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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['ClCc1csc(-c2ccc(Cl)cc2)n1.N#Cc1c(N)nc(S)c(C#N)c1-c1cscn1', 'COC(=O)c1cccc(O)c1.C[C@H](O)C(=O)OCc1ccccc1', 'Cn1ncc(Br)c1N.O=C(Cl)c1ccc(I)cc1', 'COCC(=O)Cl.Cc1[nH]c2c(-c3c(OCC4CC4)ccc4c3OCO4)ncnc2c1C(=O)N[C@@H]1CCNC1'] | 2 | Its SMILES notation is Cn1ncc(Br)c1NC(=O)c1ccc(I)cc1. | ChemQA/retro_39593 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CI.OCc1cccc(F)c1O', 'COC(=O)c1ccc(-c2cc(Cl)c(C[C@@H]3CCN([C@H]4CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CC4)C3=O)c(Cl)c2)cc1', 'NC(=O)c1cnc(N)c2c1sc1ccc(Cl)cc12.OB(O)c1ccccc1', 'CC(C)CN.O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl)c1c(F)cccc1F'] | 2 | Its SMILES notation is NC(=O)c1cnc(N)c2c1sc1ccc(-c3ccccc3)cc12. | ChemQA/retro_39594 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C(=Cc1ccc(O)cc1)C(=O)OC.Cc1oc(-c2ccccc2)nc1CCOS(C)(=O)=O', 'BrC(Br)(Br)Br.OCc1ncc(C2CC2)cn1', 'O=S(=O)(Cl)c1ccccc1.[N-]=[N+]=NCCN', 'Cc1nc(-c2cccc([C@@H](CN3CC[C@H](O)C3)N(C)C(=O)OCc3ccccc3)c2)no1'] | 3 | Its SMILES notation is CN[C@H](CN1CC[C@H](O)C1)c1cccc(-c2noc(C)n2)c1. | ChemQA/retro_39595 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)C(=O)Cl.C[C@@H](N)c1ccccc1', 'COCCc1c[nH]c2nccc(Oc3ccc(N)cc3F)c12.Nc1nc(Cl)cc(C(F)(F)F)n1', 'CCOC(=O)c1cncc(-c2ccc([NH3+])cc2)c1.Cc1[nH]c(C(=O)Cl)c(Cl)c1Cl', 'CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC1(CNC1)C2.On1nnc2ccccc21'] | 3 | Its SMILES notation is CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC1(C2)CN(C(C)=O)C1. | ChemQA/retro_39596 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCCCC(=O)CCC(C)OC(=O)c1c(OC)cc(OC)cc1OS(=O)(=O)C(F)(F)F.CN(C)C=O', 'O=C(O)c1ccc(Br)cc1[N+](=O)[O-].O=C([O-])[O-]', 'C[C@@H]1CCS(=O)(=O)N1.Cc1cnc(N2CCN(C(=O)c3ccc(I)cc3F)CC2)c(C2CC2)c1', 'C=O.COc1ccc(-c2cc3cnn(Cc4cccc(OC[C@@H]5CCCCN5)n4)c(=O)c3s2)cc1'] | 3 | Its SMILES notation is COc1ccc(-c2cc3cnn(Cc4cccc(OC[C@@H]5CCCCN5C)n4)c(=O)c3s2)cc1. | ChemQA/retro_39597 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(C)c2c(c1)c1c(n2C)CCN(C(=O)OC(C)(C)C)C1', 'CCOC(=O)c1c(CN(CC)CC)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCNC3.O=C=Nc1ccccc1', 'CCC[C@](CCO)(CCc1ccccc1)OCOc1ccc(-c2ccccc2)cc1', 'Fc1cc(Br)ccn1.NCCN1CCCC1'] | 1 | Its SMILES notation is CCOC(=O)c1c(CN(CC)CC)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCN(C(=O)Nc1ccccc1)C3. | ChemQA/retro_39598 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(c2cc(Br)ccc2O)CCCCC1.CI', 'CC1C(=O)NN1C(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)N=C=O)cc1', 'COC(=O)c1ccc(Cc2c(C)nn(-c3ccc(C#N)cc3)c2C)cc1', 'CNC(=O)C(=O)C(C)(C)C'] | 3 | Its SMILES notation is CNC(=O)[C@H](O)C(C)(C)C. | ChemQA/retro_39599 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1cc(-c2cccc(Cl)c2)nc2c1[nH]c1nc(N3CCOCC3)ccc12.N', 'CC(C)(C)c1ccc(C(=O)O)cc1.N[C@H]1CC[C@H](CCN2CCCCC2c2coc3cccc-3c2)CC1', 'CCCCCCN1CCCC(CO)C1.COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(O)cc2)cc1', 'CC(C)n1ncnc1-c1cn2c(n1)-c1cc(Cl)ncc1OCC2'] | 0 | Its SMILES notation is NC(=O)c1cc(-c2cccc(Cl)c2)nc2c1[nH]c1nc(N3CCOCC3)ccc12. | ChemQA/retro_39600 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)Cn1cccc(Br)c1=O.NN', 'CC(=O)OCC(=O)OCC(C)(C)c1nnc(N)s1.COc1cccc(OC)c1C(=O)Cl', 'CN1CCN([C@H]2CC[C@@H](n3nc(I)c4c(N)ncnc43)CC2)CC1.O=C(NCCc1ccccc1)c1ccc(B(O)O)cc1', 'CC(C)(C)OC(=O)NCC(=O)N1CCNCC1.CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)O'] | 2 | Its SMILES notation is CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(C(=O)NCCc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1. | ChemQA/retro_39601 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1', 'C1CSCCN1.CCn1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)O)cc4)cc3)nc21', '[N-]=[N+]=NCCCC1CCN(C=O)CC1', 'CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)CC1.Cc1nccnc1O'] | 1 | Its SMILES notation is CCn1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCSCC5)cc4)cc3)nc21. | ChemQA/retro_39602 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCCCCC#CCC#CCC#CCS(=O)(=O)CC(=O)O.CO', 'COC(=O)C(CC(C)C)c1cc(OS(=O)(=O)C(F)(F)F)cc(-c2cc(F)cc(C(F)(F)F)c2)c1.OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1', 'Clc1ccncc1.NS(=O)(=O)c1ccc(C2CCNCC2)cc1', 'Cc1nc(-n2cnn(CCO)c2=O)sc1C(=O)NCc1cccnc1.Fc1ccc(CBr)cc1'] | 1 | Its SMILES notation is COC(=O)C(CC(C)C)c1cc(-c2cc(F)cc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1. | ChemQA/retro_39603 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1', 'CCOc1cc(C2=NNCCC2)ccc1OC.Cc1nc(-c2cccnc2)sc1C(=O)Cl', 'CCOC(=O)CBr.OCCCc1cccc(O)c1', 'c1ccc(CN2CC[C@@H](N3CCCCC3)C2)cc1'] | 1 | Its SMILES notation is CCOc1cc(C2=NN(C(=O)c3sc(-c4cccnc4)nc3C)CCC2)ccc1OC. | ChemQA/retro_39604 |
