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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C#CCBr.CCOc1nc(C(F)(F)F)cc(=O)n1-c1cc(O)c(Cl)cc1F', 'Brc1ccc(Br)nc1.OCC(F)(F)F', 'COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(O)c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1', 'CC(C)(C)[Si](C)(C)OCCBr.CCc1ccc(O)c(C=O)c1'] | 2 | Its SMILES notation is COCCCc1cc(CN(C(=O)C2CNCCC2(O)c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1. | ChemQA/retro_39293 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccc(I)cc1.c1ccc2c(c1)[nH]c1ccccc12', 'CCOC(=O)C(C)C(=O)C(F)(F)F.NO', 'Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)c1.O=C(O)c1ccc2ccccc2n1', 'CC(=O)Cl.Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](N)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2'] | 1 | Its SMILES notation is CC(C(=O)NO)C(=O)C(F)(F)F. | ChemQA/retro_39294 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)CC1c2cccc(F)c2N=C(c2ccc(-c3ccc(F)cc3)cc2)N1c1cc(C(F)(F)F)ccc1OC', 'COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCBr)C1c1cccc([N+](=O)[O-])c1.c1ccc(C2(c3ccccc3)CCNCC2)cc1', 'COC(=O)c1ccc(N)cc1O.O=S(=O)(Cl)c1cc(F)c(Br)cc1F', 'CC1=CCC(C=O)(C2C3CCC(C3)C2(C)C)CC1'] | 1 | Its SMILES notation is COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1. | ChemQA/retro_39295 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)OCC(=O)Cc1ccc(Cl)c(Cl)c1.O=C(CCl)Cc1csc2ccccc12', 'COC(=O)c1ccc(CBr)cc1.c1ccc2[nH]cnc2c1', 'O=C=Nc1ccccc1Cl.Oc1ccc2c(c1)CCCN2Cc1ccccc1', 'C=CCSc1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNC2(c3cccc(CC)c3)CC2)c1.CC(=O)O'] | 0 | Its SMILES notation is CC(=O)OCC(=O)Cc1csc2ccccc12. | ChemQA/retro_39296 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccc(O)cc2)c(-c2ccccc2)n1-c1ccccc1.N#CCCl', 'CCNCC.N#Cc1ccc(F)cc1C(F)(F)F', 'COC(=O)c1cc(N)cc(-n2cccc2)c1.O=C(Br)CBr', 'CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1.CCOC(=O)c1cnc(Cl)o1'] | 3 | Its SMILES notation is CCOC(=O)c1cnc(Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)o1. | ChemQA/retro_39297 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(C(=O)NNC(=O)C(C)(C)OC(C)=O)c2)cn1', 'CC(C)(C)OC(=O)NCCN1Cc2cc(Br)ccc2C1=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C', 'OC1(CNCCOc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc2)CC1.OCCCBr', 'COc1ccc2ncc(=O)n(CC=O)c2c1.NC[C@H]1CC(=O)N(c2ccc3c(c2)NC(=O)CO3)C1'] | 0 | Its SMILES notation is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(C(C)(C)OC(C)=O)o3)c2)cn1. | ChemQA/retro_39298 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCCCCCCCC(=O)Cl.C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21', 'COC(=O)Cc1ccc(OCC(C)=O)c(O)c1.NCC(O)c1cccc(Cl)c1', 'CCOC(=O)N1CCn2c(nc(-c3ccncc3)cc2=O)C(N)C1.COc1ccc(C(=O)O)c(OC)c1', 'CC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)C2.CN1C2CCC1CC(N)C2'] | 0 | Its SMILES notation is CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C. | ChemQA/retro_39299 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1c(OC(=O)C(C)(C)C)cn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c12', 'CCCCCCCC/C=C\\CCCCCCCC(=O)Cl.NCCCSc1ccncc1', 'CC1(C)CNc2cc([N+](=O)[O-])ccc2O1.[O-][n+]1ccccc1Br', 'C=CC(C)O.O=Cc1cccc(O)c1'] | 3 | Its SMILES notation is C=CC(C)Oc1cccc(C=O)c1. | ChemQA/retro_39300 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN[C@@H](C)COc1cccc2ncnc(Nc3ccc(O)c(Cl)c3)c12.COCC(=O)O', 'Cc1ccc(S(=O)(=O)n2c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc3c(F)ccc(C#N)c32)cc1', 'COc1cccc(-c2ccc(C(=O)N(C)Cc3ccccc3)s2)c1', 'COC(=O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1'] | 2 | Its SMILES notation is CN(Cc1ccccc1)C(=O)c1ccc(-c2cccc(O)c2)s1. | ChemQA/retro_39301 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C1=Cc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2CCC1', 'BrCC1CC1.COC(=O)c1ccc(O)c(OC)c1', 'COC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2c1OC(C)(C)C2.Nc1cc(F)c(F)cc1F', 'CCOC(CN)OCC.S=C=Nc1ccccn1'] | 0 | Its SMILES notation is O=C(O)C1=Cc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2CCC1. | ChemQA/retro_39302 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Clc1ccc(CBr)cc1.O=Cc1cccc2[nH]ccc12', 'COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1sc(C(=O)NCc2ccc(F)c(O)c2)cc1C', 'Cc1n[nH]c(N)c1-c1nc2ccc(CBr)cc2s1.NCCO', 'CC1CN(C(=O)OC(C)(C)C)CCN1.Cc1ccc2c(OS(=O)(=O)C(F)(F)F)cccc2n1'] | 3 | Its SMILES notation is Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3C)cccc2n1. | ChemQA/retro_39303 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['NS(=O)(=O)Cl.O=C(O[C@H]1C[C@H](c2ccc3c(N[C@H]4CCc5ccccc54)ncnn23)CC1CO)c1ccccc1', 'CCCCCCCCC(CCCCCC)Cc1ccsc1Br.CN(C)C=O', 'CI.O=S1(=O)NCc2cccc(Cl)c21', 'COc1ccc(F)cc1C(C)(C)C[C@@](O)(C(=O)O)C(F)(F)F'] | 3 | Its SMILES notation is COc1ccc(F)cc1C(C)(C)C[C@@](O)(CO)C(F)(F)F. | ChemQA/retro_39304 |
