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molcot-grpo-subset-1M

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<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8320649288408741], "target_smiles": "CCSC1CCCC1NS(=O)(=O)c1cc(CN)n(C)c1"}
<|bos|> <|qed|> <0.24> <|cot|>
property
{"properties": ["qed"], "values": [0.23761184259763293], "target_smiles": "COCCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCc3cccnc3)nc2c1"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8737832694785441], "target_smiles": "CNC(c1sccc1C)c1sccc1Cl"}
<|bos|> <|qed|> <0.38> <|cot|>
property
{"properties": ["qed"], "values": [0.3806187421002858], "target_smiles": "NS(=O)(=O)C1CNC1CCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1"}
<|bos|> <|qed|> <0.25> <|cot|>
property
{"properties": ["qed"], "values": [0.25163364107199143], "target_smiles": "O=C(CNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-])Cc1ccc(O)cc1.[Na+]"}
<|bos|> <|qed|> <0.15> <|cot|>
property
{"properties": ["qed"], "values": [0.14820226181129278], "target_smiles": "CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-c2cc3c(cc2C1(C)C)oc1ccccc13.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2cc3c(cc2C1(C)C)oc1ccccc13"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7231657376177394], "target_smiles": "CCN(CC)C(=O)CN1CCN(Cc2nc(-c3ccc(C)c(F)c3)no2)CC1"}
<|bos|> <|qed|> <0.36> <|cot|>
property
{"properties": ["qed"], "values": [0.35802146258199213], "target_smiles": "CCc1cccc(N/C(N)=N/CCN(CCOC)C2CC2)c1.I"}
<|bos|> <|qed|> <0.40> <|cot|>
property
{"properties": ["qed"], "values": [0.3978308802660274], "target_smiles": "CC1=Nc2c(c(C(C)(C)C)nn2C)C(c2cccc([N+](=O)[O-])c2)C1C(=O)OC(C)(C)C"}
<|bos|> <|qed|> <0.71> <|cot|>
property
{"properties": ["qed"], "values": [0.7101506412552547], "target_smiles": "CCCNc1ncccc1S(=O)(=O)NCc1cn[nH]c1"}
<|bos|> <|qed|> <0.30> <|cot|>
property
{"properties": ["qed"], "values": [0.300541134897209], "target_smiles": "CCOC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCO)C(=O)O"}
<|bos|> <|qed|> <0.67> <|cot|>
property
{"properties": ["qed"], "values": [0.6688580775389475], "target_smiles": "CNC(CO)CN(C)c1ccc(C(=O)O)cc1"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.8036933258988634], "target_smiles": "COC(=O)CCNC(=O)N(C)c1ccccc1"}
<|bos|> <|qed|> <0.88> <|cot|>
property
{"properties": ["qed"], "values": [0.8756397561328402], "target_smiles": "CCCNC(Cc1ccc(F)cc1F)C1CCS(=O)(=O)C1"}
<|bos|> <|qed|> <0.41> <|cot|>
property
{"properties": ["qed"], "values": [0.4124238081248577], "target_smiles": "CNC(=O)c1cc2c(nc1NC(C)C)CCN(CC(C)C)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}
<|bos|> <|qed|> <0.67> <|cot|>
property
{"properties": ["qed"], "values": [0.6746695855729474], "target_smiles": "COC[C@@H]1CCC[C@@H](COC)S1"}
<|bos|> <|qed|> <0.68> <|cot|>
property
{"properties": ["qed"], "values": [0.6781720542660462], "target_smiles": "CCNCc1cc(F)c(C)c(S(=O)(=O)NCCOCC)c1"}
<|bos|> <|qed|> <0.39> <|cot|>
property
{"properties": ["qed"], "values": [0.39341530258340046], "target_smiles": "CCOC(=O)/C(=N/OC)C1CCCC1"}
<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8306898835038251], "target_smiles": "Cc1cccc(CN[C@@H](C)C2CCCCC2)c1C"}
<|bos|> <|qed|> <0.31> <|cot|>
property
{"properties": ["qed"], "values": [0.31373613299429043], "target_smiles": "O=C(NC[C@H](NC(=O)c1c(Cl)ccc(N2CC(c3ccccc3)C2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21"}
<|bos|> <|qed|> <0.66> <|cot|>
property
{"properties": ["qed"], "values": [0.6637807957307846], "target_smiles": "CC.CCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1"}
<|bos|> <|qed|> <0.29> <|cot|>
property
{"properties": ["qed"], "values": [0.293805933300729], "target_smiles": "CC(C)c1ccccc1-c1nc(NCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2ncoc2n1"}
<|bos|> <|qed|> <0.12> <|cot|>
property
{"properties": ["qed"], "values": [0.11859967920651245], "target_smiles": "C#Cc1ccc(-c2ccc3c(c2)B(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c2N3c2ccc(-c3ccc(C#C)cc3)cc2B4c2ccccc2)cc1"}
<|bos|> <|qed|> <0.41> <|cot|>
property
