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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrCC1CC1.CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)NCC4(F)COC4)cc3c2)CC1', 'CC(C)[C@H](NC(=O)C1(NC(=O)c2ccco2)CCCCC1)C(=O)O', 'CCCCCCCCOc1ccc(-c2ccc(Br)cc2)c(F)c1F', 'C=CCC(CC1CC2CCN1CC2)(c1ccccc1)c1ccccc1'] | 1 | Its SMILES notation is CC(C)[C@@H](CO)NC(=O)C1(NC(=O)c2ccco2)CCCCC1. | ChemQA/retro_38993 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)Oc1ccc(CCCCn2ccnc2CCO)cc1.CS(=O)(=O)Cl', 'BrCCOc1cccc2c1c1ccccc1n2Cc1ccccc1.NCc1ccccn1', 'CN(C)S(=O)(=O)Cl.N#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(N)c3F)c2c1', 'C[C@H]1CC[C@@H](c2nc(I)c(I)[nH]2)N1C(=O)OC(C)(C)C'] | 0 | Its SMILES notation is CC(C)(C)Oc1ccc(CCCCn2ccnc2CCOS(C)(=O)=O)cc1. | ChemQA/retro_38994 |
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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)N1CCC(NCc2ccccc2C(F)(F)F)CC1.O=C1CCCC1', 'COC(C)(C)C(=O)Cl.Nc1cc(CCl)ccn1', 'CC(C)(C#N)c1ncccc1Br.Oc1cnc2c(F)cccc2c1', 'CN(C)C1=N[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)C[C@@H]2S1'] | 2 | Its SMILES notation is CC(C)(C#N)c1ncccc1Oc1cnc2c(F)cccc2c1. | ChemQA/retro_38995 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=C(C)C(=O)OCC.O=[N+]([O-])c1ccc(Br)cc1', 'COc1ccc(-n2nc(C)cc2C)c(CN)c1', 'CC(C)(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F.O=C(NC1CCOCC1)c1nc(CC2CCCCC2)c(Br)s1', 'C/C=C\\c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(CCOCc2ccccc2)CC1.COCCl'] | 0 | Its SMILES notation is CCOC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1. | ChemQA/retro_38996 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(Sc2ccccc2CCC(=O)O)cc1.NCCCCO', 'CC1(COS(C)(=O)=O)CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.[N-]=[N+]=[N-]', 'CCNCc1cc(C(F)(F)F)ccc1-c1cccc(CC(=O)OCC)n1.O=C(Cl)C1CC1', 'Cc1ccc(CCl)cc1.c1ccc(COC[C@H]2O[C@@H](c3ccc4cc[nH]c4c3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1'] | 0 | Its SMILES notation is Cc1ccc(Sc2ccccc2CCC(=O)NCCCCO)cc1. | ChemQA/retro_38997 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc([N+](=O)[O-])cc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1', 'COc1ccc(CC(=O)O)nc1.N#Cc1ccc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)nc1', 'Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1', 'CNOC.O=C(Cl)c1cccc(C(F)(F)F)c1'] | 3 | Its SMILES notation is CON(C)C(=O)c1cccc(C(F)(F)F)c1. | ChemQA/retro_38998 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)[C@@H]2SCCN2C(=O)OC(C)(C)C)ccc1OC(F)F', 'CC(C)(C)C(=O)C(CCCC(C)(C)c1ccccc1)n1cncn1', 'CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)O.N#Cc1ccc(N)c2ccccc12', 'CN.Cc1ccc(N2c3ccccc3N(CCCBr)S2(=O)=O)cc1'] | 0 | Its SMILES notation is COc1cc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)[C@H]2NCCS2)ccc1OC(F)F. | ChemQA/retro_38999 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Clc1ccc2ncc(Cl)nc2c1.N', 'CNCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=Cc1cc(Cl)c(Cl)cc1O', 'CN1C(=O)C2(CC(C)(C)C(F)(F)c3ccc(Br)cc32)N=C1N.OB(O)c1cncnc1', 'CSc1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)cc1C.O=C([O-])O'] | 0 | Its SMILES notation is Nc1cnc2ccc(Cl)cc2n1. | ChemQA/retro_39000 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1CC(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CCN1C(=O)OC(C)(C)C', 'CC(=O)O[C@H](C)CCc1ccccc1', 'C[C@H](C(=O)OC(C)(C)C)N1OC[C@@H](O)[C@@H](O)C1=O', 'Nc1nc(=O)n([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1C#CCOCCOCCNC(=O)C(F)(F)F'] | 1 | Its SMILES notation is C[C@@H](O)CCc1ccccc1. | ChemQA/retro_39001 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCC(N)CC1.C[Si](C)(C)CCOCn1cc(C(=O)O)c(-c2nc3c(s2)CCCC3)n1', 'Brc1ccc2c(c1)[nH]c1ccccc12.Brc1ccccn1', 'CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CNOC', 'CC(=O)Nc1ccc(Sc2ccc(OCc3ccc(Br)cc3)cc2N)cc1.Cc1ccc2c(Cl)ccnc2n1'] | 0 | Its SMILES notation is CN1CCC(NC(=O)c2cn(COCC[Si](C)(C)C)nc2-c2nc3c(s2)CCCC3)CC1. | ChemQA/retro_39002 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCN(c2nc3cc(Cl)ccc3nc2Cl)CC1', 'C=CC(=O)N1C(=O)OC[C@H]1c1ccccc1.COc1ccc(Br)c(C2OCCO2)c1', 'CI.COC(=O)c1cc(Cl)[nH]c1Cl', 'CC(=O)Nc1ncc(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(NC(=O)OC(C)(C)C)C3SC2)s1'] | 3 | Its SMILES notation is CC(=O)Nc1ncc(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(N)C3SC2)s1. | ChemQA/retro_39003 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1COCCN1.CC(=O)Oc1ccc(CCl)cc1', 'CCOC(=O)NC1(CN2CCNCC2=O)CCN(c2ccnc(C)c2)CC1.O=S(=O)(Cl)c1ccc(Br)cc1', 'Cc1ccc(S(=O)(=O)Cl)cc1.Nc1nc(O)c2c(n1)-c1ccoc1CCC2', 'CC(C)(C)OC(=O)NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O'] | 3 | Its SMILES notation is NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O. | ChemQA/retro_39004 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(OC)N(C)C.COc1ccc(C(C)(C)C)cc1S(N)(=O)=O', 'CC(C)OC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1', 