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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1.O=C1CCCC(C(=O)O)N1', 'O=[N+]([O-])c1nccc(F)c1O', 'CC(O)CC1(c2ccccc2)C=CCC=C1.CS(=O)(=O)Cl', 'CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=O.[Mg+]c1ccc(Cl)cc1'] | 1 | Its SMILES notation is Nc1nccc(F)c1O. | ChemQA/retro_39693 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)CCC(=O)Cl.CN(C)CCO', 'NC(=O)c1cc(Cl)ccn1.OCc1cccc(O)c1', 'Brc1cncc(Br)n1.OB(O)c1ccccc1', 'C[C@@H]1O[C@@H](OCCN(CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC(=O)NCCCCCC(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O'] | 1 | Its SMILES notation is NC(=O)c1cc(Oc2cccc(CO)c2)ccn1. | ChemQA/retro_39694 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)c1.CCI', 'CCOC(=O)CCc1ccc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1OCC', 'CCOC(=O)c1c(Cc2ccc(F)cc2F)nc2c(c1-c1ccc(C(=O)O)cc1)C(=O)N1CCC[C@@H]21.NN1CCc2ccccc21', 'CC(=O)Cl.COc1ccc(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](N)CC4)c(C)[nH]c23)c(OCC2CC2)c1'] | 1 | Its SMILES notation is CCOc1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)ccc1CCC(=O)O. | ChemQA/retro_39695 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)[C@H](Br)C(=O)O.Nc1ccc(C(F)(F)F)cc1', 'Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(Cl)cc1)C2.[C-]#N', 'CCN.O=C1CCN(C(=O)OCc2ccccc2)CC1', 'O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]'] | 3 | Its SMILES notation is Nc1ccc(N2CCCCC2)cc1C(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1. | ChemQA/retro_39696 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1CCC(N2CCNCC2)CC1.CCCCOc1nc(N)c2nc(OC)n(CCCN3CCN(CC)CC3)c2n1', 'Cc1c(F)ccc2cnc(Cl)nc12.Cc1n[nH]c2cc(N)ccc12', 'CCC1=C(C(=O)OCCC#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C(CC)N1', 'CC(C)(C)C(=O)Cl.Nc1nc(-c2ccccc2)c(CCO)c2ncnn12'] | 1 | Its SMILES notation is Cc1n[nH]c2cc(Nc3ncc4ccc(F)c(C)c4n3)ccc12. | ChemQA/retro_39697 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NC1CCCOC1.O=C(Nc1nc2cccc(Cl)n2n1)c1ccccc1', 'CN1C2CCC1([C@H](N)c1ccccc1)CC2.CSc1ncccc1C(=O)O', 'C=CCC1(C(=O)OC)C(=O)Nc2ccc(C(F)(F)F)cc2CC1c1ccccc1OC', 'Brc1ccccn1.CC(c1ccccc1)N1CC(O)C1'] | 3 | Its SMILES notation is CC(c1ccccc1)N1CC(Oc2ccccn2)C1. | ChemQA/retro_39698 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNC(=O)C(C)N1CCNCC1.COc1cc(C=CC(=O)Cl)cc(OC)c1OC', 'CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1CN)Cc1ccccc1F.COc1ccc(S(=O)(=O)Cl)cc1OC', 'C=O.CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1.CCNCC', 'CC1=Cc2cc(Br)ccc2OC1(C)C.COc1ccccc1S'] | 0 | Its SMILES notation is CCNC(=O)C(C)N1CCN(C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC1. | ChemQA/retro_39699 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCC(N)CC1.O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(-c2cccc(F)c2)nc1', 'CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCNC3)CC2)nc2ccccc21.COc1ccc(-n2nnnc2C(F)(F)F)cc1C(=O)O', 'COc1ccc(C(C)(C)C)cc1S(=O)(=O)N=CN(C)C', 'Nc1ccc(Cl)nc1.O=C(O)c1nc(-c2ccccc2)oc1C(F)(F)F'] | 3 | Its SMILES notation is O=C(Nc1ccc(Cl)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F. | ChemQA/retro_39700 