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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)NCCc1ccc(C#N)cc1', 'CCO.COc1cc(CC(=O)O)ccc1OC(F)F', 'CNc1cc(OC)ccc1[N+](=O)[O-].O=C(O)COc1ccc(CC2SC(=O)NC2=O)cc1', 'CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc3[nH]ncc3c2)CC1'] | 2 | Its SMILES notation is COc1ccc([N+](=O)[O-])c(N(C)C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)c1. | ChemQA/retro_39605 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1OC(F)F', 'CNO.ClCc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2', 'CC(C)(C)OC(=O)N1CCNCC1.O=C(Cl)c1ccccc1[N+](=O)[O-]', 'CN1CCC(OS(C)(=O)=O)C1.NC(=O)c1cc(F)ccc1O'] | 1 | Its SMILES notation is CN(O)Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2. | ChemQA/retro_39606 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCNCc1ccc(-c2ccccc2C#N)cc1.COC(=O)C(C)(C)CCC(=O)O', 'COC(=O)[C@H](Cc1ccc(F)c(Cl)c1)NC(=O)OC(C)(C)C', 'CNC(=O)c1cc(Cl)ccn1.O=C(CCc1ccc(O)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(N)CN'] | 1 | Its SMILES notation is CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)c(Cl)c1)C(=O)O. | ChemQA/retro_39607 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C(N)C(=O)OCC.O=C(O)CO', 'CC[C@H](COC)n1cc(Cl)nc(Cl)c1=O.COc1cc(Cl)c2c(c1)CCN2', 'CNCCC1CNCCO1.O=C(O)c1cn(-c2ccc(F)cc2F)c2c(F)c(F)c(F)cc2c1=O', 'CCN(CC)CCc1ccc2cc[nH]c2c1.Fc1ccc(I)cc1'] | 3 | Its SMILES notation is CCN(CC)CCc1ccc2ccn(-c3ccc(F)cc3)c2c1. | ChemQA/retro_39608 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Clc1ncccn1.O=C(O)C1=CCNCC1', 'Cn1cnc(CN)c1.O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl', 'COC(=O)c1cc(Cl)ccc1Oc1cncc(F)c1', 'CC(C)(C#N)c1cccc([N+](=O)[O-])c1'] | 2 | Its SMILES notation is O=C(O)c1cc(Cl)ccc1Oc1cncc(F)c1. | ChemQA/retro_39609 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN.COC(=O)c1nc(C)c(-c2ccncc2)s1', 'CC(C)(C)OC(=O)N1CCC(N)CC1.O=S(=O)(Cl)c1ccc(Cl)nc1', 'N#Cc1cnc2c(Cl)cc([N+](=O)[O-])cc2c1Nc1ccc(F)c(Cl)c1', 'CN(C)C(=O)Cl.CN(Cc1cccc(-c2ccc(N)cc2)c1)C(=O)CNC(=O)OC(C)(C)C'] | 0 | Its SMILES notation is CNC(=O)c1nc(C)c(-c2ccncc2)s1. | ChemQA/retro_39610 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(NN=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CCBr)cc1', 'CC(C)(F)CN1CCC(COc2cnc(I)cn2)CC1.CCOC(=O)c1ccc(B(O)O)cc1F', 'Cc1cc(NS(=O)(=O)C2(CC=O)CC2)c(N(C(=O)OC(C)(C)C)c2ccc(I)cc2F)n(C)c1=O', 'Cc1cccc(C)c1N.O=C(Br)CBr'] | 0 | Its SMILES notation is Cc1ccc(N(CCc2ccc(F)cc2)N=C(c2ccccc2)c2ccccc2)cc1. | ChemQA/retro_39611 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCN(c2cc(-c3ccc4c(c3)CNCC4)nc(N)n2)CC1.O=C(O)CC1CCC1', 'O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(Cl)cc1', 'CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(N)cc2)C1.Clc1cccnc1Cl', 'C1COCCN1.O=C(CBr)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1'] | 3 | Its SMILES notation is O=C(CN1CCOCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1. | ChemQA/retro_39612 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(CN)CN(C(c2ccccc2)c2ccccc2)C1.O=C(OC(=O)C(F)(F)F)C(F)(F)F', 'C=O.Nc1ccc2c(c1)[nH]c1cc(OCCOCCOCCF)ccc12', 'COc1ccccc1CCO.N#Cc1cccc(-n2nc(C(F)(F)F)cc2O)c1', 'CC(C)(C)c1ccc(N)cc1.O=C(O)C1=CCN(c2ncccc2C(F)(F)F)CC1'] | 0 | Its SMILES notation is CC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1. | ChemQA/retro_39613 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNC(=O)c1ccc(-n2nnc(C(=O)O)c2C)c(OCc2ccccc2)c1.NC1CC1', 'O=C1N(CCCO)c2ccccc2C12COc1cc3c(cc12)OCO3', 'CCC(C)(C)c1ccc(O)c(Cl)c1.ClCC1CO1', 'C=O.CC(=O)c1ccc(C)s1.CNC'] | 2 | Its SMILES notation is CCC(C)(C)c1ccc(OCC2CO2)c(Cl)c1. | ChemQA/retro_39614 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(NCCCn1ccnc1)c1ccc([N+](=O)[O-])cc1', 'CS(=O)(=O)Cl.Nc1ccc2c(c1)CCC2=O', 'CN(CCO)C(=O)c1ncc(F)cc1F', 'CC(=O)O.CNc1c(N)ccc(-c2ccccc2Cl)c1C#N'] | 2 | Its SMILES notation is CN1CCOc2cc(F)cnc2C1=O. | ChemQA/retro_39615 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#CCBr.O=C(O)c1ccc(O)cc1', 'C=O.CC(C)c1ccc(C(N)=O)cc1.c1ccsc1', 'CC(C)(C)C(=O)Cl.CC1(C)CC(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3Cl)nc2O1', 'C[C@H](O)CN.O=C(O)c1cccc(S(=O)(=O)Cc2c(O[C@H](Cn3ccnc3)c3ccccc3)ccc3c2CCCC3=O)c1'] | 0 | Its SMILES notation is C#CCOc1ccc(C(=O)O)cc1. | ChemQA/retro_39616 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(CNc2nc3ccc(-c4ncccc4C)cc3cc2/C=C(\\C)C(=O)NCCC(C)(C)C)cc1', 'CCOC(=O)CBr.O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O', 'CN.COC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1CCCCC1', 'COC(=O)c1ccc(F)cc1Br.OC1CCNCC1'] | 0 | Its SMILES notation is COc1ccc(CNc2nc3ccc(-c4ncccc4C)cc3cc2CC(C)C(=O)NCCC(C)(C)C)cc1. | ChemQA/retro_39617 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cccc(C(O)c2cnc(SC)nc2Cl)c1', 'CCOC(=O)c1cc2ccccc2[nH]1.ClCc1ccc(Cl)cc1', 'CCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)OC)cc2n1.Cn1ncc(N)n1', 'CCCCNC(=O)C(C)(C)CO'] | 0 | Its SMILES notation is COc1cccc(C(=O)c2cnc(SC)nc2Cl)c1. | ChemQA/retro_39618 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1sc(Br)c(Br)c1F.N#Cc1cc(B(O)O)ccc1OCc1ccccc1', 