'CNCCCCCC(=O)O.COC(=O)Cl', 'CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(-c5ccc(C)c(C)c5)cc4-n4ccc(C)n4)C(F)(F)F)nc(N)n3)CC2)CN1C(=O)OCc1ccccc1'] | 1 | Its SMILES notation is CC(C)OC(=O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)C(F)(F)c1ccccc1. | ChemQA/retro_39005 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)CO.CC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)c(O)c3)ccc21', 'CCOC(=O)C1=Cc2ccc(C(F)(F)C(F)(F)F)cc2N=C(C(=O)OC(C)(C)C)C1', 'CCNCC1CCN(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1', 'COC(=O)C1CCC2C=Cc3ccccc3C(=O)N2C1'] | 1 | Its SMILES notation is CC(C)(C)OC(=O)C1=Nc2cc(C(F)(F)C(F)(F)F)ccc2C=C(C(=O)O)C1. | ChemQA/retro_39006 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)N1C[C@H](O)C[C@H]1C(=O)O.CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CNC[C@H]1c1ccccc1', 'CN1CCN(c2cc3[nH]c(=O)c(C(=O)O)cc3cn2)CC1.COC(=O)c1ccc(Cl)c(N)c1', 'CC(C)(C)c1cc(N)n(-c2cccc(O)c2)n1.CN(C)CCO', 'O=C(Cl)c1ccc(I)cc1.c1nc(N2CCNCC2)c(C2CC2)cc1C1CC1'] | 3 | Its SMILES notation is O=C(c1ccc(I)cc1)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1. | ChemQA/retro_39007 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=O.c1ccc2c(c1)C1CCNCC2C1', 'CCOC(=O)/C=C/c1cc(O)nn1Cc1ccc(Cl)cc1Cl.COCCO', 'Cc1ccc(S(=O)(=O)N2CCCC2CO)cc1', 'CC1(C)COB(c2ccc(NC(=O)c3nc(C#N)cn3COCC[Si](C)(C)C)c(C3=CCCCC3)c2)OC1.Nc1ccc(Br)cn1'] | 1 | Its SMILES notation is CCOC(=O)/C=C/c1cc(OCCOC)nn1Cc1ccc(Cl)cc1Cl. | ChemQA/retro_39008 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['FC(F)Cl.O=[N+]([O-])c1cc(O)c(Cl)cc1F', 'COC1c2ccccc2C(=O)N1CCBr.Fc1ccc2[nH]cc(CC3CCNCC3)c2c1', 'CCOc1cc(CCl)cc(OCC)c1-c1ccc(F)cc1.COC(=O)CN1CC2(CCNCC2)CC1=O', 'C1CCC(OCC2=NOC(CN3CCOCC3)C2)OC1'] | 1 | Its SMILES notation is COC1c2ccccc2C(=O)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1. | ChemQA/retro_39009 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1F', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)[C@@H](N)CCc1ccc(Cl)cc1', 'CC(C)(C)OC(=O)N1CCC(C(=O)Cl)CC1.Cc1cc(Br)c(NC(C)C)cc1C', 'CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(Br)ccnc32)cc1'] | 2 | Its SMILES notation is Cc1cc(Br)c(N(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1C. | ChemQA/retro_39010 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#Cc1cnn2c(C(F)(F)F)cc(-c3cccc(C(F)(F)F)c3)nc12.NS(=O)(=O)c1ccc(Br)cc1', 'CC(C)(C)C(=O)Cl.O=C(Nc1c(Cl)cccc1CO)c1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1', 'C#Cc1ccccc1.C[Si](C)(C)N=[N+]=[N-]', 'CNCC(O)C(O)C(O)C(O)CO.O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCCCCCI)cc2)N1c1ccc(F)cc1'] | 1 | Its SMILES notation is CC(C)(C)C(=O)OCc1cccc(Cl)c1NC(=O)c1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1. | ChemQA/retro_39011 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C(Cl)Cc1ccc(CCO)cc1.Oc1ccc(OCc2ccccc2)cc1', 'C=CCOCC1(c2ccc(C#N)cc2)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O.CI', 'CB(O)O.CCOC(=O)c1cc2c(Cl)c(F)cnc2nc1C(F)(F)F', 'C[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.Nc1cc(Br)cnc1N'] | 0 | Its SMILES notation is COC(=O)C(Cl)Cc1ccc(CCOc2ccc(OCc3ccccc3)cc2)cc1. | ChemQA/retro_39012 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)c(F)c1', 'CS(=O)(=O)Nc1c(F)cc(CN)cc1C(F)(F)F.O=C(O)C=Cc1ccc(C(F)(F)F)nc1N1CCOCC1', 'CN1CCC(N(C(=O)c2cc(Cl)ccc2F)c2ccccc2[N+](=O)[O-])CC1', 'CCOC(=O)/C(=C/C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)OC'] | 0 | Its SMILES notation is CS(=O)(=O)c1ccc(-n2ccc(O)cc2=O)c(F)c1. | ChemQA/retro_39013 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)SC(=O)CC(=O)CC(O)c1ccccc1', 'CN(Cc1cn(-c2ccccc2CN)nn1)C1CCCc2cccnc21.O=Cc1ccccn1', 'CCOC(=O)COc1ccc(C(CC)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1', 'O=C1Nc2cccc(Br)c2C12COc1cc3c(cc12)OCO3.OB(O)c1cccc2c1oc1ccccc12'] | 0 | Its SMILES notation is CC(C)(C)SC(=O)CC(O)CC(O)c1ccccc1. | ChemQA/retro_39014 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)OCc1cc(-c2cccc(Cl)c2)on1.CSC1=NCCCN1', 'COc1cc(OC)cc(C(O)c2ccc3c(c2)OCCO3)c1', 'CNc1nccc(-c2cc(NCCCN3C(=O)c4ccccc4C3=O)c3cc(OC)ccc3c2)n1', 'CC(C)(C)OC(=O)N1CCC(CCN=[N+]=[N-])CC1'] | 0 | Its SMILES notation is CSC1=NCCCN1Cc1cc(-c2cccc(Cl)c2)on1. | ChemQA/retro_39015 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cc(-c2cc(NC(C)=O)ncc2C)oc1Br', 'COc1ccc(C[C@@H](N)C(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)[C@H]4CCCC[C@H]4C3=O)CC2)cc1.Cc1[nH]c2c(-c3c(OCC4CC4)ccc4c3OCO4)ncnc2c1C(=O)O', 'C=CCC1C(=O)C=CC1(C)O.CC(=O)Cl', 'CCOC(=O)c1cc2cc(Br)sc2n1C'] | 3 | Its SMILES notation is Cn1c(CO)cc2cc(Br)sc21. | ChemQA/retro_39016 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(Cl)CCN(CCc1ccccc1)C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N(CCNC1CCCCCC1)CCc1ccc(O)c2[nH]c(=O)sc12', 'Nc1nccs1.O=S(=O)(Cl)c1ccc(I)cc1', 'C#CCN(Cc1ccccc1N=[N+]=[N-])C(=O)OC(C)(C)C', 'O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CCl)c1.OB(O)c1ccc(F)cc1'] | 