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)OB(c2ccc(-c3cnc(N)nc3)c(F)c2)OC1(C)C.O=c1[nH]c(CS(=O)(=O)c2ccccc2Br)nc2ccccc12', 'COc1cc(I)cc(C(=O)NCc2ccccc2)c1', 'CC(=O)N1CCN(c2ccc(O)cc2)CC1.OCCCBr', 'CC(NC1CCCCC1)c1cccnc1.CCCCSCC(=O)O'] | 1 | Its SMILES notation is O=C(NCc1ccccc1)c1cc(O)cc(I)c1. | ChemQA/retro_39701 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N.O=Cc1ccc(Oc2ccc(F)c(F)c2)c(F)c1', 'CNC(C)(C)C.CS(=O)(=O)OCCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1', 'Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(I)cc2)cn1.Cc1cnc2[nH]ccc2c1', 'CC1CCCCC1N.O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c2[nH]c(C(F)(F)F)nc12'] | 1 | Its SMILES notation is CN(CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1)C(C)(C)C. | ChemQA/retro_39702 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC[C@@H]1C[C@H](Nc2ncc(O)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2nc(OC)ccc2N1C(=O)OCC(C)(C)C(=O)OC.COCCO', 'CCOC(=O)c1cnc(Cl)c2ccn(CC)c12.Nc1cccc(Cl)c1', 'FC(F)(F)c1cn2c(n1)CNCC2.O=C(Cl)c1ccc(F)cc1Cl', 'Cc1ccc(-c2ccccc2C(=O)O)cc1.N#CCCN'] | 2 | Its SMILES notation is O=C(c1ccc(F)cc1Cl)N1CCn2cc(C(F)(F)F)nc2C1. | ChemQA/retro_39703 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)N1CCN(CC2CCNCC2)CC1.O=C(O)CC(c1ccccc1)c1ccccc1', 'O=c1c2sccc2nc(C=Cc2ccccn2)n1-c1ccccc1Cl', 'CC(C)(C)OC(=O)NC12CC3CC(C1)C(C#N)C(C3)C2', 'CN(CCO[Si](C)(C)C(C)(C)C)C(=O)c1ccc(F)c(Cl)c1F'] | 2 | Its SMILES notation is N#CC1C2CC3CC1CC(N)(C3)C2. | ChemQA/retro_39704 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(C=O)c2)C1.C[Mg+]', 'CC(C)(C)OC(=O)NCCN(C(=O)CCl)c1cccc(OC(F)(F)F)c1', 'CC(C)S(=O)(=O)Cc1cc(N2CCOC[C@@H]2C)nc(-c2ccc(N)cc2)n1.O=C(Cl)Oc1ccccc1', 'CC(C)(C)OC(=O)c1cccc(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)c1.Fc1ccc(C(CCCCl)c2ccc(F)cc2)cc1'] | 1 | Its SMILES notation is CC(C)(C)OC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1. | ChemQA/retro_39705 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CSc1ncc(-c2cccc3c(N)nn(C)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)OC(C)(C)C)n1', 'COC(=O)CC(C)n1cnc2ccc(N)cc21', 'COC(=O)C(C)Br.Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c2c(Cl)ccc(O)c12', 'CCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1.Nc1ccc(C(O)C(F)(F)F)cc1'] | 3 | Its SMILES notation is CCOc1ccc(Br)cc1-c1cc(Nc2ccc(C(O)C(F)(F)F)cc2)nc(N)n1. | ChemQA/retro_39706 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)Cl.NCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21', 'Brc1ccc(I)cc1.CC1(C)OB(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)cc2)OC1(C)C', 'CC(C)N.CCOC(=O)c1c[nH]nc1-c1nc2ccccc2[nH]1', 'NC(=O)C(=C1Nc2ccc(C(=O)O)cc2S1)c1nccc(C(F)(F)F)n1.NCCCN1CCOCC1'] | 2 | Its SMILES notation is CC(C)NC(=O)c1c[nH]nc1-c1nc2ccccc2[nH]1. | ChemQA/retro_39707 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(C(=O)O)c4OC)c4ccccc34)ccn2)cc(OC)c1.NC1COC1', 'Brc1nc2ccc(Cn3cnc4ccccc43)cc2s1.N[C@@H]1CCCC[C@H]1O', 'Brc1cncc(Br)c1.COc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1CC(=O)N2C', 'COc1cccc(/C=C/c2nc3sccn3c2C(=O)O)c1OCC(C)(C)C.Nc1nc(C(F)(F)F)cs1'] | 