'Cc1onc(-c2ccccc2)c1-c1cn2ccc(C(=O)O)cc2n1.NCC1CC1', 'C#CC(C)(C)C.COC(=O)c1sc(Br)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)[C@H]1CC[C@H](O)CC1', '[N-]=[N+]=NC1C[C@@H](C(=O)O)N(C(=O)CP(=O)(O)CCCCc2ccccc2)C1'] | 3 | Its SMILES notation is NC1C[C@@H](C(=O)O)N(C(=O)CP(=O)(O)CCCCc2ccccc2)C1. | ChemQA/retro_39619 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(C#N)cnc1C(=O)Nc1cc(F)c(F)c([C@]2(C(F)F)COCC(NC(=O)OC(C)(C)C)=N2)c1', 'COC(=O)c1c(-c2cc(Br)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1cccc(N)c1.O=CO', 'CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1.O=C(O)C1CCCOC1', 'Cc1nc(O)c([N+](=O)[O-])c(N2CCc3ccccc3CC2)n1.ClCCCc1ccccc1'] | 1 | Its SMILES notation is COC(=O)c1c(-c2cc(Br)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1cccc(NC=O)c1. | ChemQA/retro_39620 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(B(O)O)c(C)n1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br', 'CC1(C)OC[C@H](CON)O1.CCOC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C', 'COc1cc2nccc(Cl)c2cc1OC.O=c1c(-c2ccc(O)c(F)c2)cncn1Cc1c(F)cc(Cl)cc1F', 'NS(=O)(=O)c1ccccc1.O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)n1'] | 3 | Its SMILES notation is O=C(NS(=O)(=O)c1ccccc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)n1. | ChemQA/retro_39621 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C1CCc2sc3ccccc3c2C1', 'CC(C)(C)[Si](C)(C)O[C@@H]1COC[C@H]1Oc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1.ClCc1csc(-c2ccc(Cl)cc2)n1', 'CC(=O)Cl.CN1C[C@@H](O)C[C@@H](c2ccccc2)C1', 'Cc1cc(C(C)(C)O[SiH2]C(C)(C)C)ccn1.O=C(OO)c1cccc(Cl)c1'] | 2 | Its SMILES notation is CC(=O)O[C@H]1C[C@@H](c2ccccc2)CN(C)C1. | ChemQA/retro_39622 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCC[Sn](CCCC)(CCCC)c1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(N)=O)CC3)cc2n1.Cc1cn2c(Br)cccc2n1', 'CC(=O)Cl.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21', 'CC(C)(C)OC(=O)NCCNc1ccccn1', 'Brc1ncnc2[nH]cnc12.CC(N)c1ccc2cccnc2c1-c1cncc(F)c1'] | 3 | Its SMILES notation is CC(Nc1ncnc2[nH]cnc12)c1ccc2cccnc2c1-c1cncc(F)c1. | ChemQA/retro_39623 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1cccc(Br)c1.CC1(C)OB(c2cccc(-c3cccc4c3sc3ccccc34)c2)OC1(C)C', 'CC(C)(C)c1ccc(Br)c(O)c1.COc1nc(NCCN(C(=O)OC(C)(C)C)C(C)C)nc(OC)c1NC(=O)c1csc(Br)n1', 'C[C@@H](O)C[C@@H](C)O.O=C(O)c1ccccc1', 'Nc1c(OCCCl)cc(Cl)cc1[N+](=O)[O-].[N-]=[N+]=[N-]'] | 1 | Its SMILES notation is COc1nc(NCCN(C(=O)OC(C)(C)C)C(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2Br)n1. | ChemQA/retro_39624 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1.COc1ccc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)cc1', 'CCC(=O)Cl.CCOc1ccc2c(c1-c1ncnc3c(C(=O)N[C@@H]4CCNC4)c[nH]c13)OCO2', 'CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCCC(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccccc3)cc2S(=O)(=O)C1', 'COc1c(-c2cc(C(=O)O)c(C)o2)cccc1[N+](=O)[O-]'] | 2 | Its SMILES notation is CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCCC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2S(=O)(=O)C1. | ChemQA/retro_39625 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NN.O=C(O)c1cccc(OCCCOc2ncnc3scc(-c4ccc(F)cc4)c23)c1', 'COc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)n1', 'Cn1c(=O)ccc2ncc(Cl)c(CCN3CCC(N)CC3)c21.O=Cc1cc2c(cn1)OCCO2', 'CCOC(=O)CC(=O)CCl.O=Cc1ccc(Cl)cc1Cl'] | 1 | Its SMILES notation is COc1ccc(N2C(=O)c3ccccc3C2=O)c(O)n1. | ChemQA/retro_39626 |
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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)Nc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12', 'COc1ccc2c(c1)C(=O)CC2.NNc1ccccc1', 'BrCc1cccc(I)c1.COC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1C', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCc1ccc([N+](=O)[O-])cc1'] | 1 | Its SMILES notation is COc1ccc2c(c1)-c1[nH]c3ccccc3c1C2. | ChemQA/retro_39627 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CI.O=C1Nc2ccc([N+](=O)[O-])cc2CO1', 'Cc1cnc(N2CCC(NC3CC3)CC2)cn1.O=C(O)c1ccc(-c2cnco2)nc1', 'CCOc1cc2c(cc1C(O)CC)C(C(C)(C)C)=CCC2(C)C', 'FC(F)c1nnc2ccc(N3CCNCC3)nn12.O=Cc1cc(F)ccc1C(F)F'] | 1 | Its SMILES notation is Cc1cnc(N2CCC(N(C(=O)c3ccc(-c4cnco4)nc3)C3CC3)CC2)cn1. | ChemQA/retro_39628 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N[C@@H]1C[C@H]1c1cccc(C(=O)NC2CCC(F)(F)CC2)c1.O=CC1CC1', 'Cc1sc(C=O)c(C)c1C', 'BrC(Br)(Br)Br.OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F', 'Brc1ccccc1.Nc1ncc([N+](=O)[O-])cn1'] | 3 | Its SMILES notation is O=[N+]([O-])c1cnc(Nc2ccccc2)nc1. | ChemQA/retro_39629 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Brc1cccc(Sc2nc[nH]n2)n1.CN(C)C(=O)Cl', 'BrCc1ccccn1.CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(O)c5)cc34)cn2)CC1', 'CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2-c2ccc(Cl)cc2)CC1.CN(C)CCCl', 'Fc1ccc2[nH]cc(CCNCC3CC3)c2c1.O=C(O)c1ncccc1Br'] | 