3 | Its SMILES notation is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccc(F)cc2)c1. | ChemQA/retro_39017 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)CNc1ccc2nc(S)sc2c1.O=C=Nc1ccc(C(F)(F)F)cc1', 'C1COCCN1.Cn1ccc2ccc(I)cc21', 'CC(C)(C)OC(=O)NC1(C(F)(F)F)CC1', 'CS(=O)(=O)Cl.Cc1ccc(CCOCCO)cc1'] | 0 | Its SMILES notation is CC(C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2nc(S)sc2c1. | ChemQA/retro_39018 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(Cc1cc(Br)n(S(=O)(=O)c2cccc(Cl)c2)c1)C(=O)OC(C)(C)C.OB(O)c1ccsc1', 'COCOc1cnccc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12', 'COC(=O)c1ccccc1C(C)Oc1cccc(Cl)c1', 'CBr.O=C1CC(NCCc2ccccc2)c2ccccc21'] | 2 | Its SMILES notation is CC(Oc1cccc(Cl)c1)c1ccccc1CO. | ChemQA/retro_39019 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(OCc1ccccc1)N1CCCc2oc(-c3ccccn3)nc2C1', 'CCOC(=O)C(C)(C)Oc1ccc2c(ccn2Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1', 'CCCCOCCOc1ccc(-c2ccc(N3CCC(CC(=O)OCC)C3)c(/C=C(\\C)C(=O)Nc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1', 'O=[N+]([O-])c1cnc2ccc(N3CCCCC3c3cccc(F)c3)nn12'] | 3 | Its SMILES notation is Nc1cnc2ccc(N3CCCCC3c3cccc(F)c3)nn12. | ChemQA/retro_39020 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)Cl.Cc1nccn1-c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F', 'CC(C)(C)OC(=O)N1CCN(CC(c2cccc(C#N)c2)C2(O)CCCCC2)CC1', 'CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCCC2=O)c1=O.COCCN', 'CC(=O)Cc1c(C)ccc2ccccc12'] | 0 | Its SMILES notation is CCOC(=O)N(n1c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccnc3C)cc2c1=O)S(C)(=O)=O. | ChemQA/retro_39021 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(F)c(F)c1C(=O)c1cnc(N[C@H]2CC[C@H](N)CC2)nc1N.OCCBr', 'Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(N)cc3)cc21.O=C(Cl)c1ccncc1', 'CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)OC(C)(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(/C=C/C(=O)NC2(c3ncc(Cl)cn3)CC2)CC1=O', 'Cc1cc(Oc2ccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc2)ccc1N(CCCl)CCCl'] | 3 | Its SMILES notation is Cc1cc(Oc2ccc(C(=O)N[C@@H](C)C(=O)O)cc2)ccc1N(CCCl)CCCl. | ChemQA/retro_39022 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(CCCCCCCCN(C)C(=O)OC(C)(C)C)Cc1c(O)ccc2c1O/C(=C\\c1c[nH]c3ccccc13)C2=O', 'COC(=O)c1cc(Cl)nn1-c1cccnc1', 'O=C(CCCCBr)NC1CCCCCC1.OCCNCc1ccccc1', 'NC(c1ccccc1)c1cccc(C(F)(F)F)c1.O=C(O)CNC(=O)CCc1ccccc1'] | 2 | Its SMILES notation is O=C(CCCCN(CCO)Cc1ccccc1)NC1CCCCCC1. | ChemQA/retro_39023 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(O)C1CCNCC1.Cn1c(C=O)nc2c(N3C4CCC3COC4)nc(Cl)nc21', 'Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC3CCOCC3)c12.NCCN1CCCC1', 'CN(C(=O)OC(C)(C)C)C1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1c1ccc(Cl)cc1', 'C1CSCCN1.CC(C)(C)n1ncc(-c2nc(CC(=O)O)cs2)c1-c1ccc(F)cc1'] | 1 | Its SMILES notation is Cc1c(C(=O)NCCN2CCCC2)sc2ncnc(Nc3cccnc3OC3CCOCC3)c12. | ChemQA/retro_39024 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C1OC(CCc2ccc(OCc3ccccc3)cc2)(C2CCCC2)CC(O)=C1Cl.Oc1nc(S)nc2[nH]ccc12', 'CC(C)CC(Oc1ccccc1)c1ccc(C(=O)O)cc1.Cc1cc(C)c(CN)c(O)n1', 'BrCc1ccc2ccccc2c1.[C-]#N', 'COC(=O)c1cccc(CSc2nc3ccccc3n2CC(=O)OC(C)(C)C)c1'] | 3 | Its SMILES notation is COC(=O)c1cccc(CSc2nc3ccccc3n2CC(=O)O)c1. | ChemQA/retro_39025 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC[C@H](C)[C@H](C(=O)OCc1ccccc1)N1C[C@H](CO)[C@@H](c2cccc(F)c2)C1', 'CCCN(CCC)CCc1ccc2c(c1)NCCO2.O=S(=O)(Cl)c1cccc2ccccc12', 'CC(=CC(=O)O)c1ccc(O)cc1O.OCCc1ccccc1', 'CCCCCCC(C(=O)O)n1cnc([N+](=O)[O-])c1.O=C(OCc1ccccc1)[C@@H]1CCCN1'] | 1 | Its SMILES notation is CCCN(CCC)CCc1ccc2c(c1)N(S(=O)(=O)c1cccc3ccccc13)CCO2. | ChemQA/retro_39026 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)COc1ccccc1O.CC(C)N(CCCl)C(C)C', 'COCCCOc1cc(Br)ccc1C(C)=O', 'COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.CS(=O)(=O)Cl', 'NNc1ccccc1Cl.O=C(CC(=O)C(F)(F)F)c1ccco1'] | 1 | Its SMILES notation is CCc1ccc(Br)cc1OCCCOC. | ChemQA/retro_39027 |
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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)N1CCN(c2cccc(C(F)(F)F)c2Cl)CC1', 'C=C(C)B1OC(C)(C)C(C)(C)O1.COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(Cl)cc2n1', 'CC1(C)OB(/C=C/C2CCCCC2)OC1(C)C.O=c1[nH]cnc2[nH]c(-c3ccnc(Cl)c3)cc12', 'CC1(C2CCC(O)CC2)CCCCC1'] | 3 | Its SMILES notation is CC1(C2CCC(=O)CC2)CCCCC1. | ChemQA/retro_39028 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1nc(/C(=C/CO)c2ccc(C(C)(C)C)cc2)ccc1Cl.Oc1ccccc1', 'CCCCCCC(C(=O)O)n1cnc([N+](=O)[O-])c1.O=C(OCc1ccccc1)[C@@H]1CCCN1', 'NC(=O)c1cc2ccccc2[nH]1', 'CN1CCNCC1.O=C(O)c1cc(Cl)ccn1'] | 2 | Its SMILES notation is N#Cc1cc2ccccc2[nH]1. | ChemQA/retro_39029 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)Nc1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1O[C@H](C)c1c(Cl)ccc(F)c1Cl', 'CCOC(=O)OCn1c(SCc2nccc3ccsc23)nc2ccccc21.O=S([O-])[O-]', 'Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)c1.O=C(O)c1cc(F)cc2c1OCOC2', 'COC(=O)/C=C/c1cnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1'] | 1 | Its SMILES notation is CCOC(=O)OCn1c(S(=O)Cc2nccc3ccsc23)nc2ccccc21. | ChemQA/retro_39030 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)cc1)[C@H](C)CC', 'Nc1c(Cl)cccc1Cl.