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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)c1ccccn1.Cc1c(Cl)nc2c(Cl)c(F)cc(F)c2c1Cl', 'CCOC(=O)C=C(c1cccnc1)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(C)cc1)C2', 'CI.O=S(=O)(c1cccc(C2CCNCC2)c1F)C(F)(F)F', 'Nc1nccs1.O=S(c1ccc(F)cc1)c1cc2ccccc2c(Br)n1'] | 2 | Its SMILES notation is CN1CCC(c2cccc(S(=O)(=O)C(F)(F)F)c2F)CC1. | ChemQA/retro_39305 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cccc(OC)c1OC', 'CC(C)c1ccc2c(c1)nc(Cl)n[n+]2[O-].CCCN(CCC)CCN', 'COC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(Cl)nc(C)nc12.Cc1ccc(OCC2CC2)c(B2OC(C)(C)C(C)(C)O2)c1', 'CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)OC)n1Cc1c(F)cccc1Cl'] | 3 | Its SMILES notation is CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1c(F)cccc1Cl. | ChemQA/retro_39306 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1n[nH]cc1[N+](=O)[O-].COc1ccc(CCl)cc1', 'Cc1nn(C)c(C)c1S(=O)(=O)Cl.Fc1cc(Cl)ccc1OC1CCNCC1', 'COc1cc2c(Oc3ccc(N)cc3)ccnc2cc1C#N.O=C=Nc1ccc(F)cc1', 'BrCCCOc1cccc2c1CCCC2.CCCc1c(O)c(C(C)=O)cc2c1OC(CCC(=O)OCC)(CCC(=O)OCC)CC2'] | 2 | Its SMILES notation is COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ccnc2cc1C#N. | ChemQA/retro_39307 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCOC(=O)C=C(CN[C@@H](CC(C)(F)F)C(=O)OC)Oc1ccccc1Cl', 'COC(=O)c1nccn(Cc2ccccc2)c1=O', 'C=CC(=O)OCCCC.C=CC=COC(C)=O', 'CO.O=C(O)c1ccc(O)c(O)c1'] | 1 | Its SMILES notation is O=C(O)c1nccn(Cc2ccccc2)c1=O. | ChemQA/retro_39308 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCN(CC)CCN1CCc2[nH]c(C=O)c(C)c2C1=O.O=CNc1cc(F)cc2c1NC(=O)C2', 'CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O.NCCS(=O)(=O)O', 'CCOC(=O)c1cc2c(nc(C)n2C)c2c1C(=O)CC1(Cc3ccccc3C1)N2', 'COC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3cccnc3)n12'] | 0 | Its SMILES notation is CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4c(NC=O)cc(F)cc43)c(C)c2C1=O. | ChemQA/retro_39309 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)CCSC(CCCc1ccccc1)c1ccc(OCCCOc2ccc(C(=O)C(F)(F)F)cc2)cc1', 'CCCN.Cc1cc(C(=N)NO)nc(Cl)n1', 'CCN.O=C(O)CCc1ccc(F)cc1C[C@H]1[C@@H]2CCC(O2)[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1', 'O=C(O)c1ccccc1O.OCC(Cl)(Cl)Cl'] | 1 | Its SMILES notation is CCCNc1nc(C)cc(C(=N)NO)n1. | ChemQA/retro_39310 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)C1(C)CCC(OC)(OC)CC1', 'CC(C)(C)OC(=O)N1CCNCC1.ClC[C@H]1CO1', 'CCc1nnc2c(OC)nc3cc(F)ccc3n12', 'COC(=O)Cc1nn(Cc2ccc(N)cc2)c2ncccc12.O=C(Cl)c1ccc2ccccc2c1'] | 2 | Its SMILES notation is CCc1nnc2c(O)nc3cc(F)ccc3n12. | ChemQA/retro_39311 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)Cl.OCC1CN(Cc2ccccc2)CC1O', 'CC1CCN2C(=N1)C1(OCCCO1)c1cc(S(=O)(=O)N3CCCC3)ccc12', 'CCCC(=O)Nc1cccc(C2CCN(CCCN)CC2)c1.O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1', 'C1CCNCC1.COc1cc([N+](=O)[O-])ccc1Br'] | 1 | Its SMILES notation is CC1CCN2C(=N1)C(=O)c1cc(S(=O)(=O)N3CCCC3)ccc12. | ChemQA/retro_39312 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)CCNC(=O)c1cn2nc(Cl)ccc2n1.NCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1', 'CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)Cl)c2)c1O.CN1CCCC1=O', 'CCOC(=O)c1ccc(Br)cc1.Cc1cccc(B(O)O)c1', 'Cc1cccc([C@@H]2CNC(=O)N2C2CCN(Cc3ccc(Oc4ccc(OCC(=O)OC(C)(C)C)cc4)nc3C)CC2)c1'] | 0 | Its SMILES notation is CCOC(=O)CCNC(=O)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1. | ChemQA/retro_39313 |
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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)N1CCNCC1.Cc1cc(-c2cc(COS(C)(=O)=O)c(=O)n(CC(C)C)n2)ccc1F', 'CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C.Clc1cc(Cl)cc(-c2ncc[nH]2)c1', 'CCc1ccc(C(=O)O)cc1.N[C@H]1CC[C@H](CCN2CCCCC2c2coc3cccc-3c2)CC1', 'CC(=O)Cl.COC(=O)[C@H](Cc1ccc(O)cc1)n1cccc1'] | 1 | Its SMILES notation is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3cc(Cl)cc(Cl)c3)nc2N1C(C)C. | ChemQA/retro_39314 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCNCC.COc1ccccc1-c1n[nH]c2ncc(-c3ccc(N)c(C(=O)O)c3)cc12', 'Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c(NCC2(O)CCCCC2)c1C', 'CCN(C/C=C/C#C[Si](C)(C)C)CCOCCOc1cccc(-c2ccsc2)c1', 'CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCNCC3)noc12.Cn1c(C#N)ccc1C=O'] | 1 | Its SMILES notation is Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c(N)c(NCC2(O)CCCCC2)c1C. | ChemQA/retro_39315 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)OC(C)=O.Nc1ccc(/C=C/c2n[nH]c3ccccc23)cc1', 'CC(=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1.NNC(=O)Nc1ccc(Cl)cc1', 'CCOC(=O)c1ccc(Nc2nc(Br)cn(C)c2=O)cc1.Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1', 'CCOC(=O)C(C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1'] | 0 | Its SMILES notation is CC(=O)Nc1ccc(/C=C/c2n[nH]c3ccccc23)cc1. | ChemQA/retro_39316 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)I.NC1CCCCC1O', 'CNCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F.Oc1ccc2c(c1)CCCC(c1ccc(F)c(F)c1)=C2CCCCCCBr', 'COC(=O)C(C)(C)Cn1c(=O)n(Cc2csc3cccc(C)c23)c2ccccc21', 'CO[C@H]1CN(CCOS(C)(=O)=O)CC[C@H]1NC(=O)OC(C)(C)C.N#Cc1ccc2ccc(=O)[nH]c2c1'] | 3 | Its SMILES notation is CO[C@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@H]1NC(=O)OC(C)(C)C. | ChemQA/retro_39317 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1ccc(-c2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1', 'NC1(Cl)N=C(Cc2ccccc2)C([N+](=O)[O-])=CN1.c1nnn[nH]1', 'FC1(F)CNC1.O=C(O)c1ccc(Br)cc1F', 'C[C@@H](n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)[C@](O)(COS(C)(=O)=O)c1ccccc1F.c1nc[nH]n1'] | 0 | Its SMILES notation is Cc1cc(C(=O)O)ccc1-c1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1. | ChemQA/retro_39318 |
