cc2O1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139985", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243582", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66667", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#C/C(=C/c1cc(Br)cs1)c1nc(-c2ccc(C#N)cc2)cs1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23320", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166941", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H]([NH3+])c1ccc(S[C@H](C)CCO)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114137", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Cl)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52916", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COCCOCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144473", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nnc(-c3ccccc3F)o2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164332", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCCn1nnnc1CSc1cc(N)ccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173488", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCNS(=O)(=O)[C@@H]1CC[NH+](C[C@@H]2CCCc3ccccc32)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "752", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204565", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248006", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125204", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)cc(C(=O)OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74042", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCSC[C@H](C)N(C)C(=O)N[C@H]1CCC[C@H](C)C1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116268", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(Cn1cnc2cc(F)c(F)cc21)NC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215272", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC1(CNC(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103148", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27979", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76886", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1cccc(C=O)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55586", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1C[C@@H](C(=O)N2CCCCC[C@H]2c2ccncc2)CN1CC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150512", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76124", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(Cl)cc1NCCNc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107066", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210902", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule ON(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146576", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NCc2ccnc(-n3ccnc3)c2)c([N+](=O)[O-])c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129646", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](N[C@@H]1CSCc2ccccc21)[C@@H]1COc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58412", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1cccc(N2CCN(C(=O)[C@H]3C=C(c4ccc(C)cc4C)N=N3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188570", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCC(C)C)CC3)cccc2c1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198412", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98541", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)C(N)=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207285", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](C(=O)Nc1nc2ccc(F)cn2n1)c1ccc(Cl)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203417", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C[NH+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)oc2ccccc12 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91610", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[NH2+]C/C(=C\\c1cc(Cl)cs1)CC by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126031", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154594", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153429", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H]1Cc2c(NC(=O)Cc3ccc(-c4ccccc4)cc3)nn(C)c2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234759", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC1=C2C(CSc3c(Cl)cccc3Cl)=CC(=O)N=C2S[C@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184143", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@H](C)[NH+]2CCCC[C@@H]2[C@@H]2CCCN2)cc1F by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161588", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)CC[C@@H](C)NC(=O)Nc1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111911", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21379", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168738", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(F)cc1C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19683", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1C[NH+](CC(=O)c2ccccc2F)C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213122", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Cl)cc1N(C)C(=O)c1nn(C)c2c1COc1ccccc1-2 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38003", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124240", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc([C@H](C)OC(=O)Cc2c(F)cccc2F)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218982", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cccc(OCC(=O)Nc2scnc2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154668", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Nc1ccccc1-c1nc(-c2ccco2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73973", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2[nH+]c(CN3CCN(S(=O)(=O)c4cc(C)sc4C)CC3)cn2c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18197", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76795", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(NC(=O)CSCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184411", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCCCC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204409", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CN(CCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131157", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](c2ncc[nH]2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145600", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)(C)c1ccc(SCC2(CS)CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "2402", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1CCCCN1C(=O)C(=O)NCC[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148783", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C=CCN(CC=C)C(=O)Nc1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164730", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(CSc2nnc(N/N=C/c3ccc(Cl)cc3)[nH]2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214720", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C/C(=N\\NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204820", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(C)cc3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114120", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192926", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC[C@H](C[NH3+])O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233677", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)C)CC2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196951", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1cnn(C[C@H]2CN(CCCOc3ccc4c(c3)OCO4)CCO2)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4553", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1ccc(CN[C@H](C)[C@H]2CCC[NH+](C)C2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75719", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2oc([C@H](C)NC(=O)NC[C@H](C)C[C@@H](C)O)c(C)c2c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63701", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45163", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155459", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCOC(CNC(=O)[C@@H]1COc2ccccc2O1)OCC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173449", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29934", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@H]1[C@H](C)CCCN1C(=O)CN1C(=O)NC(=O)C1(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225968", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(OC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223242", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1nc(N)nc(COc2ccccc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86659", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H]1OCC[C@H]1[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132595", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)c(C)c23)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118273", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)[C@@H](CNC(=O)Nc1ccccc1F)N1CC[NH+](C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104760", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)n1nnnc1COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246887", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C=C/C=C/C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210076", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70779", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CO[C@]1(C)C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)C1(C)C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208721", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214154", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)CCN1CCCC1=O)C1CCN(c2cccc(F)c2)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14531", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc(NC(C)=O)cc1NCc1noc(-c2cccs2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206130", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CCC(=O)OC)C(=O)c1csc2c1CCCC2 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86681", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(O[C@H](C)CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111248", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)c(Br)s2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191007", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](Cc1nc(C2CC2)no1)[C@H]1CCN(c2ccccc2Cl)C1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201214", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cc(F)cc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135841", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COc1ccc(Cl)cc1C(=O)n1cnc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136804", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H](C)O)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97509", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCOC(=O)C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156290", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(/C=N\\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197356", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)N1CCCC[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204907", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208730", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9658", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67070", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(F)cc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234718", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccsc1C[NH+]1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70949", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1CCc2cc(NCc3csc4ccccc34)ccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152569", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C(=N\\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\\c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202698", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204435", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148593", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1cc(C)c2sc(NC(=O)c3cc4ccccc4o3)nc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157182", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN[C@H](c2cccc(C3CC3)c2)S1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12579", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(O[C@H](C)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247148", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C=C1C(=O)[C@]2(C)CC[C@H]1C2(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94638", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2nc(NC(=O)c3ccc4nc(C)sc4c3)sc2c1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156883", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccc(CNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1F by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124150", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccco3)C2)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123175", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccncc3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232684", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]CCCCC/C(=N/O)c1ccccn1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199095", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202099", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](C(=O)NN)[C@@H](C)n1ccc([N+](=O)[O-])n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55728", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138548", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1sc2nc(S[C@@H](C)C(N)=O)n(C)c(=O)c2c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65712", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cn1c(=O)oc2cc(NC(=O)NCCC(=O)NC3CCCCC3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221864", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1cccc(C#N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48719", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(NC(=S)N(Cc2cccnc2)C2CC2)c1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10988", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cccc(C[NH3+])c1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163972", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCC(=O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153513", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(=O)NCCNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91229", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCn1nc(CC(C)C)cc1C(=O)Nn1cnnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35331", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCn1nc(C)c(NC(=O)c2cc(SC)ccc2C)c1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246998", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217429", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule c1ccc(-c2ncn(Cc3ccc4c(c3)OCCCO4)c2[C@H]2CCOC2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115658", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1nc(C)c(CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95035", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c2c(C)noc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245076", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C(C[S@@](=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226469", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH+](CC[NH+]1CCCCC1)C[C@@H](C)O by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121841", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1CCO[C@H]([C@H]([NH3+])Cc2cc(Br)ccc2F)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148787", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)n1cc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)ccc2n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231733", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228887", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccncc2C)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76253", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2N)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86130", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCN(CCO)C(=O)Nc1nc(C)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21753", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCS(=O)(=O)NCCNC(=O)Cc1c(F)cccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228006", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210362", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(NCc1ccc(Cl)nc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68746", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1cccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80206", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1ccc(-n2nc(C)cc2NC(=O)CCc2ccc3c(c2)OCO3)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7640", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc(C)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238571", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H]1C[NH+]([C@@H](C)C[C@@H](C)O)C[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200865", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191342", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C(=O)OCc2nc3ccccc3s2)cn1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "469", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=Cc1c(I)cc(I)c(O)c1I .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214274", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)/C(=C\\c1ccc([C@@H]2C[C@@H]2C)o1)C[NH2+]C1CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88728", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Nc1cc([C@H]2CCC[NH2+]C2)nc2cc(-c3ccc(F)cc3)nn12 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35309", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=[N+]([O-])c1ccc(NC[C@@H]2CCCN(c3ncccn3)C2)c2ncccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153817", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205402", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187445", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(-n2cc(CNC(=O)c3cnn(C)c3)nn2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131145", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181847", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(NCc2cccc(OC)c2O)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208866", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(Cl)cccc2Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13305", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38898", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42770", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1c[nH+]c(C)nc1N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93150", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule N#Cc1ccc(OCc2ccc(C(=O)NN)cn2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107945", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccncc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42667", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)N(C)c1ccc(OCCc2cnn(C)c2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193312", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](Oc1ccccc1C)C(=O)Nc1cncc(C)c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142382", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC(F)(F)F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138372", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213984", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112160", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137016", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42643", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167124", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54076", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC[C@H](C)NC(=O)N[C@H](C)CC(C)(C)OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215084", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(CCC1CCCCC1)NNC(=O)[C@@H](O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3446", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23434", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[NH+]1CCC[C@@H](C(=O)NCC(=O)Nc2cccc(F)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111949", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130266", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151754", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(C[NH+](CC(=O)N2CCO[C@@H](C)C2)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87480", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)C1C(C)(C)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204094", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@](C)(C#N)[C@]1(O)CCC[NH+](C(C)C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170042", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1cc([O-])nc2nc(C(F)(F)F)nn12)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222372", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@H]1CCCC[C@H]1C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197392", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(C)cc(CN[C@H](C)C(N)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16028", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CON(C)c1nc(-c2ccncc2)nc2c1CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34599", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149518", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69849", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccnn1C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159384", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87001", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64192", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CC[n+]1c(NC(=O)NCC)sn(CC)c1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "224781", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)c1cnc2ccccc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134179", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Cn1ccnc1)[NH2+]Cc1nncn1C1CCCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67564", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)CNC(=O)C1(NCc2cccc3cccnc23)CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132779", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1cccc(SCC(=O)NC2CCCC2)c1N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114034", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cn2c(=O)c(C(=O)NCCCc3cccc(F)c3)cnc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96831", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc[nH+]c(N[C@H]2CC[NH2+]C2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88336", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCn1c([C@@H]2CCC[NH+]2Cc2occc2C)nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200723", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule N#C[C@]1(NC2CC2)CCC[C@H](Sc2cccs2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230948", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113017", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114074", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccccc3)C(=O)[C@@H]12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86303", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2ccc(Br)cc2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100318", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122138", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](CO)NC(=O)NCc1cccc(Cn2ccnc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202384", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@@H](C)Oc1cccc(NC(=O)[C@](C)(N)C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188009", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCOCCn1cc(I)c(=O)[nH]c1=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220524", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10331", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1-c1nc(C(=O)Nc2cccc(C)c2C(N)=O)cs1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201469", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C1C[C@@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CN1CC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180715", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC(=O)N1CC[C@@H](C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176563", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC[C@@H]1CCC[NH+]1Cc1cc(C)n(Cc2ccco2)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76465", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COCC1CC[NH+](C/C=C/c2ccc(C#N)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159949", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(OCCCCN2CC[NH2+]CC2)c(C(C)(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63084", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cccc([C@@H](C)CNC(=O)c2nccnc2C(N)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244049", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73006", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cnc([C@@H](C)NC(=O)c2cnc([C@@H]3CCCO3)s2)s1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30776", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCOC(=O)[C@@](C)(N)C(F)(F)F by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249374", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)CC[NH+]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40602", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc(F)c3)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166519", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)nc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63536", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nnc(SCCC(=O)[O-])s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127012", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219181", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN[C@@H](C[NH+](C)C)c1cc(C)cc(F)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30430", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81944", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223960", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C/[NH+]=C(/NCCc1nc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106333", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc2cc(C(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185381", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1[C@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=O)CN1/N=C/c1ccccc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101828", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134484", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOc1ccc2c(c1)CN(C(=O)N[C@H]1CCCn3c(C)nnc31)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115521", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC(=O)Nc1nc(C)cc(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207503", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168099", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc[nH]n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "203758", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222780", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1nn(C)c2ncc(NC(=O)N(C)[C@@H](C)c3ccccc3Cl)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176351", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)Sc1ccc(CNc2ccc(C#N)cc2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34031", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C/C=C(\\C)C(=O)N/N=C/c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108035", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(OC)c1O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245237", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccccc2F)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77859", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46843", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC[C@@H]1CCCN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12603", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180900", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148368", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCNC(=O)C[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98075", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)N[C@](C)(C#N)CCC[NH+]1C[C@H](C)[C@@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157205", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCS[C@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168222", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125216", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=c1cc([O-])cc(-c2ccc(Cl)cc2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174998", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2ccccn2c1C(=O)NCC(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98030", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(COC(=O)c1ccccc1Br)Nc1ccc(F)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221547", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+](C)CCn1ccnc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22609", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC1CC1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160890", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56570", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Clc1ccc([C@H](CNCc2csc(C3CC3)n2)n2cccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80482", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1cc(NC(=O)NCCCC[NH+]2CCCC2)ccc1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86286", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(C)c1NC(=O)CN(C)c1ncnc2[nH]ncc12 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40862", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78379", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[NH+](CCOC(F)(F)F)CC(C)(C)O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124628", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C(=O)NCCn2c(C)cc3ccccc32)cccc1[N+](=O)[O-] by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167214", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]1CCCC[C@@H]1OCc1ccc(N)c2cccnc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63679", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCc1nc2cc(Cl)ccc2[nH]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114076", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245269", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(NC(=O)C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)n(C)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175168", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(COc2ccccc2-c2ccccc2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120969", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112668", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(Nc1c[nH]nc1-c1ccccn1)N1CC[C@H](CO)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8255", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1cc2nc(C(C)C)cc(N[C@@H](c3nc(C4CC4)no3)C(C)C)n2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63284", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC1CCC(C[C@@H](O)C(F)(F)F)(C(=O)[O-])CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240521", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(C)c(Br)cc1C(=O)c1c(F)ccc(N)c1F by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131768", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223876", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOCc1ccccc1NC(=O)C1=Cc2cc(F)ccc2OC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41280", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C[C@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12808", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NC1CCCCC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197093", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104071", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243024", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nc(NC(=O)N[C@H]2CCOC2)ccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188720", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123467", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCCOc1ccccc1NC(=O)c1coc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34143", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NC(=O)CCSc1ccccc1NC(=O)Cc1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45166", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(C[NH+]2CCCCCC2)[nH]c1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198651", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CC[NH+]1CC[C@H](N(C)Cc2cnc(-c3ccccn3)s2)[C@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189597", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(/C=C/C(=O)N2CCC(C3[NH+]=c4ccccc4=[NH+]3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146095", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CS(=O)(=O)NCC[C@@H]1CCCC[NH+]1Cc1nnnn1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60520", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc([C@H](C)N(C)C(=O)NCCN2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135350", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1nnc(CN(C)[C@H]2CCSC2)s1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48854", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106395", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCCS(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222449", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246086", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110848", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85101", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CCC(=O)Nc1cc(-c2ccncc2)n[nH]1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98323", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CCCC[C@H]1C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126042", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1noc(C)c1C(=O)N1CC[C@@]2(CCC[NH+](Cc3cccc(OC)c3OC)C2)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80756", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C)cc1Nc1c([N+](=O)[O-])nn(-c2ccccc2C)[n+]1[O-] by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209213", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC1CC[NH+]([C@H]2CC[C@](NC3CC3)(C(N)=O)C2)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "136645", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cs1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103469", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183415", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COC(=O)c1sccc1C[NH+]1CCCC[C@H]1CCO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161154", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165077", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)Cc1cccc(F)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183725", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3(C(N)=O)CCCC3)C2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91669", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOCCN(C)CN1C[C@@H](c2ccccc2)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241854", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1ccsc1)CC2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93591", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1onc(C)c1NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29302", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(c3cccc(Cl)c3)CC1)CO2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167486", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(I)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70538", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196570", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(CNC(=O)/C=C/C1CC1)c1ccccc1Cl by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228396", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)c1ocnc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35811", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(C)C(=O)Cn1nnc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195472", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)CO[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20719", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H](CO)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3343", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule c1ccc(CC[NH+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226065", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@@H]1S[C@H](C)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34152", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(OCC(=O)N1CCOCC1)c1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26398", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCOC[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149563", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CCC(=O)N1CCC(N2C[C@@H](CO)OC[C@@H]2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149546", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CCOC(=O)NCCC(=O)Nc1ccc2c(c1)COC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68903", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(=O)[nH]c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62158", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50551", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C1CCC([NH2+]CCN2CCOCC2)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197758", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C#CCCOc1ccc(F)cc1C(C)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210919", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule COC(=O)c1cc(O)c2c(c1)OC(C)(C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74254", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83035", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(c2ncccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125860", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@@H](CNC(=O)NCC[C@@H](C)O)Oc1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4871", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55694", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1cccc([C@H]2CCCN2C(=O)c2cccc(CCC(C)(C)O)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42057", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC1(CC)C[NH+]([C@H]2CCCCC[C@H]2[NH3+])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144028", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1cccc(C(=O)NC(C)(C)c2nc(C)cs2)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4253", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(CCCCCBr)C[C@H]1CCC[NH+]1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49421", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)CC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191458", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5359", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCCC(=O)Nc1cccc(CNc2nc(-c3ccccn3)nc(C)c2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39773", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule COCCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61301", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(C#N)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148072", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232537", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)ccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138529", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)n1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64117", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1c(NC(=O)c2cc(C)no2)c(C)nn1C by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123392", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccc([C@H](O)CNC(=O)CC2CCCCC2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6291", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)c2ccccc2C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12189", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36787", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCCCC2)C[C@H](C)O1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120067", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C/C(=N/NC(=O)COc1ccc(F)cc1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234993", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215297", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1noc(CC)c1CNC(=O)Nc1cccc(-c2nnnn2CC)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58019", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccsc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155958", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54860", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=[N+]([O-])c1ccccc1SN1CCc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232086", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30692", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCc1nc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)n[nH]1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200570", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(C(=O)CSC[C@@H](C)CO)c1nc2ccccc2s1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93813", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccccc1CCNC(=O)C[S@](=O)C1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24597", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1sc2nc(CN3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc(N)c2c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204630", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1ccccc1F)C(=O)NCCc1c(F)cccc1F