[N-]=[N+]=[N-]', 'BrCCCOc1cccc(-c2noc3ccsc23)c1.Cc1ccc(CN)cc1', 'CCOC(=O)c1cc(C#N)cc(C)n1.Cc1cccc(N)c1'] | 1 | Its SMILES notation is [N-]=[N+]=Nc1c(Cl)cccc1Cl. | ChemQA/retro_39031 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1NC1CCCN(Cc2ccccc2)C1', 'NNc1ccc(F)cc1.O=CCCCCCl', 'O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C(NCCO)OCC1c2ccccc2-c2ccccc21', 'CCc1ccccc1N.Clc1cc2c(cn1)ncn2C1CC1'] | 1 | Its SMILES notation is Fc1ccc2[nH]cc(CCCCl)c2c1. | ChemQA/retro_39032 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(O)C1CCC(c2ccccc2)CC1', 'CCOC(=O)c1ccc(Oc2c(F)c(Oc3cccc(N)c3)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)c(OC)c1.N#CN', 'N#Cc1ccc(N)cc1.O=Cc1ccsc1', 'COC(=O)C(C)(C)c1ccc(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1'] | 2 | Its SMILES notation is N#Cc1ccc(NCc2ccsc2)cc1. | ChemQA/retro_39033 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C[C@H]1CC[C@H](C(=O)O)CC1)C(=O)Oc1ccc(Cl)cc1.CNCCCO', 'Cc1nc(C(C)(C)NC(=O)c2cccc(Br)n2)no1.OB(O)c1ccc(F)c(Cl)c1', 'CCC/C=C\\c1ccccc1/C=C/C(=O)OCC', 'CC(Cl)OC(=O)Cl.CCC[C@@H](C)O'] | 1 | Its SMILES notation is Cc1nc(C(C)(C)NC(=O)c2cccc(-c3ccc(F)c(Cl)c3)n2)no1. | ChemQA/retro_39034 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrC(Br)(Br)Br.COC(c1ccc(C(F)(F)F)cc1CO)C1CCCC1', 'Cc1ccc2[nH]cc(CCN)c2c1.O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1', 'CC(C)(C)c1csc(CCc2cccc(C(=O)Nc3cc(CCCS(=O)(=O)c4ccc(Cl)cc4)ccc3OCC#N)c2)n1.[N-]=[N+]=[N-]', 'COC(=O)c1ccc(N(C)C(=O)OC)cc1S(=O)(=O)N=C=O.COc1cc(Cl)nc(N)n1'] | 2 | Its SMILES notation is CC(C)(C)c1csc(CCc2cccc(C(=O)Nc3cc(CCCS(=O)(=O)c4ccc(Cl)cc4)ccc3OCc3nnn[nH]3)c2)n1. | ChemQA/retro_39035 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1nc(N)sc1CCO[N+](=O)[O-].O=C(O)CCCCC1CCSS1', 'Cc1ccc(S(=O)(=O)N2CCC(C)C(O)C(N)C2)cc1.O=C(O)c1ccccn1', 'ClCC1CO1.O=c1cc(-c2ccccc2)oc2cc(O)ccc12', 'CC1=NCCOc2c(F)cc3c(ccn3S(=O)(=O)c3ccccc3)c21'] | 0 | Its SMILES notation is Cc1nc(NC(=O)CCCCC2CCSS2)sc1CCO[N+](=O)[O-]. | ChemQA/retro_39036 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCc1cc(C(=O)OC)ccc1S(=O)(=O)NCc1ccc2c(cnn2C)c1.Fc1ncc(Cl)cc1Cl', 'C[C@H](O)[C@@H](O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1', 'CCOC(=O)c1cn[nH]c1.Cc1cccc(C)c1CNc1cc(Br)cn2c(C)c(C)nc12', 'Cc1ccc(C(=O)NCC2CC2)cc1-c1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F'] | 2 | Its SMILES notation is CCOC(=O)c1cnn(-c2cc(NCc3c(C)cccc3C)c3nc(C)c(C)n3c2)c1. | ChemQA/retro_39037 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CCCCCC(=O)Cl.O=c1c2ccccc2nc2[nH]c3ccccc3n12', 'CC(C)(C)c1cccc(NC(=O)c2ccc(C3CCNCC3)cc2)c1.Cc1cc(Br)ccc1C(=O)O', 'CC1(C)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O.COC(=O)c1ccc(Cc2ccccc2CBr)cc1', 'CC(=O)Cl.CCCCC12CCC(=O)C(Br)=C1c1cc(F)c(N)c(Cl)c1C2'] | 0 | Its SMILES notation is CCOC(=O)CCCCCC(=O)n1c2ccccc2n2c(=O)c3ccccc3nc12. | ChemQA/retro_39038 |
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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)N[C@@]12CC[C@H](F)[C@@H]1CN(C(=O)OCc1ccccc1)C2', 'O=C=NCCOCc1ccccc1.OCCNCCO', 'Brc1ccc2c(c1)CCN2.O=C=Nc1ccccc1', 'CC(C)(C)OC(=O)N1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1'] | 3 | Its SMILES notation is FC(F)(F)COc1nc(Nc2cccc(C(F)(F)F)c2)nc(NC2CCNCC2)n1. | ChemQA/retro_39039 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1ccc(N)cc1.O=[N+]([O-])c1cccnc1Cl', 'COCc1ccc(C)c(NCC=O)c1.O=C(Cl)CCl', 'CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1', 'CNOC.COCOc1cc(C(=O)O)n(Cc2ccc(C(F)(F)F)cc2Cl)n1'] | 3 | Its SMILES notation is COCOc1cc(C(=O)N(C)OC)n(Cc2ccc(C(F)(F)F)cc2Cl)n1. | ChemQA/retro_39040 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#CC1(C(=O)O)CC1.N[C@@H]1CCC[C@H](Nc2cc(-c3c[nH]c4ncc(F)cc34)ccc2F)C1', 'CCN(Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1.CCOC(=O)Cc1ccc(OCC2CC2)c(Br)c1', 'C#C[Si](C)(C)C.COC(=O)c1cc(Br)ccc1OC(F)(F)F', 'CCC(=O)C(Cc1ccc(C(=O)N2CCCC2)cc1)C(=O)OC.COC(=O)COc1ccc(Cl)c(N)c1'] | 2 | Its SMILES notation is COC(=O)c1cc(C#C[Si](C)(C)C)ccc1OC(F)(F)F. | ChemQA/retro_39041 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(C(=O)N2CCc3ccc(C(=O)NOC4CCCCO4)cc3C2)cc1', 'CCCN.COC(=O)c1cnc(Cl)c(C#N)c1', 'C#C[Si](C)(C)C.CCc1sc(Br)nc1C(=O)O', 'CCOC(=O)c1ccc(N)cc1.COc1ccccc1CCCBr'] | 1 | Its SMILES notation is CCCNc1ncc(C(=O)OC)cc1C#N. | ChemQA/retro_39042 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrC(Br)(Br)Br.CCOc1ccc([N+](=O)[O-])c(C=O)c1', 'CC(=O)CCc1ccccc1C(F)(F)F.[C-]#N.