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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)OCCl.CN(C)[C@@H]1CCN(c2cc(O)c3c(=O)[nH]cnc3c2)C1', 'CCOC(=O)CC1CCC2(CC1)CCN(CCC1CCNCC1)CC2', 'Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.O=S(=O)(Cl)c1ccccc1', 'Cc1c(Sc2cccc(/C=C/C(=O)O)c2)c2ccc(Cl)cc2n1Cc1ccccc1'] | 0 | Its SMILES notation is CN(C)[C@@H]1CCN(c2cc(O)c3c(=O)n(COC(=O)C(C)(C)C)cnc3c2)C1. | ChemQA/retro_39319 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCCBr.CCOP(OCC)OCC', 'CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCc2ccccc2C1', 'COc1cccc(C=O)c1.NNc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1', 'CN1C(=O)c2[nH]c3cc(Cl)ccc3c2Oc2ccccc21.ClCCN1CCCCC1'] | 1 | Its SMILES notation is CC(C)(N)C(=O)N1CCc2ccccc2C1. | ChemQA/retro_39320 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CNC(C)CCc1cc(OC)ccc1I.COc1ccc(CC(=O)Cl)cc1OC', 'CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Br)c2)C(COc2cccnc2)C1', 'CC1CC(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CCN1C(=O)OC(C)(C)C', 'CC(F)(F)c1ccc(C(=O)OCc2ccccc2)cn1'] | 0 | Its SMILES notation is COc1ccc(I)c(CCC(C)N(C)C(=O)Cc2ccc(OC)c(OC)c2)c1. | ChemQA/retro_39321 |
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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(Cn2c(C(=O)O)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1.OCc1ccncc1', 'CC(C)N(CCO[Si](C)(C)C(C)(C)C)C(=O)c1nc(CC2(c3ccc(Cl)c(Cl)c3)CCCC2)nc(O)c1OCc1ccccc1', 'N#CC(CCC(=O)O)(c1ccccc1)c1ccccc1.c1ccc(OC2CCNCC2)cc1', 'COC(COc1ccc2c(c1)B(O)OC2)OC'] | 0 | Its SMILES notation is CS(=O)(=O)c1ccc(Cn2c(C(=O)OCc3ccncc3)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1. | ChemQA/retro_39322 |
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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[C@H](NC(=O)OCc1ccccc1)C12OCC(C)(CO1)CO2', 'CS(=O)(=O)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)c(F)c1', 'CN(Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1)C(=O)CBr.CS(=O)(=O)C1CCNC1', 'COc1cccc(C=CCC(=O)O)c1OC'] | 0 | Its SMILES notation is CC(C)(C)C[C@H](N)C12OCC(C)(CO1)CO2. | ChemQA/retro_39323 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CP(C)(=O)c1cccc([N+](=O)[O-])c1', 'CCOC(=O)c1cscn1.NCCO', 'CCNCCO.O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(Cl)no2)C1', 'O=C1Nc2sccc2Cn2cccc21'] | 1 | Its SMILES notation is O=C(NCCO)c1cscn1. | ChemQA/retro_39324 |
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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)NC(c1cccc(C(F)(F)F)c1)c1ncco1', 'O=C(Cl)Cl.O=C1CCNc2ccc(F)cc21', 'COc1ccc(O)c(F)c1F.O=C(O)c1cc(Br)ccc1Br', 'O=C(O)C1(O)C=CC(c2ccccc2)=CC1'] | 1 | Its SMILES notation is O=C1CCN(C(=O)Cl)c2ccc(F)cc21. | ChemQA/retro_39325 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C1CNCCN1.Clc1ccc2sc(Cl)nc2c1', 'Cc1ccc2c(Cl)ncnc2c1.O=C1CCC(=O)N1Br', 'COc1ccc(B(O)O)c(OC)c1.Nc1c(C(=O)NC2CC2)nnc2c(Br)cccc12', 'Cc1cc(C)c([Mg+])c(C)c1.N#Cc1cccc(-c2ccncc2C=O)c1'] | 0 | Its SMILES notation is Clc1ccc2sc(N3CCNCC3)nc2c1. | ChemQA/retro_39326 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC1(C)OC(N)=N[C@](C)(c2cc(N)ccc2F)C1(F)F.O=C(O)c1ncc(Cl)cc1Cl', 'CCOC(=O)Cl.Cc1cc(N)sn1', 'COC(=O)Cn1cc(/C=C2\\CN(C(C(=O)C3CC3)c3ccccc3F)CCC2S)nn1', 'CC(C)(NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1'] | 0 | Its SMILES notation is CC1(C)OC(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)C1(F)F. | ChemQA/retro_39327 |
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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)NC(=N)NC(=O)c1cc(-c2ccnc(Nc3ccncn3)c2)cnc1N', 'COC(=O)c1ccc(CBr)cc1.COc1cccc([C@@H](C)N)c1', 'CCc1cnc(-c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2NC)o1.NS(=O)(=O)c1ccc(Cl)s1', 'COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1'] | 1 | Its SMILES notation is COC(=O)c1ccc(CN[C@H](C)c2cccc(OC)c2)cc1. | ChemQA/retro_39328 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=[N+]([O-])c1ccc(F)cc1.OC[C@@H]1COCCN1', 'COC(=O)[C@@H]1C[C@H](N(CC(C)C)C(=O)c2cnc(C(C)(C)C)nc2NCc2ccco2)CN(C(=O)OC(C)(C)C)C1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.OC1CCNC1', 'CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc[n+]3[O-])cc2)CC1'] | 0 | Its SMILES notation is O=[N+]([O-])c1ccc(N2CCOC[C@H]2CO)cc1. | ChemQA/retro_39329 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)N=C=O.Nc1cccc(C2(F)CCN(CCOc3ccccc3)CC2)c1', 'N.O=[N+]([O-])c1ccc(Cl)cn1', 'CCOC(=O)c1cccc(-c2cccc3c(C)c(Cc4ccc(F)c(Cl)c4)sc23)c1', 'COc1cccc(N)c1.Cc1c[nH]c2ncnc(N3CCC(C)(C(=O)O)CC3)c12'] | 3 | Its SMILES notation is COc1cccc(NC(=O)C2(C)CCN(c3ncnc4[nH]cc(C)c34)CC2)c1. | ChemQA/retro_39330 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cccc(C(=O)O)c1.Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1', 'O=C(NCC(=O)N1CCCNCC1)OCc1ccccc1', 'C[C@@H](O)CN.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1O', 'O=C(O)c1ccc(B(O)O)c(F)c1.Oc1ccc2cc(Br)ccc2c1F'] | 1 | Its SMILES notation is O=C(NCCN1CCCNCC1)OCc1ccccc1. | ChemQA/retro_39331 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCCCc1nc2c(C)cc(NC(=O)N3CCOCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1', 'COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1NC(=O)Nc1c(C)cccc1C)C1CCCCC1', 'COCc1ccc(-c2nn[nH]n2)c(N)n1.ClCc1ccc(OCc2ccccc2)cc1', 'CCOC(=O)c1cccc2c1N1CN=C(C)C1=Cc1cncnc1-2'] | 2 | Its SMILES notation is COCc1ccc(-c2nnn(Cc3ccc(OCc4ccccc4)cc3)n2)c(N)n1. | ChemQA/retro_39332 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1cc2c(CC(=O)N3CCC(Cc4ccccc4)CC3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC', 'CCCC(C)=CCCBr', 'CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O', 'CC(C)(C)[C@H]1CC[C@H](Oc2cccc3cc(C=O)ccc23)CC1.CCOC(=O)C1CC(N)C1(C)C'] | 2 | Its SMILES notation is NC(=O)[C@H](N)Cc1c[nH]c2ccccc12. | ChemQA/retro_39333 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#CCc1ccc([N+](=O)[O-])c(Cl)c1Br', 'CS(=O)(=O)OCCOC(c1ccc(C#N)cc1)c1cnc[nH]1', 'CNC(=O)c1[nH]c2c(Br)cc3c(c2c1CCNC(=O)OC(C)(C)C)CCO3', 'C1CCNCC1.OCCCCl'] | 1 | Its SMILES notation is N#Cc1ccc(C2OCCn3cncc32)cc1. | ChemQA/retro_39334 |
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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.COC(=O)c1ccc(F)cc1Oc1cnc(Cl)c(F)c1', 'CC(C)(C)OC(=O)N[C@@H]1CCNC1.CCCCNc1cc(Br)ccn1', 'CC(C)Cc1ccc(-c2noc(-c3ccc(C=O)cc3)n2)cc1.CCOC(=O)[C@H]1C[C@@H](N)C1', 'CC(C)(C)C(=O)NCc1ccc(Cl)c(N=C=S)c1Cl.Nc1cc(OCC(F)F)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N'] | 0 | Its SMILES notation is COC(=O)c1ccc(F)cc1Oc1cnc(NC(=O)OC(C)(C)C)c(F)c1. | ChemQA/retro_39335 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)sc2n1.O=C(Cl)CCl', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)c1c(-c2cccc(C#N)c2)c(Cl)n2c1CNCC2', 'NCc1ccccn1.O=C(O)c1ccc(C(=O)C=C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1', 'COc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1.C[S-]'] | 0 | Its SMILES notation is CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)CCl)sc2n1. | ChemQA/retro_39336 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(=O)(=O)OCCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1.C[C@@H]1CCCN1', 'CCCn1ccc2c1CC(c1ccccc1)CC2=O.N=C(N)NN', 'C1COCCN1.Nc1cc(Cl)ccc1[N+](=O)[O-]', 'CC(C)Oc1ccc(-c2ccccc2C(=O)O)cc1.CCOC(=O)C(C(=O)OCC)c1ccc(N)c(C(=O)N(C)C)c1'] | 0 | Its SMILES notation is C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1. | ChemQA/retro_39337 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CS(C)=O.Clc1cncc(Cl)c1', 'Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1.O=C=Nc1cccc(C(F)(F)F)c1', 'CI.Cc1cc(C)nc(O[C@@H]2C(=O)N3CC(=O)Nc4ccccc4[C@@]23c2cccc(C(F)(F)F)c2)n1', 'NC(=O)c1cc(Cl)ccn1.OCc1cccc(O)c1'] | 0 | Its SMILES notation is CCOc1cncc(Cl)c1. | ChemQA/retro_39338 |
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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(Cc1csc2ccccc12)C(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C.CN(CC(=O)O)NC(=O)NCc1ccc(Cl)cc1', 'CCSCc1c(Cl)ccc(C(=O)OC)c1SC', 'CC(C)Oc1ccc(CCC2(C3CCCC3)CC(O)=C(Cl)C(=O)O2)cc1Cl.CC(C)n1c(S)nc2cc(Cl)ccc21', 'C[Si](C)(C)CCOCn1ccc(=O)c([N+](=O)[O-])c1NCC(F)(F)c1cccc[n+]1[O-]'] | 2 | Its SMILES notation is CC(C)Oc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4cc(Cl)ccc4n3C(C)C)C(=O)O2)cc1Cl. | ChemQA/retro_39339 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cc(CBr)oc1C(F)(F)F.O=C1Nc2ccccc2C12COc1cc3c(cc12)OCO3', 'Nc1c(NCCCCl)c(=O)c1=O.Oc1cccc(CN2CCCCC2)c1', 'CN(C)C=Nc1ccncc1O.O=C=Nc1ccccc1', 'COC(=O)c1oc2ccc(F)cc2c1CBr.C[O-]'] | 0 | Its SMILES notation is CCOC(=O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F. | ChemQA/retro_39340 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(N)CN.Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C', 'Clc1ccc2ncc(-c3cc4ccccc4o3)n2n1.O[C@@H]1CCCNC1', 'C[C@]12CC(C=O)C(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]21OCOC12COCO2.NNc1cc(F)cc(F)c1', 'COc1ccc(CNc2nc(Cl)nc3sc([N+](=O)[O-])cc23)cc1Cl.c1nc[nH]n1'] | 2 | Its SMILES notation is C[C@]12Cc3cnn(-c4cc(F)cc(F)c4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]21OCOC12COCO2. | ChemQA/retro_39341 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc2ncc(=O)n(CCC3(O)CCC4(CC3)OCCO4)c2c1', 'COc1cccc(N)c1.Clc1ccc(Nc2ncc(Br)cn2)cc1Cl', 'CCNC(=O)C(C)N1CCNCC1.COc1cc(C=CC(=O)Cl)cc(OC)c1OC', 'CN(C)Cc1ccc(C=O)cc1.NNc1ccc(I)cc1'] | 1 | Its SMILES notation is COc1cccc(Nc2cnc(Nc3ccc(Cl)c(Cl)c3)nc2)c1. | ChemQA/retro_39342 |