by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128347", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](C(=O)c1ccccc1)n1cnc2ccc(F)cc2c1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106941", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206477", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160410", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CN1CCO[C@@H]([C@H](O)Cc2ccncc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58678", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1SCCC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109267", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122636", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185180", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23939", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2ccc(OC3CCCC3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135440", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN1C[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102278", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)cc(NC(=O)C(=O)NCc2ncc(C)s2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11067", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CC(C)(C)OC1(C)C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233304", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4213", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)[C@H]1CSCCS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134323", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208053", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@H]1C[C@@H]1COC(=O)CCNC(=O)c1ccsc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167907", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(OC)c2OC)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210954", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(O)cc3)CC2=O)Nc2onc(C)c21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97645", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44824", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccsc1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90396", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(OCC2CC[NH+](CC(=O)Nc3ccn(C)n3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20222", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73320", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule [NH3+]CC1([C@@H](O)c2ccc3ccccc3n2)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25525", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235183", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCc1ccc(O)c(NC(=O)CO[C@H]2CCC[C@H](C)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126879", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC1(C)CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245573", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc2[nH]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143171", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@H]1CCCC[C@H]1NC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68928", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)CCNC(=O)N(C)Cc1cccc(Cl)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67574", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCNC(=O)C2CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150976", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@H](NC(=O)c1nccn2ccnc12)c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51163", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC1(C)C[C@H]2C[C@](C)(C[NH+]2CCC#N)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129117", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206629", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H](NC(=O)C(C)(C)C)c1nc(C(F)(F)F)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95934", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1nnnn1[C@@H]1CCOC2(CCSCC2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207134", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc(C2=CC[NH+](CCCS(C)(=O)=O)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176066", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Clc1cc(Cl)cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239202", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCO[C@H]1C[C@@H]([O-])C12CC[NH+](Cc1nnc(C3CC3)o1)CC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34582", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C[C@@H](O[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192058", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100099", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NCc1ccc2c(c1)OCO2)c1cn(CCC2CCCCC2)nn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116680", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOC(=O)C[C@@H](C)Sc1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139855", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)(C)c1nnc(NC(=O)Cc2cc(F)ccc2F)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195892", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181995", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82757", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "11383", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(COC(=O)c1ccccc1Br)c1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23357", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33791", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccccc1OC[C@@H](C)CNc1cnccc1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178944", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)Nc1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185452", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)cc2Cl)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113666", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1nc(C(C)(C)C)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157856", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1nnnn1CCc1ccsc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174982", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@@H]1N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86695", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COCCN1[C@@H](C)CN(C(=O)C[NH+](C)C2CC2)C[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "329", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(OC)c(CN2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126032", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49775", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210585", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(-c2cc(C(=O)Nc3cc4c(cc3C)OCCO4)[nH]n2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52288", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule COC(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209519", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C(F)(F)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65218", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCN(CC(F)F)C(=O)N[C@@H]1CC[C@H](SC)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141858", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CO[C@H]1CCC[C@H](OC(=O)c2ccc(-n3ccnn3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145372", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(OCCCC(=O)N2CCOC[C@@H]2C)cc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104874", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239156", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(S(=O)(=O)Cc2nnc(-c3ccccc3C)o2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23206", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)Cn1ncc2ccccc21)C1CCS(=O)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223788", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCC[C@@]1(C)CO by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95497", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CN(C)C(=O)CNC(=O)CNC(=O)c1cc2sccc2n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206675", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83551", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1F by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46282", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1CC[C@H](C)N(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51651", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCCC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132636", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC(=O)c1c(NC(=O)N/N=C\\c2cccc(OC)c2OC)sc2c1CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121297", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CSCc1ccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210228", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN1CCC[C@]2(CC[NH+](Cc3ncccn3)C2)C1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119607", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CNc1cccc(CSC[C@H](C)CO)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64760", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193995", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198921", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C/C(=C\\C(=O)NCc1nc(C)no1)C(C)(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239707", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126409", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)CN1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229005", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1c(S(=O)(=O)c2ccc(C(C)C)cc2)nnn1-c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159175", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45049", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ncn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16834", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9988", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ncsc1CNC(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "68069", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1ccc(-n2cnnn2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78651", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C(/C=C/c1cccnc1)N(Cc1ccccn1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184673", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1F by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104246", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCCOC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54650", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cnc(-c2ccccc2F)s1)N1CCO[C@H]2CCC[C@H]21 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235682", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1c(C[NH2+]CC(C)C)cnn1[C@H](C)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80600", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc([C@H](C/[NH+]=C/c2ccccc2O)N2CCOCC2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168332", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc([C@H]([NH2+]CC2(CO)CCOCC2)C(C)C)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155105", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140282", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(COc1cccc(Cl)c1)N/N=C1/C(=O)Nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218028", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[NH+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29680", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH+](CCNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206588", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)n1cccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144219", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)cc2c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238194", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)(C)[NH2+]CC(=O)NC[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57997", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C1c2ccccc2[C@@H]2OC[C@@H](Cc3ccccc3)N12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106439", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC[C@@H](O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218216", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NNC(=O)c1cccc2cn[nH]c12)c1cc(-c2ccccc2)on1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103141", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C(C)(C)NCc2ccncc2)sc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239452", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C)oc2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150032", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3417", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34359", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CNc1ncc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74484", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(Cl)c(NNC(=O)c2cccc(NC(C)=O)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211628", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1COC[C@@H](C)N1Cc1cc(Cl)c2c(c1)OCCO2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "229893", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C1N(Cc2ccc(Cl)cc2Cl)C[C@@H]2C[NH2+]CCN12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61135", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1nc(C[C@@H]2CCC[NH+](Cc3c(C)nc4sccn34)C2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124593", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216862", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CSCC[C@H](C)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80568", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C=CC(C)(C)c1cc2ccc(OC)c(O)c2oc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176338", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@H](C)C2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216385", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1nn(C)cc1CN1CCOC[C@H]1CC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79190", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164814", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](Nc1c[nH+]ccc1N(C)C)c1ccoc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76389", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@@H](O)CC(C)(C)CNC(=O)/C=C/c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6903", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCO)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70978", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H]([NH2+]Cc1cccc2cccnc12)c1ccc(Cl)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37631", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccsc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171504", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](C)CC1=O)N2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88515", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule COc1cccc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234016", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85672", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1ccc(N2C(=O)CS[C@@H]2c2cc(OC)ccc2OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129979", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCSC[C@H](C)N(C)C(=O)c1cc(C)nc2ccc(OC)cc12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109957", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)c1ccc(NC(=O)N[C@H]2CCCc3c2cnn3C)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "154835", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34654", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cc(CN2CCN(C(=O)c3ccon3)CC2)cc(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "85853", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(C)(C)CNC(=O)N1CCOC[C@@H]1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206281", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126614", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1[C@@H](C(=O)[O-])CC[NH+]1C1CCC(C(F)(F)F)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30076", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCC[C@H](O)CNS(=O)(=O)N1CCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8523", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(CN(C)C(=O)N[C@@H](C)COc2ccccc2F)cs1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190960", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165461", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(CNC(=O)CN2CCCOC2=O)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238880", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2c(F)cccc2F)NC(=S)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51503", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1cccc(SCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240908", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C1CCCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235997", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule O=C(CNC(=O)Nc1ccc(-n2cccn2)nc1)Nc1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194180", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Cc2ccc(Cl)cc2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3444", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H](NC(=O)C(=O)Nc1cccnc1Cl)[C@H]1CN(C)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60903", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168884", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182397", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CC[C@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216441", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "218656", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1CN(CCO)C(=O)Nc1cccc(Cl)c1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144817", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(Br)c(O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223104", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)cc1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33939", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1SCCc2ccccc21 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108980", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2N(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49131", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1cc(N2CC[NH+](C)CC2)nc(Cl)c1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170567", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[NH+]1CC[C@@H](Cc2nccnc2C(=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81731", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1ccc(C)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14311", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221710", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C([O-])c1nc2c(F)cccc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19381", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ncccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147733", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C([O-])c1ccc(-n2cccc2)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60498", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129981", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CCc1nc(N2CCOCC2)c2onc(-c3ccc(C)cc3)c2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78163", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153897", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115554", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16902", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCCSc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "3226", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CSc1nnc(SC[C@@H]2CCOCO2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241908", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133664", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74949", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1N[C@H](C2CC2)C(=O)N([C@@H]2CCOC2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182556", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)C[C@H](NC(=O)C=C1C[C@@H]2CC[C@H](C1)[NH+]2C)C(=O)Nc1nccs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165847", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule BrCCC[C@H]1CCCC[NH+]1Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78194", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212601", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[NH+](C1CCSCC1)[C@@H]1CCN(c2ccccc2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111326", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)Cc1ccc(C#N)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89233", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=CC1=CCC[C@@H]([N+](=O)[O-])C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10567", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C(=O)C[NH+]2CCC[C@@H]2c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144315", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cccc(CNC(=O)Nc2cc(C)cc3cccnc23)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168300", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1nccc1CNC(=O)Cc1noc2ccccc12 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221018", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nc(C)c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62336", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112200", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule CCCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50920", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CCC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([NH+](C)[C@@H](C)C2CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222111", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2COC(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28583", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOCCN(C)C(=O)c1oc2c(OC)cccc2c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220107", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2nc(-c3cccs3)oc2C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81501", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)Oc1ncccc1CNC(=O)c1cnccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89821", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCCN(Cc1cccnc1)C(=O)c1sccc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162376", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cn1nnnc1-c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223018", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Clc1ccc([C@@H](Cl)[C@H]2COCCO2)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185492", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCC[NH2+][C@H](Cc1ccncc1)[C@H]1CSCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "241356", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129847", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(C)NC(=O)CCN1C(=O)[C@H](C)SC1=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17632", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CCC[C@]([NH3+])(c2nc([C@]3(C)CCCO3)no2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155806", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)(C)C(=O)/C=C\\c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48693", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ncccc1C(=O)O[C@@H]1CCC[C@H](C(F)(F)F)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69431", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(C[C@H]1SCCNC1=O)Nc1cc(Cl)cc(Cl)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37111", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CS(=O)(=O)NC1CCN(C(=O)CCCSc2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133377", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183641", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN1C(=O)CCc2cc(NC(=O)c3cscc3C)ccc21 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199136", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9912", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)CCCC[NH3+])C1CCC(C)(C)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156638", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CCOc1ccc(F)c(C(=O)NCC(=O)N(C)C)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145337", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149688", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N[C@@H]1CCOC1)c1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40389", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(C)c(Nc2nc(C)nc3sc4c(c23)CCC4)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157277", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1cc[nH+]c(N2CCO[C@H](c3cccc(O)c3)C2)c1=O by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43501", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156669", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1csc(SCc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152030", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1ccc([C@H]2N=C(CS[C@@H]3N=NC(=O)c4cc(-c5cccs5)nn43)[C@H](C)O2)c(OC)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30468", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238900", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21265", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN1C(=O)c2cc(C(=O)NCCC3=c4ccccc4=[NH+]C3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213906", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCC[C@@H]3O)cc2F)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239004", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1c(C)cnc(COc2cccc(N)c2C)c1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236210", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112868", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule NC(=O)c1cc(NC(=O)[C@@H]2CC=CCC2)ccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67957", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(C)(CC(=O)N1CCc2ccccc2C1)CC1=Nc2ccccc2S(=O)(=O)N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89799", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@H](Cc1ccccc1)c1cc(C(F)(F)F)ccc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131048", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)N(C(=O)c1ccc(Br)s1)C(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153066", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(F)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108759", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule NC1=C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)N=[NH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58405", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCCCOc1ccc(F)cc1)N1CCCCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63111", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(c1ccc([O-])nn1)N1CCN(Cc2ccncc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75174", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)CCC(=O)NC(C)(C)c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184206", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1nc(-c2cccc(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)c2)n[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246923", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CCc1ncc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50249", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c[nH]1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188931", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nnc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc12 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28929", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2ccccc2)CC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245761", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNC(=O)C1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124354", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228113", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Nc1ccccc1)c1ccc(C(=O)N2CCOC[C@@H]2CCO)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33723", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2C)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168270", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110242", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)Cc1noc(C[NH+](Cc2cccc(Cl)c2)C(C)C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94750", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CNC(=O)NC(=O)[C@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118123", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSCCN(C)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81953", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1CCN(C(=O)c2csc(C(C)C)c2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8465", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(C)c1ccccc1NC(=O)CCSc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34931", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cc1O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180116", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)CCc1c(C)[nH]c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169236", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(C[C@H]1CCC[NH2+]C1)c1ncc(Cl)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88172", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C1N=C(N2CCCCC2)S/C1=C1/C(=O)Nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "286", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H]1NC(=O)/C(=C/c2ccccc2Cl)NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156373", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CNC(=O)CCCn1cc(C(=O)[O-])cc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215583", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26967", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(F)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "226415", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Cn1ncc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1-n1cccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134666", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CN(CCC#N)Cc1ccccc1OCC(F)(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96940", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145154", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCCc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142943", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189874", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NCc1cccnc1)[C@@H]1CCC[NH+](C2CCN(Cc3nccs3)CC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86031", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CNS(=O)(=O)c1cc(C(=O)NCc2cccs2)c(C)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35837", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7301", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132874", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@H](C)n1ncc(C(=O)NCc2ccc(C)s2)c1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69412", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81865", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)N(CCC[NH3+])C1CCCCC1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145546", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cn1nc([C@H]2CCC[NH2+]C2)c2nccnc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28446", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H]1C[NH+](Cc2ccc(C[NH2+]C(C)(C)C)cn2)C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61316", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H]1CCC(=O)[C@@H](CCc2ccc3c(c2)CCO3)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19442", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc(-c2cccnc2)cs1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223191", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CO[C@@H]1C(=O)C(C(C)=O)=C(O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81515", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC3(CCCCC3)CC2)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "143634", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc2sccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235512", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCS[C@@H]1CC[C@@H](NC(=O)NC2(c3nccs3)CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245703", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75126", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51709", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190360", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCCn1cccn1)NCC1CCCCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113303", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(N)nc(-c2ncc[nH]2)[nH]c1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95679", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)c1n[nH]c(SCC(=O)c2c[nH]c3ccccc23)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148375", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C(=O)N/N=C/c2ccc(C)s2)[nH]n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183041", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13597", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCSc2ccc(F)cc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169763", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(C)C[C@H]1Nc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152834", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49354", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=[N+]([O-])c1ccccc1/C=N/Nc1nncc(-c2ccccc2)n1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145639", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212738", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234176", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230695", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74283", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[NH2+][C@H](C)C(C)(C)C[NH+](C)CCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170837", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)C(C)(C)C[NH+](C)C[C@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249234", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C=C[C@H](O)[C@@H](F)C(=O)OCC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225901", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209026", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@H]([C@]2(O)CCCCC2(C)C)CC[C@H]1C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74089", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)c1cccc(Cl)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146811", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1csc(CC[NH2+]C[C@@H]2C=C[C@@H]([NH3+])C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "24853", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25587", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cc2c(C(=O)Nc3ccc(F)cc3F)cn(CC(C)C)c(=O)c2cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137991", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CN[C@]1(C(=O)OC)CCC[C@@H]1CCn1cc(Cl)c(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64889", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "977", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC(=O)c1ccc(CC(N)=O)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235910", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[C@@](C)([N+](=O)[O-])[C@@](C)(CC)[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176935", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N(C)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52000", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1cccc(CCNc2cc(-n3cccn3)nc(N)n2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106914", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(F)ccc1C(=O)OCc1nncn1C1CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88690", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(C[NH2+]Cc2ccc(Br)c(C)c2)c1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210746", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule C[NH+]1CCN(CCC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2cc(F)ccc2F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26129", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H]1OCC[C@@H]1C(=O)NCCCC(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67331", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc(C[C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C2CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206191", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(NCc1nccc2ccccc12)c1cnn(-c2cccc(Cl)c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90153", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "174674", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC(=O)C(C)(C)NC(=O)c1cc(Br)cn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89288", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215506", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1c(C[NH+]2CCC(CS(N)(=O)=O)CC2)nnc1-c1ccccc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239209", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16756", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]CCc1n[nH]c(-c2cccnc2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192295", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)/C=N\\C(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210508", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(N(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184620", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[NH+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H](C)c1cccc(O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198425", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(O)CC[NH+]1CCC[C@H]1C1CC[NH2+]CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10059", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCc1cccnc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9666", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Fc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1F by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187415", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN1CCc2cc(C[NH2+]C3CCN(c4ccc(C(=O)NCc5ccc6c(c5)OCO6)cc4)CC3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131387", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOC(=O)C(=O)N1CCN(c2cnc3ccccc3n2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183022", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C=C(C)C(=O)[C@H]1CCOc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141332", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103520", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)Oc1cccnc1C(=O)NCc1cnn(Cc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165982", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "202057", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12955", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1cc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16455", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175637", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](C(=O)Oc1ccc2cc(Br)ccc2c1)S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189251", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC[C@H](Cc1ccc(O)cc1)[NH2+]CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131790", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Clc1cccc(-c2cnc(CSc3nnc(Cc4ccccc4)o3)o2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119249", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C[n+]2c(C)n(-c3ccccc3)c3ccccc32)cs1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118019", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161946", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN(C[C@@H]2CCCO2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188078", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3F)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182295", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc(F)c(NC(=O)N2CCC(c3nc(C)no3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103850", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53330", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOC(=O)C1(C)CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92468", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC[NH2+][C@@H](Cc1ncccc1C)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15905", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@H](O)CNc1c(C#N)nnc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90218", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cccnc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189373", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)[C@](F)(Cl)C(F)(F)F)c(C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216732", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COC(=O)c1n[nH]c2ccc(NC(=O)N(C)CC3CCC3)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223023", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35312", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(N[C@H](CO)c1ccccc1F)c1cnc([C@H]2CCCO2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141641", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167094", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)cn1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157715", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](CSC)N(C)C(=O)c1cccc(OC(C)C)n1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195397", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5502", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H](CC(=O)Nc1nnn[n-]1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103881", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCOc1ccc(NC(=O)CCn2ccccc2=O)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "235127", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36970", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc(C2=[NH+]CN(c3ccc(C)cc3)C(=S)N2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76943", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)c(Br)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69346", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CONC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61782", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1cccc(NC2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96775", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CN(C)S(=O)(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23232", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule O=C(NNC(=O)c1ccncc1)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196154", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131758", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[C@@H]1S/C(=N\\N=C\\c2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118373", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108586", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(N2CC[C@H](CO)C2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8003", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189238", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C#CCCN1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98121", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(Cn2cccc(C(=O)N3CCOc4ccccc4C3)c2=O)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191426", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\\c1ccc(F)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141464", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1ccc2c(c1)sc(=S)n2CN1C[C@H](C)O[C@@H](C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53922", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC1C2CC3CC(C2)CC1C3)C1CCC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "152221", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1Oc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80630", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC(=O)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234697", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1OC by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19164", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(Cl)c(NC(=O)CCc2cc(F)ccc2F)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88811", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc2[nH]ccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238170", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule c1coc(C[NH2+]C2CCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17750", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141396", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CC[NH+]1CCN(c2ccccc2NC(=O)CSc2ccccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56194", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(Nc2nc3ccc(C)cc3s2)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37857", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1Cc2ccccc2S1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168051", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(C[C@@H](C)N[C@H]2CCOc3ccccc32)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217554", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Fc1ccccc1COc1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230866", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]CCN1CCCN(C(=O)Nc2ccc(F)cc2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75113", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1cnc(OCc2nnc(Cc3ccccc3C)o2)c([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "211458", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74536", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(OCC#N)ccc2c1O/C(=C\\c1ccncc1)C2=O by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191396", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule ClCCc1nc2cnccc2n1[C@H]1C[C@H]2CC[C@@H]1C2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172240", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)N1CCCC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44074", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])c1ccc2c(c1)OCCOCCOCCO2 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99020", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191798", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66777", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC[NH+](C)C[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86804", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87674", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(CC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "112223", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\\c1ccco1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25480", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73400", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(CCCC(=O)Nc2ccc(-c3ncon3)cc2)c(C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106693", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133467", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1nc(-c2nc[nH]n2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101055", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1noc2ncc(C(=O)N3CCOC[C@H]3C3CC3)cc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59465", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[C@@H](C(=O)NCc1cc(C)c(F)c(C)c1)C(N)=S .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51486", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130838", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77336", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCc1noc(CN(C)C(=O)c2c(C)cc(C)cc2C)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95763", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC(=O)N1C=C[C@H]2C(C)=C[C@@H]1C(C#N)(C#N)C2(C#N)C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142788", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "214760", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1)C1CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122723", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C)c2c1N[C@H](c1ccc(N(C)C)cc1)[C@@H]1CC=C[C@@H]21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20028", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCOC(=O)C1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "162751", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115022", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64220", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192897", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1071", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2cccc[nH+]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140860", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22774", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCc1ccccc1N1C[C@H](C(=O)N2CCOC[C@H]2C#N)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179235", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COC[C@@H](C)N(C)C(=O)N1CCC(CC(=O)[O-])CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230609", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCC[C@@H](Cc1nc(-c2ccccc2)cs1)[NH2+]C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129218", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)S(=O)(=O)c1ccc2c(c1)c(C(N)=O)cn2C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "82729", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120686", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1nn(-c2ccc(Cl)nn2)c(CC)c1CC(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104359", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1noc2ncnc(N3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222848", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@]1(C2CC2)CN(CC2CC2)c2ccccc2C[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153916", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135536", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)NCC[NH2+]C[C@@H]1Cc2ccccc2S1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238122", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132916", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2cccc(F)c2Cl)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171969", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1cccc(C2=CCN(C(=O)c3cccnc3-n3cccn3)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79823", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H]1CN(C(=O)c2n[nH]c(C3CC3)n2)CCO1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13230", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule Cc1ccccc1C1(C(=O)NCCCc2c(C)noc2C)CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98097", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134663", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(C)c(NNC(=O)C2C[C@@H](C)O[C@H](C)C2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89968", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H](CC(N)=O)[NH2+][C@H](CO)CC(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139063", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H]([NH3+])c1noc([C@@H]2Cc3ccccc3S2)n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219985", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)OCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "500", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCC1CCC(N(C)C(=O)c2nc(C(C)(C)C)n[nH]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189099", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CC[NH+](CC(=O)[O-])Cc1nnc(-c2ccc(C)cc2)o1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123214", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62433", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21665", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(C[NH+]2CCN(CCO)CC2)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27089", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCCN(CC#N)Cc1noc(-c2ccoc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140930", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COC[C@H](C)NC(=S)N1CCN(c2ncccn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200443", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239372", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210560", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CC[NH+]1CC[C@H](CNCc2ccc(C(=O)[O-])cn2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54194", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(NC1CCN(C(=S)NCc2ccco2)CC1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147872", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H]1C[C@@H]1C(=O)N1CCN(c2c(F)cc(C#N)cc2F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248058", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C=CCOc1ccccc1C(=O)N/N=C(/C)c1cc(O)ccc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64639", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8862", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc(C)c([C@@H](C)NCC[C@H]2CSCC[NH2+]2)s1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48605", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cscc1C(=O)N[C@@H](C#N)c1ccccc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155800", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(NC(=O)CCCCl)n(-c2nc(C)c(C)c([O-])n2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199846", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@H]1CCCN(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101077", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105065", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(CBr)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97771", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3C)c3ccccc3S2)cc1OC by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230568", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236402", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc2c(cc1OC)CN(C(=O)NC[C@H](C)Cn1cccn1)CC2 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76634", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223145", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1CC[NH+](Cc2csc(CS(C)(=O)=O)n2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "6253", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)c1ccccc1NC(=O)c1ccc(Cl)o1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228330", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141738", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1cccc2c1=[NH+]C(=O)[C@@H](CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)C=2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98774", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C)cc(C2=CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163343", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132057", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H]1CCN(C(=O)c2c(F)cccc2F)C[C@H]1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159309", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule CS(=O)(=O)N1CCC[C@@H](C[S@@](=O)c2ncccc2N)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201157", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COCCN(C(=O)C[NH+]1[C@@H](C)C[C@H]2CCCC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59207", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCS(=O)(=O)c1ccc2oc([C@H]3CC[NH+](CC4CCCCC4)C3)nc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108319", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](CNC(=O)c3cccnc3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201860", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)Nc1cc(NC(=O)CCC(=O)c2ccc(F)cc2F)ccc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122322", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule NC(=O)CN1CC[NH+](Cc2nc(C3CC3)no2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248033", "split": "OpenMolInst" } }, { "instruction": "Add a nitrile to the molecule O[C@H](c1ccc(Cl)cc1)c1ccccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117838", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "207813", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cccc2c(CC(=O)NCc3ccnc(OC(C)(C)C)c3)c[nH]c12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "84735", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COCCCN1C(=O)S/C(=C\\c2sccc2C)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248765", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CCOCCSc1ccccc1S(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89373", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90990", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COCc1cccc(NC(=O)N[C@H](C)c2ncc(C)s2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32084", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(C[n+]1ccc(C(=O)NCCO)cc1)c1ccc(-c2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160840", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106939", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190908", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc(CN(C)[C@H]2CS(=O)(=O)c3ccccc32)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147413", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H]1COCCN1C(=O)Cc1ccon1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172639", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108591", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113171", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C1CCC[C@H]1[C@@H]1CCC[NH+]1CC1CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90308", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155433", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236637", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(c1cccc(-c2ccoc2)c1)N1CCCC[C@H]1C1OCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183418", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@H](C)NC(=S)NNC(=O)c1ccncc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157875", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@@H](Sc1ncccn1)c1c(F)cccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10741", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1nccc1CNc1ccc(C)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240020", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@H](NC(=O)Cn1cccc1C(=O)[O-])c1cccs1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "160753", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H](CNC(=O)Nc1ccc(C)c(C(N)=O)c1)[NH+]1CCc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "64322", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15238", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29574", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=S(=O)(Cc1nc(-c2cccs2)no1)c1ccc2ccccc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18990", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)C[C@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131553", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(S(=O)(=O)/N=C(\\[O-])c2cc3c(s2)CCC3)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125251", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150652", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C#CCN(C(=O)NCc1ncc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66545", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139392", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(Cl)c2c1NC(=O)C2 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118264", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCNC3=O)cc2)o1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130894", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([O-])n(-c2ccccc2)c(=O)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "7235", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC[NH2+][C@H](C)c1cnc([C@H]2C[NH+]3CCN2CC3)nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73154", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CO[C@H](C)c1cccc(NC(=O)NCCC(=O)Nc2ccc(C)cc2Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33627", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(C)n2c(CN(CC(F)F)C3CC3)cnc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48366", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1cccc2cc(C(=O)Nc3nnc(CSc4ccccc4)o3)oc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129297", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccncc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131080", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+]1CCC(C[NH+](C)Cc2ccn(Cc3ccccc3)c2)CC1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145818", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141775", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C1C[C@H]([NH2+]C(C2CC2)C2CC2)CN1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146660", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+]C[C@]1(c2cc(C)cc(C)c2)CCC[C@H]1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189054", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(Cc2ccccn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72104", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1C[NH+]=C(N2CCN(Cc3cnnn3C)CC2)S1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127437", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)c1ccc(C(=O)NC2=NCCS2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210835", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1cccc(OC(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125422", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cc(NCc2c[nH]nc2C(C)(C)C)c(OC)cc1Cl