[NH4+]', 'Fc1ccc(S)cc1.OCCCCl', 'CN1CCNCC1.COC(=O)c1ccc(F)cc1'] | 1 | Its SMILES notation is CC(N)(C#N)CCc1ccccc1C(F)(F)F. | ChemQA/retro_39043 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)Cl.CC1=CC(C)(C)Nc2ccc(NC(=O)OC(C)(C)C)cc21', 'NCc1ccc(CN)cc1.O=C(Cl)OCc1ccccc1', 'CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1CN)Cc1ccccc1F.COc1ccc(S(=O)(=O)Cl)cc1OC', 'O=Cc1cccc(O)c1Cl'] | 0 | Its SMILES notation is CC(=O)N1c2ccc(NC(=O)OC(C)(C)C)cc2C(C)=CC1(C)C. | ChemQA/retro_39044 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=O.COc1cc(OC)c(F)c(N2Cc3cnc4c(ccn4COCC[Si](C)(C)C)c3C3(CCNCC3)C2=O)c1F', 'C=Cc1ccc(OCP(=O)(OCC)OCC)c([N+](=O)[O-])c1', 'CN1CCc2ccc(-c3ccc(-c4cncc(N)c4)s3)cc2C1=O.O=S(=O)(Cl)c1ccc(F)cc1F', 'CS(=O)(=O)c1cc(C(=O)O)cc(C(F)(F)F)c1.Fc1ccccc1-c1ccncc1NCC(F)F'] | 0 | Its SMILES notation is COc1cc(OC)c(F)c(N2Cc3cnc4c(ccn4COCC[Si](C)(C)C)c3C3(CCN(C)CC3)C2=O)c1F. | ChemQA/retro_39045 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['ClCc1coc(-c2cc3c(s2)CCCC3)n1.Oc1ccc(CCCn2ccnc2)cc1', 'O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)C1', 'COC(=O)c1c(OC)c(C(C)N)nc2ccc(F)cc12.N#Cc1c(N)ncnc1Cl', 'CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2c(Cl)ccc(Nc3c(Cl)c(=O)c3=O)c2O)CC1.Nc1ccccc1'] | 1 | Its SMILES notation is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCNCC2)C1. | ChemQA/retro_39046 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC.COc1ccc2ccccc2c1C(=O)O', 'CC(C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1', 'Nc1ccccn1.O=C(O)c1ncccc1OC[C@H]1C[C@@H](OCOCc2ccccc2)CN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1', 'CCC1CC1(NCC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1'] | 1 | Its SMILES notation is NC(=O)CC[C@H](NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)C(=O)O. | ChemQA/retro_39047 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ccc(Oc2ccnc3c2CCN3)c(F)c1.Nc1nc(Cl)cc(-c2ccc(F)cc2)n1', 'CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCC1.CC1(C)OB(c2cccc(N3CCOCC3)c2)OC1(C)C', 'CI.COc1cccc2oc(=O)c3c4c(ccc3c12)NC(C)(C)C(=O)N4', 'CC(N)=S.O=C1c2ccccc2N(C(=O)c2ccccc2)CCC1Br'] | 0 | Its SMILES notation is Nc1nc(Nc2ccc(Oc3ccnc4c3CCN4)c(F)c2)cc(-c2ccc(F)cc2)n1. | ChemQA/retro_39048 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1onc(-c2ccccc2)c1-c1cn2ccc(C(=O)O)cc2n1.NCC1CC1', 'FC(F)(F)CI.O=Cc1cc(Cl)ccc1O', 'Nc1nc2cc(-c3cccnc3)cc(Cl)n2n1.OB(O)c1cccnc1', 'CC1(C)OC(C)(C)C(Cl)=CC1=O.OCc1cnc(-c2ccc(Cl)cc2)[se]1'] | 1 | Its SMILES notation is O=Cc1cc(Cl)ccc1OCC(F)(F)F. | ChemQA/retro_39049 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1c(F)ccc([N+](=O)[O-])c1Cl', 'CN1C=CC(N)=c2ccc3c4c([nH]c(=O)c-4c21)=CCN3c1ccc(F)cc1.O=S(=O)(Cl)c1ccccc1', 'C1CCNCC1.COC(=O)c1c(C)noc1C(=O)O', 'COC(=O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1'] | 2 | Its SMILES notation is COC(=O)c1c(C)noc1C(=O)N1CCCCC1. | ChemQA/retro_39050 |
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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)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)[C@@H](C(=O)O)C1.NCc1ccc(OC(F)(F)F)cc1', 'CC1(C)NC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O.COC(=O)c1ccc(C(=O)c2ccccc2CBr)cc1', 'CC[C@H](C)N.COC(=O)c1cc(Cl)nc(S(=O)(=O)C(C)C)c1', 'CC1(COc2ccc(Br)c(F)c2)COC1.CON(C)C(=O)C(NC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1'] | 2 | Its SMILES notation is CC[C@H](C)Nc1cc(C(=O)OC)cc(S(=O)(=O)C(C)C)n1. | ChemQA/retro_39051 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C(CCC#N)N=[N+]=[N-]', 'CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1.CCCCC(=O)c1cccc(O)c1', 'Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Fc1ccccc1N1CCNCC1', 'CN(Cc1ccccc1Cl)C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl.c1cn[nH]c1'] | 1 | Its SMILES notation is CCCCC(=C(c1ccc(OC(=O)C(C)(C)C)cc1)c1ccc(OC(=O)C(C)(C)C)cc1)c1cccc(O)c1. | ChemQA/retro_39052 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(NC1CCCCC1)C1CC2(CC2)CN1Cc1ccccc1', 'CCCC(CC(=O)OCC)Cc1ccc(F)c(OC)c1', 'CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N)c(F)c1.CC(C)(C)OC(=O)NC1(C(=O)O)CC1', 'CC(O)(C(=O)O)C(F)(F)F.Nc1ccc(S(=O)(=O)c2ccccc2)s1'] | 1 | Its SMILES notation is CCCC(CC(=O)O)Cc1ccc(F)c(OC)c1. | ChemQA/retro_39053 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C(C)(C)NCCNC(=O)OC(C)(C)C', 'NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C(Cl)c1ccccn1', 'COc1ccc(Cn2nc(CCc3cnc4ccc(Cl)cc4n3)nc2N2CCCC2)cc1', 'COc1cc(C2CC2)ccc1B1OC(C)(C)C(C)(C)O1.O=S(=O)(Nc1ncns1)N1CCc2c(ccnc2Cl)C1'] | 1 | Its SMILES notation is O=C1CCC(N2Cc3cc(CNC(=O)c4ccccn4)ccc3C2=O)C(=O)N1. | ChemQA/retro_39054 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNC.COC(=O)c1ccc(CBr)c(C(F)(F)F)c1', 'CCC(C(=O)O)c1ccc([N+](=O)[O-])cc1', 'COC(=O)[C@H](CO)NC(=O)c1cccc2c1NC1CCCC21', 'O=C1Cc2ccc(Br)cc2N1.OB(O)c1ccccc1'] | 1 | Its SMILES notation is CCC(CO)c1ccc([N+](=O)[O-])cc1. | ChemQA/retro_39055 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)CCN1CCNCC1.O=C(O)c1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1', 'CC(C)(C)c1ccc(N2C(=O)c3c(ccnc3F)C2O)cc1', 'CC1CCCCN1c1ccc(C(=O)O)cc1[N+](=O)[O-]', 'C=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C(=O)OC)C1'] | 0 | Its SMILES notation is CN(C)CCN1CCN(C(=O)c2ccc(C=NNc3ncnc4c3cnn4-c3ccccc3)cc2)CC1. | ChemQA/retro_39056 |