2 | Its SMILES notation is CN(C)CCOc1cccc(-c2ccc(Cl)cc2)c1CN1CCN(C(=O)OC(C)(C)C)CC1. | ChemQA/retro_39630 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(B(O)O)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1.O=C(Cl)c1sc2c(F)ccc(F)c2c1Cl', 'CCC[C@H](N)C(=O)C(=O)NCc1ccccc1.O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1', 'Cc1ccc(OCCO)cc1C', 'COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1.COc1cccc(OCCCCBr)c1'] | 0 | Its SMILES notation is COc1ccc(B(O)O)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1. | ChemQA/retro_39631 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CBr.CCc1c(O)cccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1', 'CC(C)(C)[Si](C)(C)OCCBr.CCc1ccc(C=O)c(O)c1', 'C[Si](C)(C)CCOCn1nc(C=Nn2cccc2)c2ccc(Nc3ccccc3C(=O)O)cc21.Cc1cc(CN)n(C)n1', 'COC(=O)C(CC1CC1)[C@@H]1c2ccccc2C[C@H]1N.O=C(O)c1cc2sc(Cl)c(Cl)c2[nH]1'] | 1 | Its SMILES notation is CCc1ccc(C=O)c(OCCO[Si](C)(C)C(C)(C)C)c1. | ChemQA/retro_39632 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCc1c(NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)OC(C)(C)C)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1', 'C=C(C)C(CC/C(C)=C/CCC(C)=CCO)O[Si](C)(C)C(C)(C)C', 'Brc1cncc(Br)c1.CCCC(N)c1ccccc1', 'CC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1.CNC'] | 0 | Its SMILES notation is CCc1c(NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1. | ChemQA/retro_39633 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNCC.O=C(CBr)c1cccc2ccccc12', 'CCOC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CN(C)C=O', 'CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.Nc1ccc(F)cc1N', 'CC(Br)C(=O)c1cccc(Cl)c1.NC1CCC1'] | 3 | Its SMILES notation is CC(NC1CCC1)C(=O)c1cccc(Cl)c1. | ChemQA/retro_39634 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C(O)c1ccncc1.O=c1cc(CNc2ccccc2)c2ccccc2[nH]1', 'Cn1cc(C(=O)O)c2ccccc21.NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1nc(N)sc1-c1cccc(F)c1', 'c1ccc(CN2CCc3ncccc3C2)cc1', 'COC(=O)c1ccc(Oc2cc(-c3ccccc3)ccc2NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1'] | 3 | Its SMILES notation is CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(-c2ccccc2)cc1Oc1ccc(C(=O)O)cc1. | ChemQA/retro_39635 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C1CNCCO1.COc1cccc([C@H]2O[C@H](CCC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC', 'COc1cc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nn3c(C)nc(C)c23)cc(OC)c1OC', 'CCN(Cc1ccc(OC)cc1)c1cc(C(=O)OC)c(F)c(N2CCCC2=O)c1', 'COC(CN)OC.Clc1nc2ccccc2nc1Cl'] | 1 | Its SMILES notation is COc1cc(Oc2nc(-c3cccc(N)c3)nn3c(C)nc(C)c23)cc(OC)c1OC. | ChemQA/retro_39636 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCn1ncc2c(NC3CCCCC3)c(C(=O)O)c(C)nc21.CNOC', 'CC(=O)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1.NO', 'Clc1nc(Nc2cc[nH]n2)cc2ccccc12.Oc1ccccc1', 'CC(C)(CO)C(=O)O.ClCC1CO1'] | 3 | Its SMILES notation is CC(C)(CO)C(=O)OCC1CO1. | ChemQA/retro_39637 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)CNC(=O)c1c(C)[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c1C', 'CCOC(=O)N1CCNCC1.O=C(Cl)CCCCl', 'CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1', 'C1CNCCN1.CCOc1cccc(-n2c(Cl)c(C=O)c3ccccc32)c1'] | 1 | Its SMILES notation is CCOC(=O)N1CCN(C(=O)CCCCl)CC1. | ChemQA/retro_39638 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccccc1CBr.Nc1ccc2c(=O)[nH]c3ncccc3c2c1', 'CNC(=O)c1nc(-c2cccc(N)c2)cnc1N.O=C=NCc1ccccc1', 'CN1CCN(CCCO)CC1.COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1O', 'CCOC(=O)C1CCC(=O)CC1.OCCO'] | 3 | Its SMILES notation is CCOC(=O)C1CCC2(CC1)OCCO2. | ChemQA/retro_39639 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCC(=O)N1CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1', 'Nc1ccccc1OC(F)(F)F.OCCBr', 'CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2C)c1', 'CC(=O)Cl.CC(C)(C)OC(=O)NC1CCNC1'] | 2 | Its SMILES notation is CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2C)c1. | ChemQA/retro_39640 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C1CCc2c(OC)cccc2C1=O', 'COc1ccc(CCl)cc1.c1nc[nH]n1', 'BrCc1cccc(Br)n1.Cc1ccc2[nH]cc(C(=O)c3ccc(C)c(C)c3)c(=O)c2n1', 'Nc1ccc(Cl)c(Cl)c1.O=C(O)c1ccc(F)c([N+](=O)[O-])c1'] | 2 | Its SMILES notation is Cc1ccc2c(n1)c(=O)c(C(=O)c1ccc(C)c(C)c1)cn2Cc1cccc(Br)n1. | ChemQA/retro_39641 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNc1ncc(I)cc1N.O=C(O)c1ncccc1Cl', 'C(#Cc1cc2ccccc2s1)c1cccs1.CN(C)C=O', 'CCI.CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1', 'Cc1cc(C=Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O'] | 1 | Its SMILES notation is O=Cc1ccc(C#Cc2cc3ccccc3s2)s1. | ChemQA/retro_39642 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC[Mg+].O=CCCCCC1C=CCC1', 'Nc1nc2ccc(OCc3c(Cl)cccc3Cl)cc2s1.O=C(O)C1CC1', 'CC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F.COC(=O)NN', 