{"properties": ["qed"], "values": [0.4134535128599519], "target_smiles": "CC.CC1CN(C(c2ccc(Cl)cc2)C2CC(F)(F)C2)CCN1c1nc(=O)n(C)c2c1ncn2CC1(O)CCCC1"}
<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8288864287164701], "target_smiles": "O=C(O)C1CCC1C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1"}
<|bos|> <|qed|> <0.44> <|cot|>
property
{"properties": ["qed"], "values": [0.4435913551189155], "target_smiles": "O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1"}
<|bos|> <|qed|> <0.65> <|cot|>
property
{"properties": ["qed"], "values": [0.6533525008776305], "target_smiles": "O=C(NCC1CC1)Nc1ccc2ncc(-c3ccc(CO)s3)nc2n1"}
<|bos|> <|qed|> <0.81> <|cot|>
property
{"properties": ["qed"], "values": [0.8104383628627675], "target_smiles": "OCC(CO)CC1CCCN(c2cnc(Cl)nc2)CC1"}
<|bos|> <|qed|> <0.21> <|cot|>
property
{"properties": ["qed"], "values": [0.21293366038605377], "target_smiles": "O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H](NCc4cc5ccccc5nc4Cl)C3)cc2s1)C1CCCC1"}
<|bos|> <|qed|> <0.69> <|cot|>
property
{"properties": ["qed"], "values": [0.6921027341284157], "target_smiles": "COc1cncnc1N1CCNCC1CCCc1csc2ccc(C#N)cc12"}
<|bos|> <|qed|> <0.75> <|cot|>
property
{"properties": ["qed"], "values": [0.748734701337775], "target_smiles": "C=C/C=C(\\C=C)CN1CCC2(CCc3cc(Br)ccc3C2O)CC1"}
<|bos|> <|qed|> <0.82> <|cot|>
property
{"properties": ["qed"], "values": [0.8221882296255332], "target_smiles": "O=C(N[C@H]1CC[C@H](F)CN(C(=O)OCc2ccccc2)C1)OCc1ccccc1"}
<|bos|> <|qed|> <0.39> <|cot|>
property
{"properties": ["qed"], "values": [0.39126982332024585], "target_smiles": "COC(=O)CNSC1=CCC=C(NC2=CC(c3ccccc3)=NC3=C(Br)CNN23)C=C1"}
<|bos|> <|qed|> <0.44> <|cot|>
property
{"properties": ["qed"], "values": [0.435170947482581], "target_smiles": "CNCCCONC1=CC2C(CO)C(=O)[C@@H]3[C@@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1"}
<|bos|> <|qed|> <0.45> <|cot|>
property
{"properties": ["qed"], "values": [0.44783738995819294], "target_smiles": "CCSCCCC(C)=C(C)C"}
<|bos|> <|qed|> <0.66> <|cot|>
property
{"properties": ["qed"], "values": [0.6647282302097431], "target_smiles": "CCN/C(=N\\Cc1nc(-c2ccco2)n[nH]1)N1CC(C)CC(C)C1"}
<|bos|> <|qed|> <0.42> <|cot|>
property
{"properties": ["qed"], "values": [0.41729469228788096], "target_smiles": "CC1(C)Cc2c(sc3c2c(N)n(Cc2ccco2)c(=O)[n+]3Cc2c(Cl)cccc2Cl)CO1"}
<|bos|> <|qed|> <0.78> <|cot|>
property
{"properties": ["qed"], "values": [0.779899491808859], "target_smiles": "Cc1cc2c(c(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3O)c1)OCCCO2"}
<|bos|> <|qed|> <0.88> <|cot|>
property
{"properties": ["qed"], "values": [0.8752531441559843], "target_smiles": "CCN(CCC(=O)O)C(=O)c1ccc(C(C)C)c(Cl)c1"}
<|bos|> <|qed|> <0.76> <|cot|>
property
{"properties": ["qed"], "values": [0.7607241245762227], "target_smiles": "Cc1ccnc(-n2cccc2-c2c(C#N)c(N)nc3c2N2CCC3CC2)c1"}
<|bos|> <|qed|> <0.81> <|cot|>
property
{"properties": ["qed"], "values": [0.8081100678082246], "target_smiles": "CCCC[C@H](N)c1cc(Br)cc(C(F)(F)F)c1.Cl"}
<|bos|> <|qed|> <0.77> <|cot|>
property
{"properties": ["qed"], "values": [0.7723962618276271], "target_smiles": "Cc1cc(Br)c(F)cc1NC(=O)c1c[nH]c(=O)[nH]c1=O"}
<|bos|> <|qed|> <0.17> <|cot|>
property
{"properties": ["qed"], "values": [0.16564667938861263], "target_smiles": "C=CCOC(=O)/C=C(/C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC"}
<|bos|> <|qed|> <0.68> <|cot|>
property
{"properties": ["qed"], "values": [0.6843579017286168], "target_smiles": "COC(=O)[C@@H]1CCN(c2ccc3ncc(-c4ccccn4)n3n2)C1"}
<|bos|> <|qed|> <0.71> <|cot|>
property
{"properties": ["qed"], "values": [0.7134244660563696], "target_smiles": "COC(=O)c1sccc1S(=O)(=O)N(C(N)=O)c1nc(C)nc(OC)n1"}
<|bos|> <|qed|> <0.42> <|cot|>
property
{"properties": ["qed"], "values": [0.4182491135720211], "target_smiles": "C=CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1"}
<|bos|> <|qed|> <0.30> <|cot|>
property
{"properties": ["qed"], "values": [0.30366442896368506], "target_smiles": "COc1ccc2ncc(CF)c(C(F)CCC3(CO)CCN(CCSc4cccs4)CC3)c2c1"}
<|bos|> <|qed|> <0.16> <|cot|>
property
{"properties": ["qed"], "values": [0.16245232702786225], "target_smiles": "Cl.NCc1ccc(N(C(N)=O)c2nc(-c3cccc4c3ccc3c5c(ccc34)CC(C3=NCCN3)CC5)cc3ccccc23)cc1Cl"}