0 | Its SMILES notation is COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(C(=O)NC5COC5)c4OC)c4ccccc34)ccn2)cc(OC)c1. | ChemQA/retro_39708 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)CN.O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl)c1c(F)cccc1F', 'Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1N.Cc1csc2ncnc(Cl)c12', 'ClCCN1CCOCC1.NC(=O)c1ccc(Oc2ccc3c(c2)CCCNC3)nc1', 'CC(=O)SCCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)O.O=C(O)[C@@H]1CCCN1'] | 0 | Its SMILES notation is CC(C)CNc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)n1. | ChemQA/retro_39709 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C(C)=Cc1ccc(OCCCCl)cc1.Nc1ccc(Cl)cc1', 'O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CNC1.O=C1CCC(O)(c2cccc(O)c2)CC1', 'CCCCOC(=O)c1sc2ccc(OCOC)cc2c1OC(=O)C(C)(C)C', 'CCOC(=O)c1ccn2ccc(C#N)c2c1'] | 2 | Its SMILES notation is CCCCOC(=O)c1sc2ccc(O)cc2c1OC(=O)C(C)(C)C. | ChemQA/retro_39710 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C1C[C@@H]2[C@@H](CCC(F)(F)COc3ccccc3)[C@H](OC3CCCCO3)C[C@@H]2O1', 'CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccn4nnc(C)c4c3)sc2c1-c1ccc(Cl)cc1', 'CCOC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CCCC1', 'ClCCCCn1cnc2ccccc21.O=c1[nH]c2ccccc2n1C1CCNCC1'] | 1 | Its SMILES notation is Cc1cc2nc(-c3ccn4nnc(C)c4c3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O. | ChemQA/retro_39711 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1ccccc1.C[C@H]1CNCCN1', 'CC(=O)OCc1cc2c(cc1[N+](=O)[O-])c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1', 'CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nc4c(c(C5CCCCC5)nn4C)c(=O)[nH]3)c(OC)c2)CC1', 'CCOC(=O)CN1CCN(S(=O)(=O)Nc2cc(OC)nc(S(=O)(=O)Cc3cccc(F)c3F)n2)CC1'] | 1 | Its SMILES notation is CC(=O)OCc1cc2c(cc1N)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1. | ChemQA/retro_39712 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)COc1ccc(N2N=C3c4ccccc4SCC3CC2=O)cc1.CNC', 'Brc1ccccc1.c1ccc2c(c1)[nH]c1ccccc12', 'CC(=O)Cl.CSc1ncnc2cc(N)ncc12', 'C#Cc1ccc(-c2ccc(Cl)cc2)cn1.Ic1cnc2c(c1)ncn2CCN1CCCC1'] | 3 | Its SMILES notation is Clc1ccc(-c2ccc(C#Cc3cnc4c(c3)ncn4CCN3CCCC3)nc2)cc1. | ChemQA/retro_39713 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCN(CC)CCOc1cc(C#N)nc(-c2ccccn2)c1', 'C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C#C[Si](C)(C)C)c2c(N)ncnc21', 'Cc1nc(Cl)nc2ccccc12.O=C(N[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1)OCc1ccccc1', 'C=C(OCC)[Sn](CCCC)(CCCC)CCCC.O=[N+]([O-])c1cccnc1Cl'] | 3 | Its SMILES notation is C=C(OCC)c1ncccc1[N+](=O)[O-]. | ChemQA/retro_39714 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)OC(=O)NC1CCNC1.Fc1ccccn1', 'C1CNCCN1.N#Cc1cc(F)ccc1F', 'CCOC(=O)CC(O)CC(O)/C=C/c1c(-c2ccccc2)c2ccccc2c(=O)n1C', 'NCc1ccc(Oc2ccccc2)s1.Nc1nc2c(cc1C(=O)O)CCC2'] | 1 | Its SMILES notation is N#Cc1cc(F)ccc1N1CCNCC1. | ChemQA/retro_39715 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COCC(=O)NCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1', 'CCc1cccc(C)c1CNc1nc(C(=O)O)cc2c1nc(C)n2C.CNC', 'O=C1Nc2ccc(C#Cc3ccc(O)cc3)cc2/C1=C/c1ccc[nH]1.O=[N+]([O-])c1cccc(I)c1', 'C/C(=C\\CO)c1ccc(-c2ccco2)cc1.CCOC(=O)[C@H](Cc1ccc(O)cc1)OCC'] | 0 | Its SMILES notation is COCCNCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1. | ChemQA/retro_39716 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCI)C2.O=C1NC(=O)c2ccccc21', 'CCS(N)(=O)=O.Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)O)cnn12', 'O=C(N1CCCc2ccccc21)N1C2C=C(c3cccnc3)CC1CC2', 'CC(C)C(C(=O)O)C1=Cc2ccccc2C1.CS(=O)(=O)OC(C#N)c1cccc(Oc2ccccc2)c1'] | 2 | Its SMILES notation is O=C(N1CCCc2ccccc21)N1C2CCC1CC(c1cccnc1)C2. | ChemQA/retro_39717 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccc(COCCBr)cc1.O=C(O[C@H]1CN2CCC1CC2)C1(c2ccccc2)CCCCCC1', 'CC(N)=O.O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(Cl)c2)c2cccnc21', 'N#Cc1ccc(N(Cc2cc(Cl)ccc2Cl)[C@H]2CCNC2)cc1Cl.O=S(=O)(Cl)Cc1ccccc1', 'Cc1ccccc1C(=O)Cl.Nc1nc(C(Cl)(Cl)Cl)ns1'] | 2 | Its SMILES notation is N#Cc1ccc(N(Cc2cc(Cl)ccc2Cl)[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1Cl. | ChemQA/retro_39718 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)CNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1', 'CC1(C)OC(=O)c2cc(NCc3ccc(C#Cc4ccc(Cl)cc4)cc3)ccc2O1.O=C(Cl)c1ccno1', 'CCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(F)c(Cl)c2)n1', 'CC(F)(F)CCCCn1ccc(N)n1.O=C(O)/C=C/c1ccccc1Cl'] | 0 | Its SMILES notation is O=C(O)CNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1. | ChemQA/retro_39719 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)C(=O)Nc1ccc(O)cc1.Clc1ccc(Cl)nn1', 'COC12CCC(CC1)CC2=O', 'NNc1ccc([N+](=O)[O-])cc1.O=C(CC(=O)C(F)(F)F)c1ccco1', 'CCOC(=O)c1cccnc1C#C[Si](C)(C)C'] | 3 | Its SMILES notation is C#Cc1ncccc1C(=O)OCC. | ChemQA/retro_39720 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrCc1ccccc1.C#CCNC[C@H](C=C)NC(=O)OC(C)(C)C', 'CCCCCCBr.CCCCCCOc1c(F)ccc(F)c1O', 'O=C(O)C1=C(c2ccccc2)CCCC1', 'COc1ccc([C@H]2SC=C(c3ccccc3)N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1'] | 0 | Its SMILES notation is C#CCN(Cc1ccccc1)C[C@H](C=C)NC(=O)OC(C)(C)C. | ChemQA/retro_39721 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)c1ccccc1O.O=Cc1ccc(F)cc1', 'NC(=O)CNc1ncccc1N.O=C(O)c1ccccn1', 'CC(=O)c1ccc[nH]1.O=C(Cl)c1ccc([N+](=O)[O-])cc1', 'O=C1Cc2cc([N+](=O)[O-])ccc2N1CCF'] | 0 | Its SMILES notation is CC(C)c1ccccc1Oc1ccc(C=O)cc1. | ChemQA/retro_39722 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(N)nc3cc21.CO', 'CC=O.O=[N+]([O-])c1ccc2c(c1)OCCN2', 'C[C@H](NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1.Oc1ccc(-c2ccccn2)cc1', 'Cc1ccc(F)c([N+](=O)[O-])c1.Oc1ccc(O)cc1'] | 2 | Its SMILES notation is C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(-c2ccccn2)cc1)c1ccc(C(=O)OC(C)(C)C)cc1. | ChemQA/retro_39723 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1cccc(OCC(=O)O)c1.N#Cc1ccc(N)cc1', 'O=C(O)c1ccncc1I', 'CC1(C)Cc2cccc(S(=O)(=O)N=C=O)c2O1.Cc1cc(C2CC2)nc(N)n1', 'COCCCCCl.O=CC1CC2C=CC1C2'] | 2 | Its SMILES notation is Cc1cc(C2CC2)nc(NC(=O)NS(=O)(=O)c2cccc3c2OC(C)(C)C3)n1. | ChemQA/retro_39724 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C[C@@H]1CN(C2CN(C(c3ccccc3)c3ccccc3)C2)CCN1C', 'C#CCBr.Cn1nc(-c2cc3c(cc2F)NC(=O)CO3)c(Cl)c1C(F)(F)F', 