'COc1cccc(-c2nc(SCc3cccc(N)c3)[nH]c(=O)c2C#N)c1.O=C=Nc1ccc(Cl)c(Cl)c1'] | 2 | Its SMILES notation is COC(=O)NN=C(C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F. | ChemQA/retro_39643 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)=CCCC(C)CC(C)O', 'Cc1csc(N)n1.O=C(O)c1cc(Oc2ncc(C(=O)N3CCC3)cc2Cl)cc(O[C@H]2CCOC2)c1', 'CCNCc1cc(C(F)(F)F)ccc1-c1cc(Cl)cc(CC(=O)OCC)c1.O=C(Cl)C1CC1', 'C[C@@H]1CCCN1.ClCCOc1ccc(I)cc1'] | 3 | Its SMILES notation is C[C@@H]1CCCN1CCOc1ccc(I)cc1. | ChemQA/retro_39644 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(OCC)[C@H](C)N(Cc1cccc2ccccc12)C(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)C(c1ccc(Cl)cc1)n1ccc2c(N)cccc21', 'Cc1onc(-c2ccccc2)c1-c1c[nH]cn1.Fc1ccccn1', 'CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)ccc1OCc1ccccc1'] | 0 | Its SMILES notation is CCOC(OCC)[C@H](C)N(Cc1cccc2ccccc12)C(=O)[C@@H](N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1. | ChemQA/retro_39645 |
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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)N1CCc2sc(C(=O)O)cc2C1.CNOC', 'BrC1CCCC1.O=C(c1ccc(OCc2ccccc2)cc1)c1n[nH]c2c(C(F)(F)F)cccc12', 'CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NOP(C)(=O)O', 'Cc1cc(CNC2CCCCC2)ccc1OCC(=O)OC(C)(C)C.O=C(CBr)Nc1ccc(Cl)cc1Cl'] | 3 | Its SMILES notation is Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)OC(C)(C)C. | ChemQA/retro_39646 |
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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](CCCNC(N)=N[N+](=O)[O-])C(=O)NCc1cccs1', 'COC(=O)c1ccc([N+](=O)[O-])cc1CBr.[C-]#N', 'C1COCCN1.CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c(F)c1', 'CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(Cc2ccc(-c3cccs3)cc2)CC1'] | 1 | Its SMILES notation is COC(=O)c1ccc([N+](=O)[O-])cc1CC#N. | ChemQA/retro_39647 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=C(C(=O)O)[C@@H](O)c1ccccc1.CCOC(=O)CN', 'O=C1c2ccccc2C(=O)N1CCc1ccc(CCBr)cc1.OC(c1ccccc1)(c1ccccc1)c1ncn(CC2CCNCC2)n1', 'COC(=O)C(CC1CC1)[C@@H]1c2ccccc2C[C@H]1N.O=C(O)c1cc2sc(Cl)c(Cl)c2[nH]1', 'C1COCCN1.O=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(S(=O)(=O)Cl)cc1'] | 3 | Its SMILES notation is O=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1. | ChemQA/retro_39648 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Nc1ccccc1.O=C1CCc2ccccc21', 'CI.O=C1CCNc2ccc(Cl)cc2N1c1ccccc1', 'CCOC(=O)C(C)(C)C1CCNCC1.O=[N+]([O-])c1ccc(Cl)nc1', 'CC(C)(C)OC(=O)Nc1ccc(CO)nc1.CS(=O)(=O)Cl'] | 3 | Its SMILES notation is CC(C)(C)OC(=O)Nc1ccc(COS(C)(=O)=O)nc1. | ChemQA/retro_39649 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1c(C2=CC(O[Si](C)(C)C(C)(C)C)CC2)c(F)c2oc(C3CC3)nc2c1C#N', 'COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C', 'CCOC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=O.OB(O)c1ccco1', 'CCOC(=O)COCCCCN1C(=O)CCC[C@@H]1/C=C/C(=O)Cc1cccc(Cl)c1'] | 1 | Its SMILES notation is CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCN(C)CCCc1nc2ccccc2[nH]1. | ChemQA/retro_39650 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cc(CN(C(C)C)C2CC2)c2c(c1)C(C)(C)CC(C)(C)O2', 'COc1ccccc1CCN1C(=O)C2CCCC(C1=O)N2C(=O)OCc1ccccc1', 'BrCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1.CNC', 'CS(=O)(=O)c1cccc(B(O)O)c1.FC(F)(F)Oc1ccc(Nc2cc(N3CCCCC3)cc(Cl)n2)cc1'] | 0 | Its SMILES notation is CC(C)N(Cc1cc(C(=O)O)cc2c1OC(C)(C)CC2(C)C)C1CC1. | ChemQA/retro_39651 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3c(F)cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3OC)nc21', '[N-]=[N+]=Nc1ccc(-c2c[nH]c(COc3ccccc3)n2)cc1', 'CCOC(=O)CC(NC(=O)C(CC)c1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1', 'CCCn1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccccc3c2c1CCCCOC(C)=O'] | 0 | Its SMILES notation is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3c(F)cc(N4CCNCC4)cc3OC)nc21. | ChemQA/retro_39652 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCn1c(N)c(N)c(=O)n(CCC)c1=O.O=C(NC1(C(=O)O)CCCC1)C(F)(F)F', 'Clc1ccc(C2=NNCC2c2ccccc2)cc1.O=C=Nc1ccc(OC(F)(F)C(F)F)cc1', 'C=CCCC(CCOc1ccc(F)cc1)(C(=O)OCC)C(=O)OCC', 'CCOC(=O)Cc1cc2c([N+](=O)[O-])cccc2cn1'] | 2 | Its SMILES notation is C=CCCC(CCOc1ccc(F)cc1)C(=O)OCC. | ChemQA/retro_39653 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.c1ccc(COCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1', 'CC(=O)Nc1nc2ccc(-c3cccc(N)c3)cc2s1.COc1ccc(S(=O)(=O)Cl)cc1', 'O=Cc1ccc2c3c1ccn3C(=O)CNC2', 'CC(C)(C)OC(=O)N1C[C@H](OCOCc2ccccc2)CC[C@@H]1C=O.O=[N+]([O-])CCc1cc(F)cc(F)c1'] | 0 | Its SMILES notation is C(=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)\CCOCc1ccccc1. | ChemQA/retro_39654 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCO.CNC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)Cl)c1I', 'CC(C)(C)OC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)c2ccccc21', 'CC(C)(C)CN.CC(C)(C)Nc1cc(Cl)nc(Cl)n1', 'C=CC(=O)N(C)Cc1cn(Cc2ccccc2)c2ccccc12.O=C1CCc2cc(Br)cnc2N1'] | 1 | Its SMILES notation is CC(C)(C)OC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(O)c2ccccc21. | ChemQA/retro_39655 |