by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55151", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(=O)N1N/C(=C2\\C(=O)N(C)C(=O)N=C2[O-])C[C@@H]1c1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "42308", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C=CC[n+]1c(Nc2ccccc2OC)sc(NC(C)=O)c1-c1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39282", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C/[NH+]=C(\\[S-])NCCc1c[nH]c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164594", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCN(CC)C(=S)NC(=O)c1cc(Br)ccc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66510", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCc1nc(-c2ccc(F)cc2)c[nH]1)c1nc2ccccc2c(=O)[nH]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "204115", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@H]1CC[C@@H](C)C[NH+]1Cc1csc(CS(C)(=O)=O)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66340", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221482", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1cc2s/c(=N\\C(=O)Cc3ccccc3)n(CCSC)c2cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74286", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Cc1ccccc1OCC(=O)NCCC(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32464", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16539", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2[nH]ncc2C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108147", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Br)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221142", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1OCCC(=O)N[C@@H]1CCCC[C@@H]1C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228528", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65140", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(C)[C@@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc2c(c1)CCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217435", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COc1ccc(F)cc1NC(=O)c1cc2c([nH]c1=O)CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "103080", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule CC(C)(C)C[C@H](CO)NC(=O)c1cncc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184443", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87498", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161966", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC1(C)C(C(=O)NCC2(S(C)(=O)=O)CCOCC2)C1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "108388", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27840", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCC[NH+]1CCCN(C(=O)NCCc2ccc(O)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65469", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55296", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(O[C@@H](C)C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31970", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\\c1ccc(I)o1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128540", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCCn1cncc1[C@@H](O)[C@@]1(C#N)CCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60865", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)N1CCC(N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "23150", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C=C(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "69481", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C)cc(OCCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99008", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C[C@H](O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135744", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1nc(CN(CCO)Cc2cc(Br)ccc2F)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209132", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[NH+](Cc1ccc(/C(N)=N/O)cc1F)[C@@H]1CCSC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94808", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccc(F)cc1F by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242162", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1cccnc1)C(=O)N1CCN(Cc2cccs2)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59752", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1O2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "115341", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule Cn1c(CNc2c3c(nc4nncn24)CCC3)nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92052", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](CCO)c1ccccc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150837", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2ncccc2F)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238476", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C(C[NH+]1CCC(O)CC1)Nc1ccc(N2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105282", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@H](C)N1C[C@@](C)(C2CC2)[NH2+]CC12CCCCC2 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233060", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146900", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC(C)[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5042", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ccco2)c1C by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39739", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1ccncc1)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155413", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25484", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCC[NH2+]C[C@@H](C(C)C)N1C[C@@H]2CCCC[NH+]2C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17286", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@@H]1SC2=C(CCCC2)[C@H]1C(=O)Nc1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "172560", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)nc(N/C(=N/C(=O)NC23CC4CC(CC(C4)C2)C3)N2CCC[C@@H](C)C2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150721", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(NCCC(F)(F)F)N1CCOc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199169", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116602", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCCN(CCCl)c1ncnc2c1CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118791", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183353", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(=O)Nc1cccc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58126", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CSc1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "239724", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1ccc(O)c(C[NH+](CCO)[C@H]2CCc3ccccc32)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87085", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]([NH2+]C1C(C)(C)C1(C)C)c1ccc(S(C)(=O)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29108", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]1C[C@@H]1CNC(=O)CCn1nc([O-])c2ccccc2c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74368", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)[C@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(C(=O)N(C)CCc2cccc3ccccc23)o1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157558", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCn1cc(C(=O)O[C@H](C)c2ccccn2)c(C(C)C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225311", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](C)CCn1ccc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)n1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43570", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[NH+](Cc1ccc(OC)c(O)c1)Cc1ccccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220447", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(Cl)cc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "184788", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](OC[C@@H](O)CN1CCn2c(nn(C)c2=O)C1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "99049", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)Oc1ccccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156079", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC(C)CN(C(=O)NCC1CCC1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76319", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145982", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule N#C/C(=C\\c1ccc(N2CCOCC2)cc1)[C@@H]1[NH+]=c2cc(Br)cnc2=[NH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22585", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC(=O)c1cc2c(cc1NC(C)=O)OCCO2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "72115", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cncc(-c2ccnc(Cl)n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225037", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1c(C)nn(C)c1C by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117062", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C(=C/c1ccccc1)\\C[NH2+]Cc1ccon1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222928", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COCCCNc1ccc(N)c(OC(C)(C)C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59200", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule O=C(NC[C@@H](CCO)c1ccccc1)C1=NO[C@@H](c2ccccc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94099", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nn(C)cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215767", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule COc1cccc(C[NH+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111746", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Fc1ccccc1COCC1(CS)CCOCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67635", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(N[C@@H]1CCOC2(CCCC2)C1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76444", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)Cn1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153276", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@@]1(C(=O)OC)CCC[C@H](Sc2ccc(F)cc2)C1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71107", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CSc1cccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111280", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCn1c(=O)c(C(=O)Nc2ccc(C)cc2Cl)nc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194814", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC[NH+]1CCN([C@@H]2CC[NH+](Cc3ccccc3N3C[C@H](C)O[C@H](C)C3)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "114047", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(OCc1nnsc1Cl)[C@@H]1COc2ccc(Cl)cc2C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110720", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18641", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)nc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35622", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1ccc[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "104652", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1cccc(C/C([O-])=N/S(=O)(=O)Cc2ccccc2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50580", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1ccc(C[NH+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51341", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc([C@H](NC(=O)Nc2cccc(F)c2C)C2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95003", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(C(F)(F)F)c2)n(C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45199", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C=CCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27507", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(/C=N/c2ccccc2)c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53064", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CC[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249241", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1nccn1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30980", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249299", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)O[S@@](=O)c1cccc2ccccc12 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105681", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nccs4)CC3)cc2[nH]c1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178732", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H](CC1CCOCC1)[NH2+]C[C@H](O)C1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146061", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "222572", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146268", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1/C(=C/c2ccc[nH]2)c2ccccc2N1c1ccccc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171413", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCc1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "228567", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule N#Cc1cc2c(nc1NC(=O)c1cncc(-c3ccccc3)c1)CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98303", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=[N+]([O-])c1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "130581", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105924", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C(CO)CO)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65604", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+][C@H](c1cncc(Br)c1)c1cccc(C)c1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66229", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC/[NH+]=C(/NC[C@@H](C)CN1CCOCC1)N1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "164650", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Nc1nnc(SCC(=O)NCCc2cc(N3CCCC3)ncn2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101973", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)N1CCC[C@@H]2CCCC[C@@H]21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14415", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cccc(Br)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22999", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1cc(-c2cc3nc(C)c(C)c(NCCN4CCCC4=O)n3n2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232763", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CS[C@@H]1CCC[C@@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "123615", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "199522", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)N(C)C)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48455", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOc1cc(C(=O)NCc2c(CC)nn(C)c2OC)ccn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153661", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(Cl)cc2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242708", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1nc2c3ccccc3nc(SCC(=O)N(C)[C@@H](C)CC(C)C)n2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "83331", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1nn([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244493", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(c1cc(Cl)ccc1Cl)c1ccccc1C[N+]1=CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246501", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule O=C(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)NC1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242543", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Cc1cccnc1)N1CCCC[C@H]1c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "192102", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NCC3(C4CC4)CC3)ccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32843", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncccn2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "173428", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C1N[C@H](c2ccc(F)c(-c3cccs3)c2)N2CCOC[C@@H]12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196802", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)oc2c1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29911", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "14580", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CN(CCC(N)=S)C(=O)COc1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16593", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C1NCCN(C(=O)C[C@@H]2C=CCC2)[C@H]1c1cccc(F)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "45662", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "90622", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccccc1N1CCN(C(=O)c2nc(C)sc2-c2ccccc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186135", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C(Cc1cccc2cccnc12)N1CCOC[C@@H]1C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "55479", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)c1nc([C@H](C)[NH2+][C@H](C)c2nccs2)cs1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "40044", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOC(=O)/C(=N/O)c1csc(N)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75329", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccc(Cl)cc1CCNC(=O)NCCc1cccnc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "248783", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCSc1nnc(S[C@H](C)C(=O)N(C)Cc2ccccc2C)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "117963", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(CCO)C1CCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183807", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "951", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[S@](=O)c1ccccc1NC(=O)C[C@@H]1OCCc2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "128740", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "194840", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc(Cl)c1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "80050", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc2oc(C(=O)N3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)cc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170772", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)Oc1ccccc1CC(=O)N1C[C@@H](C)S[C@H](C)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22853", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CCS(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150576", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@@H](C(C)C)N1CCC(=O)N2CCCC[C@@H]2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167546", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C1=C[C@@H]([NH+]2CCN(c3ncccn3)CC2)CCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93866", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COCC[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200763", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(N2/C(=N/C(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100669", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96025", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(S(=O)(=O)NN=Cc2ccc(C(C)C)cc2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73435", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17442", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccccc1[C@@H]1CN(C2CCSCC2)[C@H](C)CO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81390", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118777", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CC[C@H]([NH3+])[C@H](Sc1ccncc1)c1ccc(Br)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197480", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH2+][C@H]1[C@H](N(C)Cc2cnn(C)c2)CCCC1(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70011", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C/[NH+]=C(/NCc1cc(F)cc(Br)c1)N[C@H]1C[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "134335", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@]1(c2ccccc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148942", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(CO)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175256", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C=CCc1cc(-c2ccccc2)cc(C=O)c1OCC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118181", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cccc2sc(NC(=O)Cc3ccc(C)cc3C)nc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163403", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C[C@@H](N)c1cc[nH+]c(N(C)C2CCCCCC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244387", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(CCOCC1CC1)C(=O)C(C)(C)CCl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181266", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccc(F)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139828", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCSC(C)(C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "9136", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CN(C)C(=O)N1CCC(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "244559", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(NNc1cnccn1)Nc1ccccc1Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "182777", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CN1CCc2ccc(NC(=O)N3CCC[C@H]3CN3CCOCC3)cc2C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122035", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule O=C(COc1ccc(Br)cc1F)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150693", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CC(C)OC(=O)[C@H](C)CNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "21159", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=CNc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75957", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2ccccc2F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "39244", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65207", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@H](N)C[NH+](Cc2nnc(-c3cccs3)o2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242813", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1ccc2ncc(C(=O)Oc3cccc(N4CCCC4=O)c3)n2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155243", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2[C@H]2CCC[C@@H](C)[C@H]2C)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50618", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(Nc1cccc([C@H]2C=c3ccccc3=[NH+]2)c1)C1CCN(C(=O)C2=CCCC2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125616", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H]([NH2+]C)[C@H](CC)N1C[C@@H]2CCC[NH+]2C[C@@H]1C by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60765", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197495", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13650", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](NCCc1ccc(F)cc1)c1nc2c(s1)CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "142209", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(F)cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132748", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCc1cccnc1)c1n[nH]nc1Nc1ccc(Cl)cc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "139894", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule Cc1ccc(N[C@H](C)C(=O)N(C)CCC#N)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195586", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCN(CC(=O)NC)[C@@H]1CCC[NH+](Cc2ccccc2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170796", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "216233", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule CC[C@H]1C[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148247", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule COc1ccccc1OC[C@H]1CN(C(=O)Cc2cccs2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "234165", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(Cl)nc3)C2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206519", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)nc1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "32237", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@H]([NH2+]Cc1ccc(F)cc1)c1cc(F)ccc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "145567", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCOCCN(C)C(=O)C(=O)Nc1ccc(C)nc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25557", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[NH2+]C/C(=C\\c1ccc2ccccc2c1)C(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186731", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule N#Cc1ccccc1Cn1cccc1C(=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "58909", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)C[C@H](C)O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "149988", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC[C@@H]1CN(CCSc2ccccc2)[C@H](C2CC2)C[NH2+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "44407", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCN1CCN(C(=O)[C@H]2Cc3cc(S(=O)(=O)N(CC)CC)ccc3N2C(C)=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88538", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule O=Cc1cnccc1-c1cccc(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "132228", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223694", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCOc1ccc([C@H]2C[NH+]=C(N)N2C(C)C)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236155", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)(C)c1cc(C(=O)Oc2ccc3c(c2)OCCO3)[nH]n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189356", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule [NH3+]CC1CCC(C(=O)N[C@@H]2CONC2=O)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12066", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCN(CC)C(=O)CCC(=O)N1CCCN(C(N)=O)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73196", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(C)n2c(SCc3ccccc3)nnc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191545", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53472", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(COC(=O)COc1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "107911", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79464", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COCC1CCN(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187468", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)C1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "33126", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc(-c2ccncc2)n[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75482", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@@H](C)Nc1ncnc2c1oc1ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183114", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cnc(N2CCNC(=O)[C@H]2C(C)C)c([N+](=O)[O-])c1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119792", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65295", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135292", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1noc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75493", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[C@H](NC(=O)C1CCCC1)c1ccc(OC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "195954", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c2ccccc21 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232366", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN/C(=[NH+]\\C)SCC(=O)N1CC[C@@H](C)Sc2ccccc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34001", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)(C)c1ccc(NC(=O)c2ccc(N3C(=O)CSCC3=O)cc2)cc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159866", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217589", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71655", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@](C)(O)c1cccc(OC(C)C)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60362", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(C(=O)N(C)C)cc1N[C@H]1CC[NH2+]C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "237434", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146638", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1CCN(C(=O)c2ccc3nncn3c2)[C@@H](C)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "29014", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCNC(=S)N[C@@H]1CCCc2ccccc21 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "213529", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nn(C)cc1-c1cc(-c2cnn(-c3ccccc3F)c2)nc(N)c1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "77277", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1CC[NH+](CCNC(=O)[C@@H]2SCCc3sccc32)CC1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "169684", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[NH+](CC)Cc1ccc(C[NH2+]C(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "209388", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COCc1ccc(C/[NH+]=C/c2ccccc2O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159897", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)on1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26867", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(NCC(F)(F)F)[C@@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178441", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1(C)CCC([NH+]2CCCC[C@@H]2CC(N)=O)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "95249", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule [NH3+]C[C@@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196084", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "200439", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1cc(C)n2nc(C(=O)NC[C@H](C)Oc3ccccc3Cl)nc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "153033", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CN(CCC(F)(F)F)c1cc[nH+]c2ccsc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76938", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)[C@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "183943", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67929", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1COCCN1C(=O)NCc1cc2ccccc2o1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78223", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule O=C(Nc1cccc2cccnc12)C1(c2cc(-c3ccccc3)on2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61385", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2ncccc2c1)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109459", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(Cl)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198643", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule C1CC(C[NH+]2C[C@H]3CC[C@@H]2CN(Cc2nnc(C4CC4)o2)C3)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "223721", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(OC)c(CN2CCN(c3nc(C)nc4c3CC[NH2+]C4)CC2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "81185", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule [NH2+]=C1NC[C@H]([C@@H]2CCOC2)N1c1ccc(Cl)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "240898", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1cccc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "121020", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(NC(=O)CNC(=O)c2ccc([O-])nn2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50371", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCn1cc[nH+]c1CN1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180411", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC[C@@H](C)C(=O)Nc1ccccc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "111474", "split": "OpenMolInst" } }, { "instruction": "Please add a nitrile to the molecule OCc1ccc(OCCC2OCCCO2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76527", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "191869", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(C)(C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "217079", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1c(Br)cc(C[NH2+]Cc2ccco2)cc1Br by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31755", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC(C)CCOc1cccc(N2C[C@H]([NH3+])CC2=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129871", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2ccco2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62384", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCCc1[o+]cc(-c2ccccc2)c2c1CCCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161771", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "144928", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COC[C@@H](O)C[NH+]1CCC(N[C@H]2CCOc3ccc(C)c(C)c32)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75825", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1ccc(C(=O)N2CCCSc3ccccc32)nn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "57983", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCc1ccccn1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201232", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccn(CC#N)n1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156763", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCOc1ccc2nc(S[C@@H](C)[C@@H](C)C(=O)NN)[nH]c2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "131793", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nc(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)n[nH]1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66325", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1cc(C#CCCO)ccc1OCc1ccc(O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "13500", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219552", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCc1cc2c(Nc3ccncc3)ncnc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "197097", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(C[S@@](C)=O)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8311", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCNc1cccc(CN2CC[C@@H](c3ccccc3)C2)[nH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "56340", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "53169", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+]([C@@H](C)CC)C3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51965", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106645", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCO[C@H](C)c1noc(C[NH+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190868", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule CCC1CCC([NH2+][C@H](C)[C@@H]2CN(C)CCO2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "15955", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1cccc(-c2nnc3ccc(OCCNC(=O)c4cc5ccccc5o4)nn23)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37829", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=c1ncn(CCc2c[nH]c3ccccc23)cc1-c1ncc(C(F)(F)F)cc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "196634", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCn1cc(C(=O)N(C)[C@@H](C)c2ccncc2)cn1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245100", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)cc1N1CCOC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75455", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCC[NH+](CC)Cc1ccc(C(=O)OC)cn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27376", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1cccc(NC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "113281", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(C[NH+](C)CCS(C)(=O)=O)cc1/C(N)=N/O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "79651", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNc1ccc(Cl)cc1C(=O)NCC1C(C)(C)C1(C)C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125380", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190714", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CSC[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "156587", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule C[C@H]1Oc2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2NC1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180814", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=Cc1cccc(OCC(=O)NCc2nnc3ccccn23)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92338", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)c(C#N)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "157094", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "43324", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)[C@@H]1CCCO1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20618", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)C1(N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76302", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)c(OC)c1OC by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198925", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CNC(=O)Cc1ccc(NC(=O)NC)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "74704", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C#CCNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125148", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1c(F)cccc1Cl by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86152", "split": "OpenMolInst" } }, { "instruction": "Please add a thiol to the molecule COCCCN1C(=O)c2cccc3cc(NC(C)=O)cc(c23)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "187095", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule C/C(=N\\NC(=S)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88890", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(CNC(=O)CN2CC[NH+](Cc3ccccn3)CC2)ccc1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212911", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206456", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NS(C)(=O)=O)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30157", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCCO)NCCc1cccc2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127931", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "48809", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[NH+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19399", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176496", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=C(CN1C(=O)C[C@@H](c2ccco2)S(=O)(=O)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88147", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "19961", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "135457", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule CC(C)NC(=O)NC[C@H]1C[C@H]2CC[NH+]1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146987", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCC2)N2CCOCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230006", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCCCC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16007", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[NH2+]C(C)(C)CN1Cc1ccnc2ccccc12 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "221036", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CCSc1cncc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193556", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nccn1-c1cncc(N2CCN(c3cc[nH+]cc3Cl)CC2)n1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "94883", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1cc(C(=O)NC[C@@H](O)c2ccco2)ccc1OC by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "20432", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CCOc1ccc(C=O)cc1[C@H](C)CC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "220872", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCC[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)CCO1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "62492", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCCO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "212953", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Clc1ccc(C2SCCCS2)c(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "188680", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule CC[C@H]1CCCCCN1C(=O)c1cccc(OC)c1F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61207", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "166451", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule O=C1C(Br)=C[C@H]2[C@H]1[C@H]1C=C[C@]2(Br)C12OCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "181441", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@H](CCCO)NC(=O)Cc1ccc(O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236351", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1cc(C#N)ccc1OC(=O)/C=C/c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "17836", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71438", "split": "OpenMolInst" } }, { "instruction": "Please add a aldehyde to the molecule C[C@@H](c1ccccn1)[NH+](C)CC(=O)NCc1ccccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168954", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule [NH3+][C@H]1CCCC[C@H]1Nc1nc2c([N+](=O)[O-])cccc2o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "245990", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 by adding a thiol.