'O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1', 'CNC.Cn1c2ccccc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21'] | 2 | Its SMILES notation is Nc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1. | ChemQA/retro_39725 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC(C)Oc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1', 'CC1(C)CN(Cc2ccccc2)CCC1N', 'COCOc1ccc(C(C)(O[Si](C)(C)C)C(F)(F)F)nc1', 'CCOc1cc(F)c(Cn2nc(-c3ncc(OCCSC)c(Nc4ccncc4)n3)c3ccccc32)c(F)c1.O=S([O-])([O-])=S'] | 0 | Its SMILES notation is CCC(C)Oc1ccc(OCCN)cc1. | ChemQA/retro_39726 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ccc(Cl)cn1.O=C(O)c1cc(Cl)[nH]n1', 'COCCCCCCCl.O=C1CCNCC1', 'CC(=O)OCc1ccc(C(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2C)C2CCCC2)cc1', 'CC(=O)c1ccncn1.NNc1nc2ccccc2[nH]1'] | 0 | Its SMILES notation is O=C(Nc1ccc(Cl)cn1)c1cc(Cl)[nH]n1. | ChemQA/retro_39727 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1CCNCC1.CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](Nc2ncc(OCCBr)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C[C@H]1CC', 'CCOC(=O)C(=O)c1csc(N)n1.CN=C=S', 'BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc2cc(F)ccc2n1', 'COc1ccc(Br)c(C)c1.O=C1CCC(=O)N1Br'] | 3 | Its SMILES notation is COc1ccc(Br)c(CBr)c1. | ChemQA/retro_39728 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1c(OS(=O)(=O)C(F)(F)F)nc(N)nc1-c1ccco1.O=C([O-])[O-]', 'Nc1ccon1.O=C(Br)CBr', 'CC(C)(C)OC(=O)NCCCCN1CCNCC1.CCOC(=O)CCCCBr', 'CSC[C@H](NC(=O)OC(C)(C)C)c1ccccc1'] | 3 | Its SMILES notation is CSC[C@H](N)c1ccccc1. | ChemQA/retro_39729 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C(=O)c1cc2c(s1)-c1ccc(CBr)cc1OCC2)c1ccccc1Cl.CN(C)CCN', 'Clc1ccc2c(Cl)ccnc2c1.N[C@H]1CC[C@@H](N)CC1', 'Nc1ccccc1.O=C1CCc2ccccc21', 'N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2.O=Cc1c[nH]cn1'] | 0 | Its SMILES notation is CN(C)CCNCc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2. | ChemQA/retro_39730 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCSc2c(C(=O)O)cc(Cl)cc21.NC1CN2CCC1CC2', 'O=C(Cl)c1ccncc1.O=C1C(=O)c2ccccc2C2=C1SCC1(CCNCC1)O2', 'NS(=O)(=O)c1cccc(Cl)c1.O=C(O)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1', 'O=C1c2ccccc2C(=O)N1CCCCBr.Oc1ccncc1'] | 1 | Its SMILES notation is O=C1C(=O)c2ccccc2C2=C1SCC1(CCN(C(=O)c3ccncc3)CC1)O2. | ChemQA/retro_39731 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(C)(C)C1CCN(Cc2nc3c(N4CCOCC4)nc(Cl)nc3n2C)CC1.Nc1ccccc1N', 'COc1cc(-c2cnn3ccc(Cl)nc23)cc(OC)c1OC.Nc1ccc(F)cc1', 'N#CN.Nc1c(Cl)cccc1Cl', 'CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)O.N[C@@H]1CCCc2ccccc21'] | 1 | Its SMILES notation is COc1cc(-c2cnn3ccc(Nc4ccc(F)cc4)nc23)cc(OC)c1OC. | ChemQA/retro_39732 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(S(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(OCCCO)cc1CS(=O)(=O)c1cccc2ccccc12', 'CCCCc1nc2cc(NC=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1', 'CCOC(=O)c1nc(-c2ccc(OC)cc2)c2snc(-c3ccc(Cl)cc3)c2c1O.NCC(=O)O', 'CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccccc2)C1'] | 1 | Its SMILES notation is CCCCc1nc2cc(NC=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1. | ChemQA/retro_39733 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOc1cc(C)c(NC(=O)OC(C)(C)C)cc1C', 'CCOC(=O)CCNC(=O)c1ccc(NC(CC(C)C)c2oc3ccc(OC)cc3c2C)cc1', 'COCCl.OC(CCc1ccccc1)CCc1ccccc1', 'O=C(Nc1ccc(F)cc1)c1ccc(Cl)nc1.O=C(O)CCS'] | 0 | Its SMILES notation is CCOc1cc(C)c(N)cc1C. | ChemQA/retro_39734 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)O[C@H]1CCO[C@@H](c2ccccc2)C1.