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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](Cc1ccccc1O)Oc1ncnc2sc(I)c(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3C)c12.OCc1ccnn1CC(F)(F)F', 'CC1(C2CN(Cc3ccccc3)C(=O)CO2)OCCO1', 'C1=COCCC1.O=Cc1cccc(O)c1', 'CCCCCCCCOC(=O)N1C[C@H](OC(=O)N(C)C)C[C@H]1CCCl.COc1ccc(CCc2ccccc2)c(O)c1'] | 2 | Its SMILES notation is O=Cc1cccc(OC2CCCCO2)c1. | ChemQA/retro_39656 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Clc1ccn2c(Br)cnc2c1.OB(O)c1ccnc(Cl)c1', 'COc1ccccc1N.O=S(=O)(Cl)c1ccc(F)cc1', 'CC[C@H]1C(=O)N(CC)c2cc(F)ccc2N1S(=O)(=O)c1ccc(OC)cc1', 'CCOC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O.ICCCCI'] | 0 | Its SMILES notation is Clc1ccn2c(-c3ccnc(Cl)c3)cnc2c1. | ChemQA/retro_39657 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)C(=O)Nc1nc(O)c2c(C#C[Si](C)(C)C)c[nH]c2n1', 'Clc1cc(Cl)ncn1.NCc1ccc2[nH]c(C(F)(F)F)cc2c1', 'CN.COC(=O)c1nc(C)c(-c2ccncc2)s1', 'COc1ccnc(CCl)c1C.Fc1cc2nc(S)[nH]c2cc1F'] | 1 | Its SMILES notation is FC(F)(F)c1cc2cc(CNc3cc(Cl)ncn3)ccc2[nH]1. | ChemQA/retro_39658 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C(O)C2(C)CC2)c1', 'CCc1ccc(-c2nc3ccccc3o2)c(F)c1.O=C1CCC(=O)N1Br', 'CC(C)N=C=O.CCOC(=O)c1ccc(OCCC2CCNCC2)cc1', 'COC(=O)C1(N)CCCCC1.O=C(O)c1ccoc1'] | 2 | Its SMILES notation is CCOC(=O)c1ccc(OCCC2CCN(C(=O)NC(C)C)CC2)cc1. | ChemQA/retro_39659 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1COCCN1.CC(C)(C)OC(=O)N1CCC(n2cnc3c(Cl)nc(Cl)nc32)CC1', 'C=CCCBr.Oc1ccc(O)cc1', 'COC(=O)c1cc(F)c2cncn2c1Nc1ccc(Br)cc1F.C[C@H](O)CON', 'CC(=O)OCC(=O)Cl.Cc1c(N)ccc(C#N)c1C(F)(F)F'] | 2 | Its SMILES notation is C[C@H](O)CONC(=O)c1cc(F)c2cncn2c1Nc1ccc(Br)cc1F. | ChemQA/retro_39660 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['FC(F)(F)COCCOc1ccc(OC2CCNCC2)cc1.O=C(CCl)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1', 'CCCC(=O)Nc1cccc(N)c1.O=C(O)c1ccccc1Br', 'CCOC(=O)CBr.COC(CNS(=O)(=O)c1ccc2cc(Cl)ccc2c1)OC', 'CC1(C)OB(c2ccc(NC(=O)Nc3ccncc3)cc2)OC1(C)C.C[C@H]1COCCN1c1ccnc(Cl)n1'] | 3 | Its SMILES notation is C[C@H]1COCCN1c1ccnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)n1. | ChemQA/retro_39661 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCN1CCc2[nH]c3ccc(C)cc3c2C1.ClCc1ccccc1', 'Brc1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1.O=Cc1ccc(B(O)O)cc1', 'CCOC(=O)CCc1nccn1-c1ccc(F)cc1[N+](=O)[O-]', 'COC(=O)C(NC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)c1cccs1'] | 1 | Its SMILES notation is O=Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1. | ChemQA/retro_39662 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNc1nc(N[C@H]2CC[C@H](C(=O)O)CC2)nc(N2CCN(C)CC2)n1.NCc1ccccc1C(F)(F)F', 'COC(=O)[C@H]1CCN(C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)C1', 'CC(C)(C)OC(=O)N1CCN2C(=O)c3c(cc(Nc4ccccc4)cc3C(F)(F)F)[C@@H]2C1', 'COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(Br)c2)cc1OC.OB(O)c1cncnc1'] | 3 | Its SMILES notation is COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3cncnc3)c2)cc1OC. | ChemQA/retro_39663 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(COc2ccc(-c3nnc([C@H](Nc4ccc(C#N)c(Cl)c4C)[C@H](C)O[Si](C)(C)C(C)(C)C)o3)cc2)cc1', 'COc1ccc(N(c2cc3c(c(C(C)(C)C)c2C)OCC3(C)C)C(C)C)cc1', 'CC(C)(Br)C(=O)Cl.Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(N)c2c1', 'Nc1ccncc1.O=C(NC1CCOc2cc(C(=O)O)ccc21)OCc1ccccc1'] | 2 | Its SMILES notation is Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NC(=O)C(C)(C)Br)c2c1. | ChemQA/retro_39664 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)Cc1ccc(N)cc1.O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1', 'Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CCl)o2)cc1.[N-]=[N+]=[N-]', 'Cc1n[nH]c(C)c1S(=O)(=O)Cl.Fc1cc(Cl)ccc1OC1CCNCC1', 'COC(=O)C1CC(O)CN1.ClCc1ccc(Cl)c(Cl)c1'] | 3 | Its SMILES notation is COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)c(Cl)c1. | ChemQA/retro_39665 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNc1ncnc2ccc(C=O)cc12.O=C1CSC(=O)N1', 'CCOC(=O)c1cc(CN(C(C)C)C2CC2)c2c(c1)C(C)(C)CC(C)(C)O2', 'COc1ccc2ncc(F)c(CC(O)C34CCC(N)(CC3)CO4)c2n1.O=Cc1ccc2c(n1)NC(=O)CS2', 'CC(=O)c1cnc2c(c1)c(O)c(-c1ccccc1)c(=O)n2OCc1ccccc1.NCc1cccc(Cl)c1'] | 0 | Its SMILES notation is CNc1ncnc2ccc(C=C3SC(=O)NC3=O)cc12. | ChemQA/retro_39666 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCCOCCCCCCCCC#CCCCC(=O)OC', 'COC(=O)N[C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1', 'Brc1nn2ccnc2s1.Nc1ccc(F)cc1', 'C[C@]12CC[C@@H]3c4ccc(C(=O)O)cc4CC[C@H]3[C@@H]1C/C(=C\\c1cccc(C(N)=O)c1)C2=O'] | 3 | Its SMILES notation is C[C@]12CC[C@@H]3c4ccc(C(=O)O)cc4CC[C@H]3[C@@H]1C/C(=C\c1cccc(C(N)=O)c1)[C@@H]2O. | ChemQA/retro_39667 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C1NC(=O)c2ccccc21.OCCCCC1COC(c2ccccc2)O1', 