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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)NCc1cccc([N+](=O)[O-])c1', 'COc1cc(-c2nc3ccc(O)cc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC.ClCCN1CCCCC1', 'Brc1ccccc1.C[Sn](C)(C)c1ccccc1', 'O=[N+]([O-])c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)NCc1cccc(N)c1. | ChemQA/retro_39343 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O.CS(=O)(=O)c1ccc(CBr)cc1', 'C[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2F)cc(C(=O)Nc2nccs2)c1', 'FC(F)(F)Oc1ccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)cc1', 'CCCN.O=[N+]([O-])c1cc(F)c(F)cc1F'] | 0 | Its SMILES notation is COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1OCc1ccc(S(C)(=O)=O)cc1. | ChemQA/retro_39344 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1cc(C2CNN=C2c2ccccc2)on1.O=C=Nc1ccc(OC(F)(F)F)cc1', 'CC(=O)O.CC(C)Nc1cc(Cl)ncc1C(=O)NCC[C@@H](C)N', 'COCCNCCO.COc1cc2[nH]ncc2cc1Nc1ncnc2sc3c(c12)CCC(C(=O)O)C3', 'CS(=O)(=O)c1ccc(F)c(C(=O)O)c1.C[S-]'] | 2 | Its SMILES notation is COCCN(CCO)C(=O)C1CCc2c(sc3ncnc(Nc4cc5cn[nH]c5cc4OC)c23)C1. | ChemQA/retro_39345 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)c1cccnc1', 'CN(C)C(CCc1ccccc1)C1CCC2(CC1)OCCO2', 'CC1CC(=O)c2c(O)ccc(Br)c2C1.CCCC[Sn](CCCC)(CCCC)c1nccs1', 'COC(=O)c1ccc2oc(Cl)nc2c1.C[C@H](c1cccc2ccccc12)N(CC1CCNCC1c1cccc(F)c1)C(=O)OC(C)(C)C'] | 1 | Its SMILES notation is CN(C)C(CCc1ccccc1)C1CCC(=O)CC1. | ChemQA/retro_39346 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)c1ccc2c(c1)C13CC2c2ccccc2C1CN(CC1CCCC1)C3', 'C[C@H](NC(=O)OC(C)(C)C)C(=O)O.O=C(OCc1ccccc1)[C@@H]1CCCN1', 'CC(NC(=O)c1coc(Cl)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.Oc1cccc(I)c1', 'O=Cc1csc2ccccc12.c1ccc(N2CCNCC2)nc1'] | 2 | Its SMILES notation is CC(NC(=O)c1coc(Oc2cccc(I)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1. | ChemQA/retro_39347 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=C[Mg+].O=Cc1cccc(Cl)c1O', 'CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)F', 'CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1', 'CC1(C)OB(c2ccc3c(c2)CNC(=O)N3)OC1(C)C.Cc1nc(N2N=C(Cl)C[C@@H]2C2CCCC2)ccc1C#N'] | 1 | Its SMILES notation is CN(CCc1ccc(N)cc1)C(=O)C(F)(F)F. | ChemQA/retro_39348 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Cc1ccccc1NN.O=C(OC(=O)c1ccccc1)c1ccccc1', 'CNCc1ccccc1.O=C(CCl)c1ccc(F)cc1', 'Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)C(=O)[C@H](O)[C@@H](c1ccccc1)N3', 'CCOC(=O)c1ccc(N=C2NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1'] | 0 | Its SMILES notation is Cc1ccccc1N(N)C(=O)c1ccccc1. | ChemQA/retro_39349 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CB1OB(C)OB(C)O1.Cc1cc2c(I)nn(C3CCCCO3)c2cc1[N+](=O)[O-]', 'CN(Cc1ccccc1)[C@@H]1c2cc3cc(Br)ccc3n2C[C@@H]1CO.CS(=O)(=O)Cl', 'COc1ccc2c(O[C@H]3CN[C@H](C(=O)O)C3)nccc2c1.O=C(Cl)OCC1c2ccccc2-c2ccccc21', 'BrC(Br)(Br)Br.CCCCC[C@H]1CC[C@H](CCO)CC1'] | 0 | Its SMILES notation is Cc1cc2c(C)nn(C3CCCCO3)c2cc1[N+](=O)[O-]. | ChemQA/retro_39350 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCCNC(=O)OC(C)(C)C)nn3c2)c1', 'Cc1cccc(C=O)c1C.c1ccc2ncc(Nc3ncnc4c3CNC4)cc2c1', 'O=C(Cl)c1ccc(C(=O)c2ccccc2)cc1.c1ccc2c(c1)Cn1cccc1CN2', 'CC(=O)Nc1cc(-c2c(F)cccc2F)cc(-n2cnc3cc(-n4cccn4)ccc32)c1'] | 1 | Its SMILES notation is Cc1cccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)c1C. | ChemQA/retro_39351 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1c(Cc2ccc(F)cc2F)nc2c(c1-c1ccc(C(=O)O)cc1)C(=O)N1CCC[C@@H]21.NN1CCc2ccccc21', 'COCCOC1CCNCC1.O=C(O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F', 'O=C(O)c1ccc([N+](=O)[O-])c(F)c1', 'O=C1CCc2cc([N+](=O)[O-])ccc2N1CCN1CCOCC1'] | 3 | Its SMILES notation is Nc1ccc2c(c1)CCC(=O)N2CCN1CCOCC1. | ChemQA/retro_39352 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC=O.O=C1CSC(=O)N1CCCCSc1cccc2nccn12', 'O=[N+]([O-])c1cc(Br)ccc1SCCCCl', 'CC(C)OC(=O)c1cccnc1N1CCN(Cc2cccc(Br)c2)CC1.Nc1ccccc1C(F)(F)F', 'CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCCNC4)no2)cc1C#N.CCOC(=O)CCCBr'] | 2 | Its SMILES notation is CC(C)OC(=O)c1cccnc1N1CCN(Cc2cccc(Nc3ccccc3C(F)(F)F)c2)CC1. | ChemQA/retro_39353 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)Cn1cc(Sc2c(C)[nH]c3c(F)c(Cl)ccc23)cn1.CCn1cc(Br)cn1', 'CCN(CC)CC.O=C(O)c1nc(CCl)n(-c2ccccc2C(=O)c2ccccn2)n1', 'CC(C)(C)OC(=O)N(CCc1ccc(Br)cc1)C[C@H](O)c1ccccc1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1-c1cccs1', 'Nc1ccccn1.O=C(O)C(CC1CCCC1)c1ccc(-c2cccc3ccccc23)cc1'] | 3 | Its SMILES notation is O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc(-c2cccc3ccccc23)cc1. | ChemQA/retro_39354 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1ccc2sc(C)c(C(=O)c3ccc(Cl)cc3Cl)c2c1', 'O=Cc1ccc2c(c1)OCO2.