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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)COc1ccc(-c2c(Cl)c(CN3C(=O)CCC3=O)nc3sc4c(c23)CCS(=O)C4)cc1', 'NC(N)=S.O=C1c2sc3nc4ccccc4n3c2CCC1Br', 'COCCO.NC(CC(=O)O)c1ccccc1', 'CCOC(=O)Cc1nc(Cl)ccc1Cl.NCC(F)(F)c1ccccc1'] | 1 | Its SMILES notation is Nc1nc2c(s1)CCc1c-2sc2nc3ccccc3n12. | ChemQA/retro_39057 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C1CCCCc2cc(N3C[C@H](CO)OC3=O)ccc21.Oc1ccon1', 'CCC(=O)C(C(=O)CC)C(=O)OC.NNc1c(Cl)cc(C(F)(F)F)cc1Cl', 'Cc1cc(N)ccc1C1CCN(C(=O)OC(C)(C)C)CC1.O=c1[nH]ccc2cc(Cl)nc(Cl)c12', 'CC(=O)CN.O=C(O)c1ccc(Cc2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)nn1'] | 1 | Its SMILES notation is CCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(CC)c1C(=O)OC. | ChemQA/retro_39058 |
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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)OCC1CNCCN1.COc1cc(C(=O)Cl)cc(OC)c1OC', 'COc1cc(OC)nc(OC(C(=O)O)C(SC)(c2ccccc2)c2ccccc2)n1.OO', 'O=C1CC(c2ccncc2[N+](=O)[O-])OC2(CC2)C1', 'CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.CC(C)(N)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1'] | 2 | Its SMILES notation is O=[N+]([O-])c1cnccc1[C@H]1C[C@@H](O)CC2(CC2)O1. | ChemQA/retro_39059 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C(=O)O)c1ccc(C#N)cc1.NCc1ccc(C(F)(F)F)nc1N1CCCC1', 'CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCNC2=O)CC1.O=C(CCl)N1CCOCC1', 'O=C(O)C=CC(=O)c1ccccc1O', 'CCC(C)N.COc1ccc(-c2nc(CCl)nc3cc(OC)c(OC)cc23)cc1OC'] | 1 | Its SMILES notation is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CC(=O)N3CCOCC3)C2=O)CC1. | ChemQA/retro_39060 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrC1CCCC1.COc1cc(F)c(C=O)cc1O', 'CCO.Cc1n[nH]c(C(=O)O)c1[N+](=O)[O-]', 'C[C@H](NC(=O)OC(C)(C)C)C(=O)O.O=C(OCc1ccccc1)[C@@H]1CCCN1', 'C#CC[Si](C)(C)C.CCc1c(I)[nH]c(C=O)c1C(=O)OC'] | 1 | Its SMILES notation is CCOC(=O)c1[nH]nc(C)c1[N+](=O)[O-]. | ChemQA/retro_39061 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=Cc1ccccc1)C(=O)O', 'COc1ccc(-c2cc3ccc(OC)cc3s2)cc1.O=C(Cl)c1ccc(I)cc1', 'CC(C)n1c(-c2cc3c(s2)-c2ccc(Br)cc2OCC3)n[nH]c1=O.CC1(C)OB(c2cn[nH]c2)OC1(C)C', 'CCCCCCCOc1c(C)cc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1C.[OH-]'] | 0 | Its SMILES notation is CC(Cc1ccccc1)C(=O)O. | ChemQA/retro_39062 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CSc4ccccc4)cc2)CCO3)cc1.O=S([O-])([O-])=S', 'CC(=O)Cl.CC(=O)Nc1ccc2c(c1)CCC2', 'CCC(=O)c1ccc(Cl)cc1.NO', 'Cn1c2c(c3cc(OC(=O)CCl)ccc31)CCC2=O'] | 1 | Its SMILES notation is CC(=O)Nc1cc2c(cc1C(C)=O)CCC2. | ChemQA/retro_39063 |
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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)N1Cc2ccc(Br)cc2C1.[C-]#N', 'COc1ccc(S(=O)(=O)Cl)cc1.C[C@@H]1Nc2ccccc2-c2ccc(F)cc21', 'Brc1cccnc1.[Mg+]C1CCCC1', 'CC(C)(C)OC(=O)Nc1cc(CCc2cccc(N)c2)ccn1.Clc1ncc(Cl)c(Cl)n1'] | 1 | Its SMILES notation is COc1ccc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3[C@@H]2C)cc1. | ChemQA/retro_39064 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#CC1C(=O)N(C(CC)C(N)=O)CC1Br', 'CC[C@H](C)[C@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(=O)O.CNC', 'CC(=O)O.Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1', 'CC(=O)CCCc1cccs1'] | 3 | Its SMILES notation is CC(O)CCCc1cccs1. | ChemQA/retro_39065 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NC(=O)[C@@H](N)CC1CC1.O=C(O)c1ccc(C2CCOC2)c(OCC2CC2)n1', 'CC(C)(C)OC(=O)Nc1n[nH]c2nc(NC(=O)C3CC3)sc12', 'C=O.CCOC(=O)CNc1cc(-c2noc(-c3sccc3Cl)n2)ccc1Cl', 'CC(=O)[O-].COc1cc2c(c(Cl)c1Cl)C(=O)C(CCCl)C2'] | 3 | Its SMILES notation is COc1cc2c(c(Cl)c1Cl)C(=O)C(CCOC(C)=O)C2. | ChemQA/retro_39066 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)c([N+](=O)[O-])c2c1=O.[NH4+]', 'CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncnc(NC4CCCC4)n3)nc2)CC1', 'N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N.Oc1ccccc1-c1ccccc1', 'C1COCCN1.Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2cc(Cl)ccn2)cc1'] | 2 | Its SMILES notation is N#Cc1c(Cl)c(Cl)c(Oc2ccccc2-c2ccccc2)c(Cl)c1C#N. | ChemQA/retro_39067 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOP(=O)(CNCc1ccccc1)OCC', 'N#CBr.c1ccc2c(c1)CNCc1ccccc1-2', 'CC(C)(C)OC(=O)N1CCC(CO)CC1.Cc1cc(O)cc(OS(=O)(=O)c2ccccc2)c1', 'COc1cc(N)c2nccc(C)c2c1.O=C1c2ccccc2C(=O)N1CCCCCCBr'] | 2 | Its SMILES notation is Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)c2ccccc2)c1. | ChemQA/retro_39068 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)c1O.Nc1nccs1', 'Cc1cccc(Oc2ccc(N)cn2)c1C.O=C(Cl)C1(c2ccc3c(c2)OCO3)CC1', 'CN(Cc1cc(F)ccc1S(=O)(=O)Cl)C(=O)C(F)(F)F.COC(=O)c1c(N)ccc2c1OCC1CC21', 'C[C@]1(c2cc(N)ccc2F)N=C(N)OCC1(F)F.O=C(O)c1ncc(C(F)(F)F)cn1'] | 1 | Its SMILES notation is Cc1cccc(Oc2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cn2)c1C. | ChemQA/retro_39069 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1=COCCC1.O=C(CCl)NCC(O)CNC(=O)CCl', 'Nc1ccc(CCc2ccccn2)cc1.O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1', 'CCOC(=O)C1CCc2sc3ccc(Br)cc3c2C1.N#C[Cu]', 'COC1CCN(CCCCNC(=O)OCc2ccccc2)CC1'] | 1 | Its SMILES notation is O=C(Nc1ccc(CCc2ccccn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1. | ChemQA/retro_39070 |