'CC(C)CCNc1c(F)c(NCCN2CCCC2)nc(N2CCNCC2)c1F.Clc1ncnc2[nH]nc(Br)c12', 'COC(=O)c1ccc(COc2ccc3c(c2)CCN(C2CCN(C4CCC4)CC2)C3=O)cc1', 'COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](N=[N+]=[N-])C[C@@H]12'] | 0 | Its SMILES notation is O=C1c2ccccc2C(=O)N1CCCCC1COC(c2ccccc2)O1. | ChemQA/retro_39668 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC[C@@H](NC(N)=O)c1ccccc1.FC(F)(F)c1n[nH]c2cc(Cl)ncc12', 'Cc1cc(=O)n(C)c2cc(O)ccc12.O=C(NC1CCN(CCCCl)CC1)c1ccccc1', 'CCOC(=O)[C@H]1O[C@@H]1C(=O)O.CO[C@H](c1ccccc1)[C@@H](N)CC(C)C', 'N[C@@H]1C[C@H]1c1ccc(OCc2cccc(Br)c2)cc1.O=CCC1CCCCC1'] | 1 | Its SMILES notation is Cc1cc(=O)n(C)c2cc(OCCCN3CCC(NC(=O)c4ccccc4)CC3)ccc12. | ChemQA/retro_39669 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1', 'CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5nc(C(F)F)[nH]c54)c3=O)cc2)CCC1', 'Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12.Nc1ccc(CO)cc1', 'CC1(C)OB(c2cc(F)c(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)OC1(C)C.CCC[C@H]1CC[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)OC1'] | 1 | Its SMILES notation is NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5nc(C(F)F)[nH]c54)c3=O)cc2)CCC1. | ChemQA/retro_39670 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(C(=O)CC(=O)C(C)(F)F)cc2c1OCC(=O)N2.Cc1cc(F)ccc1NN', 'FC(F)(F)c1cccc(C2=CCNCC2)c1.N#CCCl', 'C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]2(C)[C@H]1O', 'N#C[C@@H]1C[C@H](F)CN1C(=O)CNC12CCC(C(=O)O)(CC1)CC2.Nc1ccc(C=Cc2ccccc2)cc1'] | 0 | Its SMILES notation is Cc1cc(F)ccc1-n1nc(C(C)(F)F)cc1-c1cc(C)c2c(c1)NC(=O)CO2. | ChemQA/retro_39671 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)NCCOC(c1ccc(F)cc1)c1ccccc1Cl', 'CS(=O)(=O)Cl.NC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1', 'CC(=O)OC(C)=O.CC(=O)c1ccc(N)c2c1OCCO2', 'CC(=O)c1cnc2ccc(Cl)nc2c1NC1CCC(CN2CC[C@@H](F)C2)CC1.CC1(C)OB(c2cc(Cl)c(O)c(Cl)c2)OC1(C)C'] | 1 | Its SMILES notation is CS(=O)(=O)NC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1. | ChemQA/retro_39672 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCCCOc1ccc(Cc2nc3cc(CNCC(=O)OC(C)(C)C)ccc3[nH]2)cc1.COc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1', 'COc1ccc(B(O)O)cc1.Cc1oc(-c2ccc(Br)cc2)nc1CCN1CCC[C@H]1C', 'COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1', 'CNC.COC(=O)c1ccc(CBr)cc1'] | 2 | Its SMILES notation is O=C(Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)Nc1ccccc1C(=O)O. | ChemQA/retro_39673 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1O.NC[C@H](O)C(=O)O', 'Brc1ccccc1.C1CNCCN1', 'COC(=O)c1cc(OCCC2(CCO)CCCCC2)cc(C(=O)OC)c1', 'C[C@H](N)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1.N#CCC(=O)c1cc(F)cc(F)c1'] | 2 | Its SMILES notation is COC(=O)c1cc(OCCC2(CC=O)CCCCC2)cc(C(=O)OC)c1. | ChemQA/retro_39674 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)NS(=O)(=O)c1ccc(Cl)s1.CNc1cc2c(cc1Cl)C(=O)N(c1ccc(N)cc1)CO2', 'O=C(OC1C(F)CC2CN(C(=O)OCc3ccccc3)CC21)c1ccccc1', 'C=CCC(F)(F)C(=O)O.N[C@@H](CO)c1ccccc1', 'CCI.O=c1[nH]ccc2c(Br)cccc12'] | 3 | Its SMILES notation is CCn1ccc2c(Br)cccc2c1=O. | ChemQA/retro_39675 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](N)Cc3cc(F)cc(F)c3)c21.O=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2', 'CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCN2CCCCC2=O)c1=O.C[C@H](N)CO', 'COC(=O)COc1cc(C)cc2nc(Cl)c(Cc3ccc(Cl)cc3)c(C)c12', 'BrCc1ccsn1.NCCN'] | 0 | Its SMILES notation is Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(C#CC(C)(C)O)nc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c21. | ChemQA/retro_39676 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCI.Oc1ccc2sc(Cc3cc(Br)ccc3Cl)cc2c1', 'CC(C)NC1CCCCC1.O=C(Cl)c1ccc(Br)c(Cl)c1', 'C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cc2ncsc12)[C@H]1CNC(=O)C1.O=C1CCOCC1', 'COc1c(C)nn(C)c(=O)c1-n1nc(-c2ccc(C(F)(F)F)cc2)cc1C'] | 2 | Its SMILES notation is C[C@@H](Oc1cc(-c2ccc(N3CCN(C4CCOCC4)CC3)cn2)cc2ncsc12)[C@H]1CNC(=O)C1. | ChemQA/retro_39677 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(CCCCCl)cc1.c1c[nH]nn1', 'CC(=O)OC[C@H]1O[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.COC(=O)c1ncc(Br)cn1', 'CCOC(=O)/C=C/c1cncc(Cl)c1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(Cl)cc1O'] | 0 | Its SMILES notation is COc1ccc(CCCCn2ccnn2)cc1. | ChemQA/retro_39678 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(C(=O)O)cc1/C=C/c1ccc(OC(F)(F)F)cc1.NCCO', 'CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(B2OC(C)(C)C(C)(C)O2)cn1.FC(F)c1nnc(-c2cncc(Br)c2)[nH]1', 'CO[C@H]1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cncn23)C1', 'CC1(C)OB(c2cc(F)c(O)c(Cl)c2)OC1(C)C.CCC(=O)c1cnc2ccc(Br)cc2c1N[C@H]1CC[C@H](CN(C)C)CC1'] | 1 | Its SMILES notation is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(C(F)F)[nH]3)c2)cn1. | ChemQA/retro_39679 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(C(=O)CBr)cc1.Sc1ccccc1', 'CC1(C)OB(c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)OC1(C)C.Cc1ncccc1Br', 'Cc1ncc[nH]1.O=C(Cl)c1ccccc1', 'COC(=O)[C@@H](NC(=O)c1ccc(-c2cccs2)cc1NC(=O)Nc1c(C)cccc1C)C1CCCCC1'] | 1 | Its SMILES notation is Cc1ncccc1-c1ccc2c(N)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1. | ChemQA/retro_39680 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=Cc1cc(Cl)cc(N)c1C(=O)OC', 'CC(C)c1nnc(Cl)n(C)c1=O.CNC', 'CC(C)(CCn1cnc(-c2ccccc2)c1)NC[C@H](O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)c2ccccc2)c1', 'C#C[C@]1(O)CCN(C)C1=O.CNC(=O)c1c(C(N)=O)nn2c1CCOc1ccc(Br)cc1-2'] | 1 | Its SMILES notation is CC(C)c1nnc(N(C)C)n(C)c1=O. | ChemQA/retro_39681 |