[N-]=[N+]=[N-]', 'CN=C=O.Nc1cc(CCl)ccn1', 'OCc1sc2ncccc2c1Br', 'Cc1ccc(NC(=O)[C@@H](O)COC(C)C)nc1.Cc1cnccc1-n1ncc2c(Cl)ncnc21'] | 1 | Its SMILES notation is CNC(=O)Nc1cc(CCl)ccn1. | ChemQA/retro_39735 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(C(=O)Cl)cc1OC.N#CC1(c2cccc(N)c2)CCCC1', 'COC(CCn1ncc2ccc(NC(=O)Cc3ccc(Oc4ccccc4)cc3)cc21)OC', 'CC(C)(C)n1nc(O)c2c(N)ncnc21.Clc1nccc2ccccc12', 'CCOC(=O)c1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1'] | 3 | Its SMILES notation is CCOC(=O)c1cccc(Nc2ccc(C#N)cc2N)c1. | ChemQA/retro_39736 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)O.COc1cc(C(=O)N2CCC3(CC2)CC(O)c2ccccc2O3)ccc1OC(C)C', 'CCOC(=O)Cl.COc1ccnc(CSc2nc3cscc3[nH]2)c1', 'Clc1cncc(Cl)n1.Oc1cccnc1', 'CC1(C)OB(C2=CCCC2)OC1(C)C.Clc1cc(I)ccn1'] | 1 | Its SMILES notation is CCOC(=O)n1c(SCc2cc(OC)ccn2)nc2cscc21. | ChemQA/retro_39737 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCCCCBr.CCCCCCCCC1CCc2c(cc(F)c(F)c2-c2ccc(O)cc2)C1', 'Cc1ccc(CCN=C=S)cc1.Cn1c(=O)cc(C(F)(F)F)c2cc(N)ccc21', 'CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1.COC(=O)/C=C\\C(=O)[O-]', 'Oc1ccc2cccnc2c1'] | 0 | Its SMILES notation is CCCCCCCCOc1ccc(-c2c(F)c(F)cc3c2CCC(CCCCCCCC)C3)cc1. | ChemQA/retro_39738 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=O.CCC1(C)CC(OCc2ccccc2)C(C)C(C)(CC)N1', 'O=C1CSC(=O)N1.O=Cc1ccc(O)c2c1CCC(=O)N2Cc1ccccc1', 'C=C[Mg+].O=Cc1cc(Cl)cc(Cl)c1', 'CCCCOC(=O)Cl.CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1'] | 2 | Its SMILES notation is C=CC(O)c1cc(Cl)cc(Cl)c1. | ChemQA/retro_39739 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNC(=O)[C@@](C)(C(=O)NOC1CCCCO1)N(C)C(=O)c1ccc(C#Cc2ccc(C=O)cc2)cc1.COC1CNC1', 'CCCn1c(-c2ccncc2)c(C)c2cc(OC(C)(C)C(=O)OCC)ccc21', 'C=C(C)c1cccc(C=O)c1.NNc1cc(N2CCOCC2)c2nc(-c3ccncc3)cn2n1', 'CN(c1ccnc(-c2ccccc2)n1)c1nc(Cl)ncc1F.NCCc1cccnc1'] | 0 | Its SMILES notation is CNC(=O)[C@@](C)(C(=O)NOC1CCCCO1)N(C)C(=O)c1ccc(C#Cc2ccc(CN3CC(OC)C3)cc2)cc1. | ChemQA/retro_39740 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1cnc(Br)cn1.Oc1ccnc(Cl)c1', 'COC(=O)/C=C/c1ccc2c(c1)CCC2N(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(NC(C)=O)cc1', 'COC(=O)Cc1c(C)nn(-c2cnccc2C)c1-c1ccccc1', 'N#Cc1cccnc1N1CCNCC1.O=C(O)c1cccc(-c2noc(C(F)(F)F)n2)c1'] | 1 | Its SMILES notation is COC(=O)/C=C/c1ccc2c(c1)CCC2N(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(N)cc1. | ChemQA/retro_39741 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CON(C)C(=O)CCc1cccc(Br)c1', 'CC(C)C(O)(c1ccc(B(O)O)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.CC(C)NC(=O)c1cccc(Br)n1', 'CC(C)(C)OC(=O)CC(=O)C[C@H](O)COC(=O)c1ccccc1', 'CC(C)(C)OC(=O)NCC(=O)O.COC(=O)CC1NCCc2c1ccc(F)c2Br'] | 3 | Its SMILES