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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](CC3OCCO3)[C@H](OC3CCCCO3)C[C@@H]2O1', 'O=C(OO)c1cccc(Cl)c1.O=c1nc(-c2cccc(SCCCc3ccccc3)n2)sc2ccccc12', 'COc1nc(N)c(C#N)c(-c2cccc(C(=O)O)c2)c1C#N.O=Cc1cccc(C(=O)O)c1', 'CC(C)c1cccc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)c1.CCCN1CCC[C@@]12CCN([C@@H](C)C(=O)O)C2=O'] | 0 | Its SMILES notation is OC1CC2C(CC(OC3CCCCO3)C2CC2OCCO2)O1. | ChemQA/retro_39071 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CNC1.O=C1CCC(O)(c2cccc(O)c2)CC1', 'O=[N+]([O-])C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1', 'CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(Br)n3n2)CC1', 'CC1(C)[C@H]2CC[C@@H](CCCl)[C@@H]1C2.OCCCCO'] | 2 | Its SMILES notation is Brc1cnc2ccc(N3CCNCC3)nn12. | ChemQA/retro_39072 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(NC1CC(CCOCc2ccccc2)Nc2ccc(C(F)(F)F)cc21)OCc1ccccc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F', 'CCCCn1c(-c2ccccc2)nc(F)c1CO.NCc1ccc2c(c1)OCO2', 'C#Cc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1', 'O=Cc1c[nH]c2ncccc12.O=S(=O)(Cl)c1ccccc1'] | 1 | Its SMILES notation is CCCCn1c(-c2ccccc2)nc(F)c1CNCc1ccc2c(c1)OCO2. | ChemQA/retro_39073 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)c1ccc(C(CC2CCCCO2)C(=O)O)cc1C(F)(F)F.Nc1cnccn1', 'CCCC[C@]1(CC)CSc2cc(OC)ccc2C(c2ccccc2)=N1', 'CCOC(=O)Cl.Nc1ccc2c(ccn2-c2ccc(NC(=O)N(O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1', 'CC(C)C[C@@H](CP(=O)(O)CC(=O)O)NC(=O)c1ccccc1.O=C(OCc1ccccc1)[C@@H]1CCCN1'] | 2 | Its SMILES notation is CCOC(=O)Nc1ccc2c(ccn2-c2ccc(NC(=O)N(O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1. | ChemQA/retro_39074 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccc(F)c(Cl)c1.O=Cc1ccc(O)c2ccccc12', 'CC(C)(C)c1ccc(S)cc1.ICCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1', 'Clc1nccc(-c2c[nH]nc2-c2cccc(OCc3ccccc3)c2)n1.Nc1ccc(C(=O)O)cc1', 'CCC(=O)Cl.Cc1cc(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](N)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F'] | 3 | Its SMILES notation is CCC(=O)N[C@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C)c(F)cc4OCC4CC4)ncnc23)CC1. | ChemQA/retro_39075 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['ClCc1cc2ncccc2s1.N', 'COc1cc2c(-c3cc4c(C=O)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC.NCCc1ccccc1', 'COC(=O)[C@@H]1CC[C@@H](Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn2)C1', 'CS(=O)(=O)c1cc(F)c(F)cc1F.C[C@@H](CO)Oc1cc(O)cc(C(=O)Nc2ccn(C)n2)c1'] | 1 | Its SMILES notation is COc1cc2c(-c3cc4c(CNCCc5ccccc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC. | ChemQA/retro_39076 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)N)c1.O=C(O)c1nc2ccccc2s1', 'CCOP(=O)(CC(N)=NOC(=O)c1cccc(C)n1)OCC.CCOP(=O)(Cc1noc(-c2cccc(Cl)c2)n1)OCC', 'COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(=O)O)CC(F)(F)C2)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1)C(C)C', 'CNCC1CCN(Cc2ccccc2)CC1.O=C(CCCI)c1ccc(F)cc1'] | 2 | Its SMILES notation is COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)COC(=O)[C@@H]3CC4(CN3C(=O)[C@@H](NC(=O)OC)C(C)C)CC(F)(F)C4)cc2)cc1)C(C)C. | ChemQA/retro_39077 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1(S(=O)(=O)c2ccc(OCCC(C)C)cc2)CCN(Cc2ccccc2)CC1', 'CCOC(=O)C(Cl)OC(=O)C(C)(C)C.CCOP(=O)(CCCCc1ccccc1)CC(=O)N1N=C(c2ccccc2)CC1C(=O)O', 'Clc1nccc2c(Br)cccc12.Nc1cccc(-n2ccnc2)c1', 'CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNCc1ccccc1'] | 2 | Its SMILES notation is Brc1cccc2c(Nc3cccc(-n4ccnc4)c3)nccc12. | ChemQA/retro_39078 |