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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(N)=O.O=S(=O)(NCCCN1c2ccccc2CCc2ccc(Cl)cc21)c1ccc(C(F)(F)F)cc1', 'ClCc1ccc2ccccc2n1.O=Cc1ccc(O)cc1', 'CCOC(COc1ccc(CCO)cc1)OCC', 'COC(=O)c1cc(Br)n(C(C)C)c1.COc1ncc(B(O)O)c(OC)n1'] | 3 | Its SMILES notation is COC(=O)c1cc(-c2cnc(OC)nc2OC)n(C(C)C)c1. | ChemQA/retro_39682 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CP(=O)(OCC)OCC.Cc1nn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(C)c1C=O', 'CC(=O)NC1(c2ccccc2)CCNCC1.CS(=O)(=O)OCCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1', 'COCC(=O)Cl.Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1', 'C=CCOC1(C)CCNCC1.CCOC(=O)c1cc2nc(C)c([C@H](OC(C)(C)C)C(=O)OCC)c(Cl)n2n1'] | 1 | Its SMILES notation is CC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O2)CC1. | ChemQA/retro_39683 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(Cl)nc(Cl)n1.Oc1ccc(F)cc1', 'CCN(C)c1cc(N[C@H]2CC[C@@H](NCc3ccccc3)CC2)ncc1C', 'CCOC(=O)/C(=C/CC1CCCC1)c1ccc(S(C)(=O)=O)s1', 'CCCCC(=N)NC(=O)Nc1ccc([N+](=O)[O-])cc1'] | 2 | Its SMILES notation is CS(=O)(=O)c1ccc(/C(=C\CC2CCCC2)CO)s1. | ChemQA/retro_39684 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cn1ncc(Cl)c1-c1ncc(C(=O)O)o1.N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O', 'Nc1ncc(Cl)s1.O=C(O)C(CC1CCCCCC1)N1Cc2ccccc2C1=O', 'Cc1cc(Nc2cc3c(C)cccc3c(Cl)n2)n[nH]1.Oc1ccccc1', 'COC(=O)c1cc(Cl)nc(Cl)c1.C[S-]'] | 1 | Its SMILES notation is O=C(Nc1ncc(Cl)s1)C(CC1CCCCCC1)N1Cc2ccccc2C1=O. | ChemQA/retro_39685 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCNCC1CC1.N#Cc1ccc(F)cc1C(F)(F)F', 'CC(C)(C)OC(=O)N1CCC(N)CC1.Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(Cl)ncc2Cl)c1', 'Brc1ccccc1.Nc1ncc([N+](=O)[O-])cn1', 'NCCCCCn1ccnc1.O=CCCc1ccccc1'] | 3 | Its SMILES notation is c1ccc(CCCNCCCCCn2ccnc2)cc1. | ChemQA/retro_39686 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)Cl.CN1CCC(c2c[nH]c3ccc(N)cc23)CC1', 'CCOC(=O)c1cccc([C@@H](CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)N(C)C(=O)OCc2ccccc2)c1.NN', 'Cc1sc2nc([S-])n(N)c(=O)c2c1C.ClCCCN1CCN(c2ccc3ccccc3n2)CC1', 'C#CCNc1ccc(C(C)=O)cc1.CC(C)(C)C(=O)OCn1cnc2ccc(CBr)cc2c1=O'] | 3 | Its SMILES notation is C#CCN(Cc1ccc2ncn(COC(=O)C(C)(C)C)c(=O)c2c1)c1ccc(C(C)=O)cc1. | ChemQA/retro_39687 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CC1(O)CCc2c(F)cc(F)cc21', 'CC(C)(C)[Si](C)(C)OC1CN(c2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)C1', 'COc1c(C(C)=O)cc(Cl)c(C)c1Br.O=C1CCC(=O)N1Br', 'CNC.O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(Cl)nc1'] | 3 | Its SMILES notation is CN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1. | ChemQA/retro_39688 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)CC(N)C(N)=O.CCCC(CCC)C(=O)Cl', 'C=O.COc1cc(F)cc2nc(-c3ccc(OC4CNC4)c(-c4ccc(S(C)=O)cc4)c3)[nH]c(=O)c12', 'COc1ccc2c(c1)CCn1c-2cc(Cl)nc1=O.Nc1ccc2[nH]ncc2c1', 'Cc1c(OCCCNS(C)(=O)=O)cn2ncnc(O)c12.Cc1cc2c(F)c(O)ccc2[nH]1'] | 3 | Its SMILES notation is Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1. | ChemQA/retro_39689 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCN.O=C(O)c1ccc(Cl)nc1', 'CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(Cl)c2ccccc2c1OCc1cnc(C(F)(F)F)nc1', 'OC[C@H]1CNC[C@@H](OCc2ccccc2)[C@@H]1O', 'COc1cc2c(cc1N)-c1c(-c3cccs3)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3.O=C(Cl)CCl'] | 0 | Its SMILES notation is CCNc1ccc(C(=O)O)cn1. | ChemQA/retro_39690 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCOc1cc2c(cc1OCc1cccc(C(=O)OC)c1)C(=O)CC2', 'CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCNC3)n(C)c2n1.CS(=O)(=O)Cl', 'Cc1ccc(S(=O)(=O)Cl)cc1.Nc1ccc(C2SC(=O)NC2=O)cc1', 'Cn1ccc2ncnc(Cl)c21.Nc1ccc(Oc2cccc3[nH]ncc23)c(Cl)c1'] | 1 | Its SMILES notation is CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCN(S(C)(=O)=O)C3)n(C)c2n1. | ChemQA/retro_39691 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCCBr.CCCCCCCCOc1ccc(-c2cnc(-c3ccc(O)c(F)c3F)nc2)cn1', 'O=C1CC2CC(c3cccc(Br)c3)CC(C1)N2.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1', 'Cn1ncc(N=O)c1N', 'C#C.CCCCC(C)(C)C=O'] | 0 | Its SMILES notation is CCCCCCCCOc1ccc(-c2cnc(-c3ccc(OCCCCCC)c(F)c3F)nc2)cn1. | ChemQA/retro_39692 |