notation is COC(=O)CC1c2ccc(F)c(Br)c2CCN1C(=O)CNC(=O)OC(C)(C)C. | ChemQA/retro_39742 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CC(OCC)OCC.O=C(OCc1ccccc1)N1CCNCC1', 'CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)O.O=[N+]([O-])c1cccc2sc(N3CCNCC3)nc12', 'CC(C)CC=C1CCC2(CC1)SCC(=O)N2CCC(=O)O.O=Cc1ccccc1', 'FC(F)(F)c1nnc2ccc(Cl)nn12.Oc1ccc(C2CCNCC2)cc1'] | 1 | Its SMILES notation is CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nc3c([N+](=O)[O-])cccc3s2)CC1. | ChemQA/retro_39743 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)CC(OCCBr)CC(C)(C)N1.Oc1ccc(-c2nc3ccccc3o2)cc1', 'CCc1ccc(I)cn1.CON(C)C(=O)c1cn(Cc2cccc(Cl)c2)c2ccccc2c1=O', 'Clc1ccnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12.NC(=O)c1ccc(B(O)O)cc1', 'O=C(O)C1CN(S(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1Cl.c1ccc2oc(N3CCNCC3)nc2c1'] | 0 | Its SMILES notation is CC1(C)CC(OCCOc2ccc(-c3nc4ccccc4o3)cc2)CC(C)(C)N1. | ChemQA/retro_39744 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc(N(C)C)ccc1-c1nc2c(s1)C(O)CCC2', 'CN1CCC(N)CC1.Cc1nc(Br)sc1C(=O)O', 'N[C@@H]1C[C@H]1c1ccc(OCc2cccc(Br)c2)cc1.O=CCC1CCCCC1', 'CC(C)(C)c1ccc(B(O)O)cc1.Cc1cnc(Cl)nc1'] | 0 | Its SMILES notation is CN(C)c1ccc(-c2nc3c(s2)C(O)CCC3)c(O)c1. | ChemQA/retro_39745 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(C(C)(C)C(=O)NN)cc1OC.Fc1ccc(N=C=S)cc1', 'C=C(CC(=O)O)C(=O)O.NC1CCCCC1', 'CON(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1.Fc1cc(OCc2ccccc2)c(F)cc1Br', 'CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)O)CC1.O=C1CCNCCN1'] | 0 | Its SMILES notation is COc1ccc(C(C)(C)C(=O)NNC(=S)Nc2ccc(F)cc2)cc1OC. | ChemQA/retro_39746 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc2nccc(Cl)c2cc1OC.Cc1ccc(O)cc1C', 'CN1CCCc2ccc(N)cc21.O=C(O)c1ccc(-c2ccccc2)cc1', 'CC(CC=O)(C(=O)C1CCCCC1)c1ccccc1.COc1ccccc1N1CCNCC1', 'O=Cc1c[nH]c(-c2ccccc2)c1.O=S(=O)(Cl)c1cccnc1Cl'] | 2 | Its SMILES notation is COc1ccccc1N1CCN(CCC(C)(C(=O)C2CCCCC2)c2ccccc2)CC1. | ChemQA/retro_39747 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(C=CC(=O)O)c3)CC2)cc1OC', 'COC(=O)c1cc2ccc(C#N)cc2s1', 'Cc1nc(N2CCN(Cc3ccc(C(F)F)o3)C2=O)sc1C(=O)O.NCc1cccnc1', 'COC(=O)c1cccc2[nH]nc(C=O)c12.NCC12CCN(CC1)CC2'] | 1 | Its SMILES notation is N#Cc1ccc2cc(C(=O)O)sc2c1. | ChemQA/retro_39748 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)c1cccc(C2CC(C)(C)c3cc(Cl)cc(C(=O)O)c3N2)c1.NS(=O)(=O)C1CC1', 'COc1cccc2c1[C@]13CCN[C@H](C2)[C@@H]1CCC(=O)C3.O=C(O)C1CCC1', 'Cc1c(Cl)cc(C(C)C)c2c1CC(CN=[N+]=[N-])O2', 'CC(=O)NC(C)(C)c1ccc(CCl)cc1.c1cnc(N2CCNCC2)nc1'] | 2 | Its SMILES notation is Cc1c(Cl)cc(C(C)C)c2c1CC(CN)O2. | ChemQA/retro_39749 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1', 'Nc1cccc2c1CNC2.O=C(O)c1cn(-c2ccc(F)cc2)c2c(F)c(F)c(F)cc2c1=O', 'C=C(C)CN.COc1ccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)cc1C=O', 'CNC.COc1ccc(N(C)c2nc(Cl)nc3ccc([N+](=O)[O-])cc23)cc1'] | 3 | Its SMILES notation is COc1ccc(N(C)c2nc(N(C)C)nc3ccc([N+](=O)[O-])cc23)cc1. | ChemQA/retro_39750 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc(C(=O)Cl)cc(OC)c1OC.Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1', 'CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C.CN=C=S', 'CC(C)OP(OC(C)C)OC(C)C.O=[N+]([O-])c1ccc(CBr)cc1', 'COc1cc(O)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1.OC1CCSC1'] | 0 | Its SMILES notation is COc1cc(C(=O)Nc2cc(C(=O)c3ccccc3)ccc2N2CCOCC2)cc(OC)c1OC. | ChemQA/retro_39751 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1c(C)cccc1Br.O=C1CCC(=O)N1Br', 'CCCC(=O)c1cnc2c(O)cccc2c1Nc1ccc(F)cc1C.COCCCl', 'COC(=O)C[C@@H](N)CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2.O=C(O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O', 'NC1Cc2ccc(C3=NNC(=O)CC3)cc2C1.O=C=Nc1ccccc1'] | 0 | Its SMILES notation is COC(=O)c1c(Br)cccc1CBr. | ChemQA/retro_39752 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(F)cc1Oc1c(Cl)ncnc1Cl.NS(=O)(=O)c1ccc(C(F)(F)F)cc1', 'CCOC(=O)CCNC(=O)c1cn2nc(Cl)ccc2n1.NCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1', 'COC(C=O)OC.COc1cc2c(cc1OC)[C@@H](CN(C)CCCN)C2', 'COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C'] | 2 | Its SMILES notation is COc1cc2c(cc1OC)[C@@H](CN(C)CCCNCC(OC)OC)C2. | ChemQA/retro_39753 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)C=O.COC(OC)c1ccc(Br)nc1', 'Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCNCC2)n1.O=C(O)CC(F)(F)F', 'Cc1nc(-c2ccc(C(=O)O)cc2)no1.N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1', 'CCCI.CCc1c[nH]c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1'] | 3 | Its SMILES notation is CCCn1cc(CC)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1. | ChemQA/retro_39754 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc2nccc(N3C[C@@H]4C[C@H]3CN4CCNC(=O)OCc3ccccc3)c2n1', 'CC1(C)OC(=O)Nc2ccc(B(O)O)cc21.N#Cc1cccc(Br)c1', 'O=C(O)C1CCc2ccccc21', 'O=C(O)C1CCC(c2ccccc2)CC1'] | 0 | Its SMILES notation is COc1ccc2nccc(N3C[C@@H]4C[C@H]3CN4CCN)c2n1. | ChemQA/retro_39755 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CC(=O)c1ccccc1.COc1cccc(N)c1', 'CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.Cc1noc(-c2ccc(Br)cc2)c1NC1CCN(Cc2ccccc2)CC1', 'BrCc1cccc(I)c1.COC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1C', 'COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2'] | 1 | Its SMILES notation is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC4CCN(Cc5ccccc5)CC4)cc3)cc2)CC1. | ChemQA/retro_39756 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCN(CC)C(=O)N(C1CCCCC1)C1CC2CCC(C1)N2C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C', 'COC(=O)c1ncc(Br)cc1F.NS(=O)(=O)c1ccncc1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCC1CN(C(c2ccccc2)c2ccccc2)C1', 'CN.NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3nc(Cl)ccc3Cl)cc1-2'] | 1 | Its SMILES notation is COC(=O)c1ncc(NS(=O)(=O)c2ccncc2)cc1F. | ChemQA/retro_39757 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)c1ccc(N)cc1.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1', 'Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CBr)n(C)c2n1.N#CC1CCNCC1', 'COC(=O)NCCCn1nc(C(C)=O)cc1-c1ccccn1.NC1CC1', 'COc1cc(Br)cc(C=O)c1OC.OB(O)c1ccccc1'] | 1 | Its SMILES notation is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C#N)CC3)n(C)c2n1. | ChemQA/retro_39758 |