[Li]CCCC', 'CCOC(=O)C(=O)Cl.Nc1ccc(Cl)cc1C(=O)C(F)(F)F', 'CC(=O)O[BH-](OC(C)=O)OC(C)=O.COC(=O)C(CC1CC1)c1ccc(N)cn1'] | 3 | Its SMILES notation is COC(=O)C(CC1CC1)c1ccc(NC(C)C)cn1. | ChemQA/retro_39355 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnc(C(C)C)nc1NCc1ccco1', 'CC(CC(=O)Nc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1)NC(=O)OC(C)(C)C.CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C', 'COC(=O)C(CC1CCCC1(F)F)c1ccc(Cl)c(Cl)c1.Nc1nccs1', 'NN.O=C(Cl)C1(c2cccs2)CCOCC1'] | 1 | Its SMILES notation is CC(CC(=O)Nc1cccc(-c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1)NC(=O)OC(C)(C)C. | ChemQA/retro_39356 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['FCCI.Nc1nc(-c2ccco2)c(-c2ccc(=O)[nH]c2)c(-c2ccco2)n1', 'CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.COC(=O)C(N)Cc1c[nH]c2c(Br)cccc12', 'C1COCCN1.O=C1C=C(O)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1', 'CC(C)(C)OC(=O)N1CCNCC1.O=CC1CCCC1'] | 2 | Its SMILES notation is O=C1C=C(N2CCOCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1. | ChemQA/retro_39357 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C[C@H](CCC(=O)O)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3.ClCc1ccccc1', 'COc1c(C)cc(CCl)cc1C', 'COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1[N+](=O)[O-]', 'CCOc1cc(Cc2cnc(N)nc2N)cc2[nH]ccc12.CN(C)S(=O)(=O)Cl'] | 1 | Its SMILES notation is Cc1cc(CCl)cc(C)c1O. | ChemQA/retro_39358 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)NC(=O)CC1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1.O=C(Cl)c1c(F)cccc1F', 'O=[N+]([O-])c1ccc(F)cc1.c1ccc(CN2CCNCC2)cc1', 'COc1cccc(N2CCNCC2)c1.Cc1onc(-c2ccccc2Cl)c1C(=O)O', 'COC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1N)[C@@H](C)OC1CCC1.Cc1cc(C)c(N=C=O)c(C)c1'] | 0 | Its SMILES notation is CC(=O)NC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)s2)CC1. | ChemQA/retro_39359 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1CC(C)(C)c1ccccc1', 'CC(CC=O)CC(C)(C)C.CC(c1ccc2ccccc2c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1', 'CC(=O)Oc1ccc2c(c1)c(C(=O)NC1CCN(CCc3ccccc3)CC1)c(C)n2Cc1ccccc1', 'CC(=O)CCl.Oc1ccn(-c2ccc(Cl)cc2)n1'] | 0 | Its SMILES notation is COC(=O)N1CCC(CO)CC1CC(C)(C)c1ccccc1. | ChemQA/retro_39360 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCC(C)c1c(OC)cccc1OC', 'COCCn1nc(C(N)=O)cc1CC1CCOCC1', 'COc1cc(-c2nn(C3CCNC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.Cc1n[nH]cc1C=O', 'O=C1N[C@@H](Cc2ccc(Oc3cccc(Cl)n3)cc2)CO1'] | 1 | Its SMILES notation is COCCn1nc(C#N)cc1CC1CCOCC1. | ChemQA/retro_39361 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1ccc2occ(Br)c2c1.OB(O)c1ccc(OC(F)(F)F)cc1', 'CC(C)n1c(C=O)c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)O.Nc1ccccc1', 'CN1CCC(=C2c3ccccc3C=Cc3ccc(CN)cc32)CC1.COc1cc(C(=O)Cl)cc(OC)c1OC', 'CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=O.Cc1cc([Mg+])ccc1Cl'] | 3 | Its SMILES notation is Cc1cc(C(=O)c2cn(Cc3cccc(Br)n3)c3ccccc3c2=O)ccc1Cl. | ChemQA/retro_39362 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)N1c2ccc(-c3cn[nH]c3)c(OC3CCC3)c2CC[C@@H]1C.CS(=O)(=O)OC1CCS(=O)(=O)CC1', 'CC(C)(C)C(=O)Cl.CC1(C)CC(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3Cl)nc2O1', 'N#Cc1c(Cl)nc(N)nc1OCc1ccccn1.OCc1ccccc1', 'CN(Cc1ccccc1)[C@@H]1c2cc3cc(Br)ccc3n2C[C@@H]1CO.CS(=O)(=O)Cl'] | 1 | Its SMILES notation is CC1(C)CC(NC(=O)C(C)(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3Cl)nc2O1. | ChemQA/retro_39363 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)c1cc2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2[nH]1.CI', 'N#C[Cu].O=C(O)c1ccc(OC2CCCC2)c(Br)c1', 'C[C@H]1C(=O)O[C@@H]2CC=C[C@@H]21.[O-][Cl+3]([O-])([O-])O', 'CC1(C)CC(O)CC(C)(C)N1O.O=C(O)C1CC1'] | 2 | Its SMILES notation is C[C@H]1C(=O)O[C@@H]2C[C@H](O)C[C@@H]21. | ChemQA/retro_39364 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)CCC(=O)CN1C(=O)c2ccccc2C1=O.N#CCN', 'CC(C)I.CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN)O[C@H]2n1cnc2cncnc21', 'CC(C)(NC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccc(C(F)(F)F)n1', 'CCOC(=O)c1ccc(O)cc1.OCc1ccc2c(c1)OCO2'] | 3 | Its SMILES notation is CCOC(=O)c1ccc(OCc2ccc3c(c2)OCO3)cc1. | ChemQA/retro_39365 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCC4CCCN4)c23)cc1.N#CCCCBr', 'CCOC(=O)Cc1c(C)c(Sc2nc3ccccc3s2)c2ccccn12', 'CCN1C(=O)SC2(CCCN(C3CCN(C(=O)c4c(N)sc5c4CCCC5=O)CC3)C2)C1=O.CCN=C=O', 'CS(=O)(=O)Cl.NC1=C(O)C(=O)C(c2ccc(Cl)cc2)O1'] | 1 | Its SMILES notation is Cc1c(Sc2nc3ccccc3s2)c2ccccn2c1CC(=O)O. | ChemQA/retro_39366 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1cc(C(=O)O)cc(C(C)(C)C)c1.N#CCCN', 'CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1.O=C=Nc1cc(F)ccc1F', 'COc1ccccc1B(O)O.OCc1cccnc1Cl', 'CC(=O)N1CCNCC1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2ccccc2Oc2ccnc(Cl)n2)cc1'] | 3 | Its SMILES notation is CC(=O)N1CCN(c2nccc(Oc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)n2)CC1. | ChemQA/retro_39367 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)c1ccc(C=O)cc1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCNCC1', 'O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1', 'Cc1cccc(C)c1-c1cccc(C=O)c1', 'CCCCCC(=O)O.Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1N'] | 0 | Its SMILES notation is CN(C)c1ccc(CN2CCC(CNC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1. | ChemQA/retro_39368 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1', 'CC(C)(C)OC(=O)NCc1ccc(C(=O)O)cc1.CCCN(CCC)Cc1ccc(N)cc1', 'CI.CN1CCC(OC(c2cccc(I)c2)c2nc3ccccc3[nH]2)CC1', 'CC(=O)OC(C)=O.CC1(C)OB(c2cccc(N)c2)OC1(C)C'] | 1 | Its SMILES notation is CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1. | ChemQA/retro_39369 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CC(=O)N(C)C.CCc1nc2c(N)nc3cc(Br)ccc3c2n1CC1CCOCC1', 'Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCO)cc21', 'CC[O-].Cc1nc(F)ccc1Br', 'CCCCNC(=O)C(C)(C)CO'] | 0 | Its SMILES notation is CCc1nc2c(N)nc3cc(/C=C/C(=O)N(C)C)ccc3c2n1CC1CCOCC1. | ChemQA/retro_39370 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)Cc1ccccc1', 'CNc1nccc(-c2cc3cc(C(=O)O)ccc3[nH]2)n1.NC(=O)[C@@H](N)CN(c1ccccc1)c1ncccn1', 'C1COCCN1.O=[N+]([O-])c1ccc(CBr)c(F)c1', 'CN.Cc1ccc2c(c1)c1c(n2CC(OS(C)(=O)=O)c2ccncc2)CCN(C)C1'] | 1 | Its SMILES notation is CNc1nccc(-c2cc3cc(C(=O)N[C@@H](CN(c4ccccc4)c4ncccn4)C(N)=O)ccc3[nH]2)n1. | ChemQA/retro_39371 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1ccc2ccc3cccnc3c2n1.[N-]=[N+]=[N-]', 'CCOC(=O)C1=C(CSCC(OCC)OCC)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1', 'CCCc1ccc(OCC(=O)OC(C)(C)C)cc1', 'CCOC(=O)Cc1csc(N)n1.O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1Cl'] | 1 | Its SMILES notation is CCOC(=O)C1=C(CSCC=O)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1. | ChemQA/retro_39372 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#CCN1C2CCC1CC(Oc1ccc(Cl)c(Cl)c1)C2.[N-]=[N+]=[N-]', 'Nc1ccc(C(=O)N2CCOCC2)c(C(F)(F)F)c1', 'COc1cc(C=O)ccc1O.OCCCCCCCCCCCBr', 'O=S(=O)(Cl)c1ccccc1.O=[N+]([O-])c1cnc2[nH]ccc2c1'] | 2 | Its SMILES notation is COc1cc(C=O)ccc1OCCCCCCCCCCCO. | ChemQA/retro_39373 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)C(O)(c1ccc(Br)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.OB(O)c1ccc(Cl)cc1', 'N#CN.Nc1c(Cl)cccc1Cl', 'BrCc1ccc(-c2ccccc2-c2nnnn2Cc2ccccc2)cc1.COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C', 'COc1cccc2c1Oc1ccccc1C21CCN(Cc2ccccc2)CC1'] | 1 | Its SMILES notation is N=C(N)Nc1c(Cl)cccc1Cl. | ChemQA/retro_39374 |
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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(=Cc2cccc(Oc3ccc(O)cc3)c2)CC1.FC(F)(F)CI', 'CCN(CC)c1nc2ccc(Cl)cc2c(-c2cccc(Cl)c2)c1C(=O)OC(C)(C)C', 'CC1(C)OB(c2cn[nH]c2)OC1(C)C.COc1ccc(CCl)cc1', 'CCOC(=O)CCCc1cccc(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)c1C(F)(F)F'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(OCC(F)(F)F)cc3)c2)CC1. | ChemQA/retro_39375 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrCC=Cc1ccccc1.CC(C)(C)OC(=O)NS(N)(=O)=O', 'COC(=O)[C@H](Cc1ccccc1)Nc1ncnc(-c2ccc(OCc3ccccc3)cc2)c1C=O', 'Clc1cnc(Cl)c(Cl)c1.Oc1ccc(O)cc1', 'O=C(NCCO)NCc1ccccc1OCc1ccccc1'] | 0 | Its SMILES notation is CC(C)(C)OC(=O)N(CC=Cc1ccccc1)S(N)(=O)=O. | ChemQA/retro_39376 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['OC(CCCc1ccc(F)cc1)c1cncn1Cc1ccccc1', 'CC(C)(C)OC(=O)N1CCc2c(c(C(F)(F)F)nn2CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)C1', 'O=C(O)Cc1cc(F)c(F)cc1F', 'NCc1ccc(-c2ccccc2)nn1.O=S(=O)(Cl)c1cccnc1'] | 3 | Its SMILES notation is O=S(=O)(NCc1ccc(-c2ccccc2)nn1)c1cccnc1. | ChemQA/retro_39377 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['N#Cc1cnc2c(Br)cc([N+](=O)[O-])cc2c1NC1CCCC1', 'CC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C.Cc1cc(C)c(CNC(=O)c2cc(Br)cc3c2cnn3C(C)C)c(=O)[nH]1', 'COC(=O)c1cccc(C)c1.O=C1CCC(=O)N1Br', 'N#Cc1ccc(Cn2nc(C(=O)O)c3cc(F)ccc32)cc1.NCc1ccc(-c2nnn[nH]2)cc1'] | 0 | Its SMILES notation is N#Cc1cnc2c(Br)cc(N)cc2c1NC1CCCC1. | ChemQA/retro_39378 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['COC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c2nc(C3CC3)oc12', 'C=COC=C.CCNC(=O)Nc1nc2cc(OCc3ccccc3)cc(Br)c2s1', 'CC(C)(C)OC(=O)N1CC(=O)C1.NCCN1CCCC1', 'COc1c(I)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.OB(O)c1ccc2cc(O)ccc2c1'] | 1 | Its SMILES notation is C=C(OCC)c1cc(OCc2ccccc2)cc2nc(NC(=O)NCC)sc12. | ChemQA/retro_39379 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['Clc1cc(I)ccn1.OB(O)c1ccc(Cl)cc1', 'CC(C)CC(=O)Cl.c1ccc(C2CNCCO2)cc1', 'COC(=O)COc1ccc(SCC=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C', 'CC(=O)Cl.CC(C)(C)OC(=O)N1C[C@@H](NCCNc2ccc(C#N)cn2)C[C@H]1C(=O)N1CCSC1'] | 2 | Its SMILES notation is Cc1cc(SCC=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)ccc1OCC(=O)O. | ChemQA/retro_39380 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)OC(C)=O.COc1ccc2c(c1)OC(CN)=C(c1ccccc1)O2', 'Nc1ccccc1.O=C(O)CCl', 'CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1.N#Cc1cc(O)ccc1Br', 'CC(NC(=O)CC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1'] | 3 | Its SMILES notation is CC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1. | ChemQA/retro_39381 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)P(=O)(N(C)C)N(C)C.Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1Br', 'CC(C)(C)OC(=O)NC1(C=O)CC1.O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CNCCO)ccc1Cl', 'CN(C)C1CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OC3CCCCO3)c2F)CC1(C)C', 'CCI.CCOC(=O)C1(C(O)c2ccc(OCCc3nc(-c4ccccc4)oc3C)nc2)CCC1'] | 0 | Its SMILES notation is Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1C. | ChemQA/retro_39382 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C[Si](C)(C)CCOCn1nc(N)c2cc(-c3ccccc3)c(Cl)cc21.O=C=Nc1ccccc1', 'C1COCCOCCOCCOCCOCCOCCN1.CCC(C)(C)C(=O)Cl', 'CC1(C)OB(c2cccc(CO)c2)OC1(C)C.O=S(=O)(Oc1csc2nc(C34CC5CC(CC(C5)C3)C4)cn12)C(F)(F)F', 'CCOC(=O)c1csc(C2CCC2)n1'] | 1 | Its SMILES notation is CCC(C)(C)C(=O)N1CCOCCOCCOCCOCCOCCOCC1. | ChemQA/retro_39383 |
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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[C@@H](n2nc(-c3ccc(Oc4ccccc4F)cc3)c3c(N)ncnc32)C1', 'CNC(=O)c1cc(Oc2ccc3c(c2)CC(N)CC3)ccn1.COc1ccc(C(=O)O)cc1F', 'COC(=O)C(Cl)CSCc1ccccc1.[N-]=[N+]=[N-]', 'CCNC(=O)c1ccc(-n2cc(C(=O)OCC)nn2)c(OCCCc2ccccc2)c1'] | 1 | Its SMILES notation is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(OC)c(F)c2)CC3)ccn1. | ChemQA/retro_39384 |
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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)N1C(C(=O)O)CSC1c1cccnc1.COC(=O)[C@@H](N)CC(C)C', 'CCOC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC(C)C', 'Cc1sc(C(=O)OCc2ccccc2)cc1N.O=C(Cl)Cc1ccccc1', 'COc1ccc(C2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3ccccc3)C(C)(C)O4)CC2)cc1OC'] | 3 | Its SMILES notation is COc1ccc(C2CCN(c3c(C)c(C)c4c(c3C)C(c3ccccc3)C(C)(C)O4)CC2)cc1OC. | ChemQA/retro_39385 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['BrCCc1ccccc1.CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]n(-c3ccccc3)c(=O)c12', 'CC(C)(C)OC(=O)N1CCCNCC1.CC(C)=O', 'CN(C)C1CCNC1.O=C(O)C[C@@H]1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1', 'COc1ccccc1[C@H](C)C(=O)N1CC2C(=O)CCC(C)(C)C2C1.COc1ccccc1[Mg+]'] | 1 | Its SMILES notation is CC(C)N1CCCN(C(=O)OC(C)(C)C)CC1. | ChemQA/retro_39386 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['C=CCc1cccc(-c2[nH]c3cc(C(=O)OC)ccc3c2C2CCCCC2)c1O', 'C1COCCN1.CC(C)Oc1ccc(-c2cnc(Cl)cc2N)cc1F', 'BrCc1ccccn1.CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)NC(=O)CO4)cc2)CCC1', 'CN(C)C=O.Cn1ncc2cc(Br)ccc21'] | 1 | Its SMILES notation is CC(C)Oc1ccc(-c2cnc(N3CCOCC3)cc2N)cc1F. | ChemQA/retro_39387 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CCOP(OCC)OCC.COc1ccc(OC(=O)Cl)cc1', 'CC(C)(C)OC(=O)NCC#CCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21', 'Clc1ccc(Cl)nn1.NN', 'O=C(O)CC1(CC(=O)O)CCCCC1'] | 0 | Its SMILES notation is CCOP(=O)(OCC)C(=O)Oc1ccc(OC)cc1. | ChemQA/retro_39388 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(=O)Cl.Cc1noc(C)c1-c1cc(CN)c2[nH]c(=O)n3c2c1OC[C@@H]3c1ccccn1', 'CCNC[C@H]1CC[C@H](CC(=O)OCC)CC1.O=Cc1ncccc1F', 'CCOC(=O)c1cc(C#N)c(N2CC(C(=O)O)C2)nc1C(F)F.NS(=O)(=O)Cc1ccc(F)cc1F', 'Cc1ccnc2nc(Cl)[nH]c(=O)c12.OCCCOc1ccccc1Cl'] | 0 | Its SMILES notation is CC(=O)NCc1cc(-c2c(C)noc2C)c2c3c1[nH]c(=O)n3[C@@H](c1ccccn1)CO2. | ChemQA/retro_39389 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CN(C)CCC(=O)c1ccc(OCCCN2CCCCC2)cc1', 'Cc1ccc(B(O)O)cc1.O=C(c1ccc2[nH]c(C(=O)N3CCS(=O)(=O)CC3)cc2c1)N1CCN(C2CCCC2)CC1', 'CN(C)CCNc1ccccc1[N+](=O)[O-]', 'CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cl.Cn1cc(-c2cnccc2Oc2cc(F)c(N)cc2Cl)cn1'] | 1 | Its SMILES notation is Cc1ccc(-n2c(C(=O)N3CCS(=O)(=O)CC3)cc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)cc1. | ChemQA/retro_39390 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['CC(C)(C)[Si](C)(C)O[C@H]1CCNC1=O.Cc1ccc(CBr)cc1', 'O=C(OCc1ccccc1)C(Cc1ccccc1)CS(=O)(=O)Cl.O=C1CNCCN1', 'Cc1ccc(S(=O)(=O)Cl)cc1.O=C1NCC(CO)O1', 'CCCC1CN(Cc2ccccc2)CCC1=O'] | 2 | Its SMILES notation is Cc1ccc(S(=O)(=O)OCC2CNC(=O)O2)cc1. | ChemQA/retro_39391 |
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What are the most likely reactants that can produce the following organic molecule in a chemical reaction? | ['O=C1CCC2(CCOC2)CC1', 'O=C(O)c1ccc(C(F)(F)F)cc1F.Oc1ccccc1', 'CCN(CC)C(=O)N(C1CCCCC1)C1CC2CCC(C1)N2C(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCN(C(=O)OC(C)(C)C)CC1', 'CCOC(=O)c1cnc2ccc(F)cc2c1'] | 2 | Its SMILES notation is CCN(CC)C(=O)N(C1CCCCC1)C1CC2CCC(C1)N2C(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCNCC1. | ChemQA/retro_39392 |