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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)N[C@H](CCC(=O)O)C(=O)OCc1ccccc1.Nc1ccccc1Nc1ccccc1', 'N#Cc1ccnc(CO)c1', 'CC1(C)CCN(C2CC2)c2ccc(C#C[Si](C)(C)C)cc21', 'CCOC(CCNCC1OCC(C)C(C)O1)OCC.O=C(Cl)CBr'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1ccccc1Nc1ccccc1)C(=O)OCc1ccccc1. | ChemQA/retro_39079 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)N[C@H](CC(N)=O)C(=O)O.Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1', 'COc1cccc(S)c1.Cc1c(-c2ccnc(N)n2)sc2ccc(Br)cc12', 'CNCC1CCN(Cc2ccccc2)CC1.O=C(CCCI)c1ccc(F)cc1', 'ON=C1c2cc(Br)c(F)cc2C2CC1C2'] | 0 | Its SMILES notation is CC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1. | ChemQA/retro_39080 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=[N+]([O-])c1cc(Cl)c(OC(F)(F)C(F)(F)F)cc1Cl', 'CC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCC(=O)C(C)(C)C', 'CC1=C(c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2C)CCC[C@H]1O.CI', 'CC(=O)OC(C)c1ccccc1'] | 2 | Its SMILES notation is CO[C@@H]1CCCC(c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2C)=C1C. | ChemQA/retro_39081 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1CC2CCC(C1)N2.CN(C)C(=O)n1cnc(S(=O)(=O)Cl)n1', 'CCOC(=O)/C=C/C#Cc1ccc(C(F)(F)F)cc1', 'CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.Cc1noc(-c2ccc(Br)cc2)c1NC(=O)N(C)[C@H](C)c1ccccc1', 'CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H](F)C1.CCc1nn(Cc2cn[nH]c2)c2cccc(NC(=O)c3cnc4ccccn34)c12'] | 0 | Its SMILES notation is CN(C)C(=O)n1cnc(S(=O)(=O)N2C3CCCC2CC3)n1. | ChemQA/retro_39082 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCOc1nc(N)c2nc(OC)n(CCC3CCCCN3C(=O)OCc3ccccc3)c2n1', 'CCC1(CC)c2ccc(OC)cc2C(=O)C1CC=O.C[C@@H](O)CN', 'BrCCCCCCBr.OCCOCc1ccccc1', 'CC(C)(C)OC(=O)N1CCNCC1.O=C(Cl)c1cccc2ccccc12'] | 1 | Its SMILES notation is CCC1(CC)c2ccc(OC)cc2-c2c1ccn2C[C@@H](C)O. | ChemQA/retro_39083 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(CCC(F)(F)F)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3C)cc2)C1', 'C#Cc1ccc(OC)cc1.O=Cc1ccccc1Br', 'CNC(=O)C1CN(CC(=O)O)CCO1.COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1Cc1ccccn1', 'C=CCBr.CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CCN2)c(OCc2ccccc2)c1'] | 3 | Its SMILES notation is C=CCN1CC[C@H](O)C[C@@H]1c1ccc(C(C)(C)CCCCCC)cc1OCc1ccccc1. | ChemQA/retro_39084 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)Cc1cnc(Cc2ccc(N)cc2)n2ccnc12.O=C(Cl)c1ccc(C(F)(F)F)cc1', 'COC(=O)CCCOc1cn[nH]n1', 'CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(Br)cc1)C2.CS(=O)(=O)N1CCNCC1', 'CCOC(=O)C(C)Br.Oc1ccc(Oc2cc3cc(Cl)ccc3nc2Cl)cc1'] | 1 | Its SMILES notation is O=C(O)CCCOc1cn[nH]n1. | ChemQA/retro_39085 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)Cl)cc1)=NC(C)(C)C2.Nc1ccncc1', 'CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)NCCC(=O)C3C(=O)OC(C)(C)OC3=O)cc2)C1', 'C=C(C)CBr.CC(C)(C)OC(=O)N1CCC[C@@H]1CO', 'COC(=O)[C@H](CNC(=O)c1cccc(OCCCN)c1)NC(=O)c1c(C)nc(NCCCc2cccc(O)c2)nc1C'] | 1 | Its SMILES notation is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)NCCCC3C(=O)OC(C)(C)OC3=O)cc2)C1. | ChemQA/retro_39086 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NCc1nc(C(F)(F)F)no1.O=C(O)c1cnc(OCC2CCOC2)c(-c2ccc(Cl)cc2)c1', 'COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(NC4CCN(C(C)(C)C)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1', 'CC(C)(C)N=NC1(N=C=O)CCCCC1.CNN', 'CCOC(=O)c1ccc(NCCCOc2ccccc2)cc1'] | 0 | Its SMILES notation is O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC2CCOC2)c(-c2ccc(Cl)cc2)c1. | ChemQA/retro_39087 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCc1cc2cc(OC)ccc2c(O)c1-c1ccccc1.O=Cc1ccc(F)cc1', 'O=C1c2ccccc2C(=O)N1CCCCCn1ccnc1', 'C=C(c1ccc(C(=O)OC)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C', 'CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C'] | 3 | Its SMILES notation is CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C. | ChemQA/retro_39088 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNC.COC(=O)c1ccc(F)c(F)c1', 'C[C@@H](O)[C@@H](C)Oc1nc(Cl)ncc1Br.Cc1cc(N)cc(C)c1S(N)(=O)=O', 'C/C(N)=N/OC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1', 'COc1ccc(C2Sc3ccccc3NC(=O)C2=O)cc1'] | 1 | Its SMILES notation is Cc1cc(Nc2ncc(Br)c(O[C@H](C)[C@@H](C)O)n2)cc(C)c1S(N)(=O)=O. | ChemQA/retro_39089 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C1CC(=O)N(C(C)c2ccccc2)C1', 'Cc1cc(C)cc(Oc2ccc(C(=O)O)cc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1', 'CCOC(=O)C1(Cc2ccc(Br)cc2)CCC(=O)N1.Fc1ccc(Br)nc1', 'CCNCC1CC1.Fc1ccc2c(c1)C(c1ccccc1F)=NCc1nnc(CCl)n1-2'] | 0 | Its SMILES notation is C[C@@H](c1ccccc1)N1CC(CO)CC1=O. | ChemQA/retro_39090 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['[N-]=[N+]=N[C@H]1CCN(C(=O)OCc2ccccc2)C1', 'OCc1cnc2snnc2c1', 'COc1ccc(COc2ccc(N)c(C)c2)cc1.Cn1cnc2cnc(Cl)cc21', 'CCCCCC[C@@H](O)C/C=C\\CCCCCCCC(=O)OCC.CI'] | 2 | Its SMILES notation is COc1ccc(COc2ccc(Nc3cc4c(cn3)ncn4C)c(C)c2)cc1. | ChemQA/retro_39091 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)O[C@@H]1[C@H](OCc2ccccc2)[C@](COC(C)(C)C)(COS(=O)(=O)c2ccc(C)cc2)O[C@]1(n1cc(C)c(=O)[nH]c1=O)[SiH](c1ccccc1)c1ccccc1', 'CI.COc1cc2nc(N3CCN(c4nc5ccccc5[nH]4)CC3)nc(N)c2cc1OC', 'CN(C)S(=O)(=O)Cc1ccc2[nH]cc(CCCOS(C)(=O)=O)c2c1.COc1cncnc1N1CCNCC1', 'Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.FC(F)(F)CI'] | 0 | Its SMILES notation is Cc1ccc(S(=O)(=O)OC[C@]2(COC(C)(C)C)O[C@](n3cc(C)c(=O)[nH]c3=O)([SiH](c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2OCc2ccccc2)cc1. | ChemQA/retro_39092 |
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