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137572", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(NC(=O)Nc2ccncc2)cc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148322", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[NH+]1CCCN(CN2C(=O)[C@H]3CCC[C@H]32)CC1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "179150", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4275", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule COc1ccc(C)cc1Nc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "28725", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137021", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "105670", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205526", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2c(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168531", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(C(=O)[C@H]3CC(=O)c5ccccc53)CC4)ccc2s1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165425", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc2nc(N3CC(C(=O)N4CCN(CCc5ccccc5)CC4)C3)sc2c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "146549", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[C@@]2(C)CO)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "75528", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@H](CCc1ccccc1F)[NH2+]CCc1nc2cc(F)ccc2n1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "1407", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1c(F)cccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "193001", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule O=C1[C@H](NCc2cccc(O)c2)CCN1Cc1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118717", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1nc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)ncc1C by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124972", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[S@](=O)C(C)(C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "176608", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule O=C1COc2ncc(C(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cc2N1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "118077", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)nc1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "35764", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cn1ccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "170613", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH+]1CCC[C@@H](NCc2ccc(C3CC3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138965", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1CCC2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102089", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18551", "split": "OpenMolInst" } }, { "instruction": "Please add a amine to the molecule O=C([C@H]1CC(=O)N(C2CCCCCCC2)C1)N1CCC2(CC1)OCCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50631", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COCc1cccc(C(=O)N2CCSC(C)(C)C2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "124191", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CSC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246844", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN1CCO[C@@H](CN2C(=O)c3cc(N)ccc3S2(=O)=O)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127705", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccccc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78695", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule Cc1c(Cl)cccc1/N=C1\\NN=C(c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CS1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "116445", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2nc(C)cs2)C2CC2)c1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150907", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(Nc1cc(Cl)ccc1F)N1CCCC[C@@H]1CO .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "161304", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Fc1ccc(-c2noc(CCCn3ccnn3)n2)c(Cl)c1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "233394", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)NC(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10746", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)c1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227944", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 by adding a nitrile.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151462", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule COc1ccccc1NC(=O)N(CC[NH+]1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "151717", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101617", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule COCCOC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "41307", "split": "OpenMolInst" } }, { "instruction": "Please add a carboxyl to the molecule CC[C@@H](C)[C@@H](C[NH3+])N1CCc2ccccc2C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "50974", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(CCN1CCCC1=O)N[C@H]1CC[NH+](CC2CCCC2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10876", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3-c2ccccc2)C1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "22803", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[NH2+][C@@H]1[C@H](Sc2nc(C)cc(C)n2)CCC1(C)C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159170", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc2c(c1)CCN2C(=O)c1ccn(C2CCCC2)n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "59327", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OCC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "219339", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "63385", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CCC(CC)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCNC(=O)C2)[C@@H]3C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "86147", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(Cn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "236278", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN(c1nc2ccccc2n2c(C3CCCCC3)nnc12)S(=O)(=O)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "66170", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2c(=O)[nH]1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "230650", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule Cc1noc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2C)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "16051", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCOc1ccc(NC(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "155242", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ncccc1C(=O)N1Cc2nn(-c3ccc(C)c(C)c3)c(-n3cccc3)c2C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "206181", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C(=O)O1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "78890", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31406", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "247931", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "51591", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule COc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232387", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "133030", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule CS[C@H]1CCCC[NH+](Cc2ccc(OCc3c(C)noc3C)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "54735", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(NCCc1csc2ccccc12)N[C@@H]1C=C[C@H](CO)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "73534", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule CC(C)C1CCC(C[NH3+])([C@@](C)(O)c2ccccc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147167", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule CCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205612", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cn1cc[nH+]c1CCN[C@@H]1CC[C@H]([NH3+])C1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "198250", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccc(F)cc1CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "148988", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 by adding a amine.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "91441", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "5736", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3cncc(-n4cccn4)n3)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "126789", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(/C=C/c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "31412", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1noc(CN(CC)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 by adding a nitro.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67319", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COc1ccccc1[C@H]([NH3+])[C@H]1CCOC2(CCCCC2)C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87912", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CS[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "88074", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule COc1cccc(/C(C)=C/C(=O)OCc2csc(-c3ccccn3)n2)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "120506", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule C[C@@H]1CCC[C@@]([C@H]([NH3+])Cc2ccc(F)cc2Cl)([NH+](C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "243146", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89521", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCc1cnc2c(c1SCC(=O)OC)c(=O)n(C)c(=O)n2C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "18346", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1nnsc1C(=O)NCCc1ccccc1 by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "10101", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@H]1CC[C@@H](Nc2ccc(C(N)=O)cn2)[C@@H]1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "141272", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCc4ccccc4C3)cc2c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "137484", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)[NH+](C)C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150360", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[NH+]1CCN([C@@H]2CCN(Cc3c(C)nn(C)c3OC)C2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159904", "split": "OpenMolInst" } }, { "instruction": "Please add a nitro to the molecule Cc1ccc(/C=C2\\C(=O)N(c3cccc(Br)c3)C(=O)N=C2[O-])cc1[N+](=O)[O-] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "122608", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(N)nc(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "61366", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NC[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1F by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "147791", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule Cc1cc(=O)n2nc(NCCCN3C[C@@H](C)O[C@H](C)C3)sc2n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "163890", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule C[C@@H]([NH2+][C@@H]1CC[C@H]([NH+](C)C)C1)[C@H](C)c1ccccc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38674", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@H]2c2ccccc2F)nc1C by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "238758", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CCCC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "38097", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCC[C@H]1[C@H](C)CCCN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "71207", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CC[NH+](CC(=O)N[C@H](C)c1ccc(F)cc1)[C@@H](C)C(C)C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246028", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CCC[C@@H](C#N)NC(=O)COc1cc(Cl)cc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "25371", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1cc(C)n(-c2ccc(CNC(=O)N3CC[C@@H](C)[C@H](O)C3)cn2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "185223", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule O=c1[nH]c2ccccc2nc1/C=C/c1cccc(F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "189697", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule Cc1ccccc1-n1c(CCl)nc2ccsc2c1=O by adding a hydroxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "150235", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(CN2CCN(S(=O)(=O)N(C)CCC#N)CC2)no1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "249222", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule COc1ccccc1C[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "231259", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CONC(=O)C1(c2ccccc2Cl)CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "100801", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule COC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "60861", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CNc1ncc(F)c(-c2cnn(C)c2)n1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "109373", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule COc1ccccc1C[C@@H](C)C[NH3+] .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "36893", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)NC1CCCCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "140040", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(NCC[NH+]1CCCCC1)N1CCC(OCc2ccccc2)CC1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "167262", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c(Br)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "89283", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@@H](c1cccc(Cl)c1)[NH+](C)Cc1ccc(Br)cc1N by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "171300", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "12453", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule Cc1cc(S(=O)(=O)Nc2cccc3cccnc23)ccc1Br .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "242522", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cnn(C)c2)cc1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "101402", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCC(C)(C)N1CCOCC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "190989", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)C(N)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "93847", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)[C@@H]1CCC[C@H]([NH+](CC2CC[NH2+]CC2)C2CC2)CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "49171", "split": "OpenMolInst" } }, { "instruction": "Add a thiol to the molecule Cc1cc(C)cc(C[S@@](=O)[C@@H](C)CC#N)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "34971", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CC(C)(C)OC1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "27130", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(C)CNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "125811", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CC[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1OC(F)F .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "165445", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule CCN(CC(C)(C)O)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "208956", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC1CC[NH+](CCC(=O)Nc2ccc(F)c(N)c2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "76052", "split": "OpenMolInst" } }, { "instruction": "Add a amine to the molecule CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(NC(C)=O)c2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "127938", "split": "OpenMolInst" } }, { "instruction": "Add a aldehyde to the molecule Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)o1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "210077", "split": "OpenMolInst" } }, { "instruction": "Add a nitro to the molecule Cc1nn(CCO)c(C)c1C[NH+]1CCC[C@H](CCC(C)C)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "46312", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1cc(C)n(-c2ccc(NCC[S@@](=O)Cc3ccccc3)nn2)n1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "246471", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COc1ccc(C[NH+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "4516", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule COc1ccc(NC(=O)[C@H]2N=NC3=C2CCc2ccccc23)cc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "70024", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COc1ccccc1CNC(=O)c1nn(C)c(=O)c2ccccc12 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "8558", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ncc(-c2ccccc2)s1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "215593", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H](NC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1 by adding a carboxyl.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "227041", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1-n1cncn1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "201299", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COc1cc(C)ccc1OS(=O)(=O)c1cccc(Cl)c1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "138034", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule COC(=O)[C@]1(N)CCC[C@@H](Oc2ccccc2CO)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "96039", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC[C@@H]([NH3+])Cc1ccccc1OC[C@@H]1CN(CC)CCO1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119743", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCOCC[NH2+]Cc1ccc([S@](C)=O)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "232014", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccncc3)cs2)cc1 by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "119357", "split": "OpenMolInst" } }, { "instruction": "Please add a halo to the molecule Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "37783", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1CS(C)(=O)=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "52372", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C(CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)NC1CC1 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "178809", "split": "OpenMolInst" } }, { "instruction": "Add a benzene ring to the molecule C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCO2 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "97409", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC(=O)N1CC[C@H](CN(C)C(=O)CCCn2ccc3cc(Cl)ccc32)C1 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "102608", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccc1NN by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "67448", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule COC(=O)C[C@@H](C)SC[C@@H]1CSc2ccccc21 by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "159653", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule COc1cc(C)c(I)c(C)c1C#N .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "26160", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCO[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C12CCCCC2 by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "378", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule Cc1ccccc1NC(=S)N(Cc1ccncc1)Cc1ccco1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92503", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule COCCN1C(N)=[NH+]C[C@H]1c1ccc(C)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "205932", "split": "OpenMolInst" } }, { "instruction": "Please add a amide to the molecule C=CCc1cc(C(=O)CC)ccc1OC .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "30546", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC1CCC(CNC(=O)NCc2ccc(C(=O)[O-])o2)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "98001", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "175317", "split": "OpenMolInst" } }, { "instruction": "Add a halo to the molecule O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "110168", "split": "OpenMolInst" } }, { "instruction": "Add a carboxyl to the molecule COC(=O)c1c(NC(=O)c2oc3ccc(OC)cc3c2C)sc(C)c1C .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "225861", "split": "OpenMolInst" } }, { "instruction": "Please add a hydroxyl to the molecule CC(C)(COc1cc(F)c([N+](=O)[O-])cc1F)C(=O)NN .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "180430", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule O=C([O-])CCCc1nc2cc(Br)ccc2o1 by adding a amide.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "87547", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule C[C@H]1SCCN(C(=O)c2c[nH]c3ccccc3c2=O)[C@@H]1C by adding a benzene ring.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "168097", "split": "OpenMolInst" } }, { "instruction": "Add a hydroxyl to the molecule CN[C@]1(C#N)CC[C@@H](Oc2ccc(C)cc2)C1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "106317", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CCCCOC(=O)Cc1nnc(=O)[nH]c1[O-] by adding a halo.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "129640", "split": "OpenMolInst" } }, { "instruction": "Modify the molecule CC[C@@H](COC)NC(=O)c1sc2cccc(C)c2c1Cl by adding a aldehyde.", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "65045", "split": "OpenMolInst" } }, { "instruction": "Add a amide to the molecule CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1c(F)cccc1Cl .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "186981", "split": "OpenMolInst" } }, { "instruction": "Please add a benzene ring to the molecule CCS(=O)(=O)N1CC[NH+](Cc2cccc(OC)c2OC)CC1 .", "input": "", "output": "", "metadata": { "task": "open_generation", "sub_task": "add_component", "index": "92554", "split": "OpenMolInst" } } ]