<|bos|> <|qed|> <0.24> <|cot|>
property
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<|bos|> <|qed|> <0.44> <|cot|>
property
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<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8530833827344684], "target_smiles": "c1ccc(-n2nccc2C2CCNCC2)cc1"}
<|bos|> <|qed|> <0.81> <|cot|>
property
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<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.8010831449517315], "target_smiles": "COCCN(CCOC)c1snc(N)c1-c1nc(C)cs1"}
<|bos|> <|qed|> <0.09> <|cot|>
property
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<|bos|> <|qed|> <0.82> <|cot|>
property
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<|bos|> <|qed|> <0.86> <|cot|>
property
{"properties": ["qed"], "values": [0.8603510462171008], "target_smiles": "Cc1ccc(Cl)cc1NC(=O)c1nn(C)c(=O)[nH]1"}
<|bos|> <|qed|> <0.65> <|cot|>
property
{"properties": ["qed"], "values": [0.6546103441239688], "target_smiles": "O=C1c2ccccc2C(=O)N1CCSCC(O)c1ccccc1"}
<|bos|> <|qed|> <0.15> <|cot|>
property
{"properties": ["qed"], "values": [0.14967005154788024], "target_smiles": "CCCCCOc1ccc(/C(O)=C2\\C(=O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2c2cccc(O)c2)cc1"}
<|bos|> <|qed|> <0.77> <|cot|>
property
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<|bos|> <|qed|> <0.37> <|cot|>
property
{"properties": ["qed"], "values": [0.3733212039193394], "target_smiles": "Clc1ccc(C(Cl)(c2ccccc2)c2ccccc2)c(Cl)c1"}
<|bos|> <|qed|> <0.82> <|cot|>
property
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<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8349772937000633], "target_smiles": "COC(=O)[C@]12CS[C@H](c3ccccc3)N1C(=O)C[C@]2(C)O"}
<|bos|> <|qed|> <0.87> <|cot|>
property
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<|bos|> <|qed|> <0.89> <|cot|>
property
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<|bos|> <|qed|> <0.42> <|cot|>
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<|bos|> <|qed|> <0.45> <|cot|>
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<|bos|> <|qed|> <0.75> <|cot|>
property
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<|bos|> <|qed|> <0.25> <|cot|>
property
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<|bos|> <|qed|> <0.42> <|cot|>
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<|bos|> <|qed|> <0.36> <|cot|>
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<|bos|> <|qed|> <0.40> <|cot|>
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<|bos|> <|qed|> <0.73> <|cot|>
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<|bos|> <|qed|> <0.72> <|cot|>
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<|bos|> <|qed|> <0.83> <|cot|>
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<|bos|> <|qed|> <0.19> <|cot|>
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<|bos|> <|qed|> <0.78> <|cot|>
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<|bos|> <|qed|> <0.32> <|cot|>
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<|bos|> <|qed|> <0.84> <|cot|>
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<|bos|> <|qed|> <0.06> <|cot|>
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<|bos|> <|qed|> <0.15> <|cot|>
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<|bos|> <|qed|> <0.24> <|cot|>
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<|bos|> <|qed|> <0.22> <|cot|>
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<|bos|> <|qed|> <0.71> <|cot|>
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<|bos|> <|qed|> <0.89> <|cot|>
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<|bos|> <|qed|> <0.66> <|cot|>
property
{"properties": ["qed"], "values": [0.6615035409979547], "target_smiles": "COCCOc1cc(C)ccc1OCC(O)CN1C(C)(C)CCCC1(C)C"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.7950426839217276], "target_smiles": "CCN1C[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]2C1=O"}
<|bos|> <|qed|> <0.44> <|cot|>
property
{"properties": ["qed"], "values": [0.4391950387104666], "target_smiles": "COc1ccc2sc(Nc3nc4ccc5ccccc5c4s3)nc2c1"}
<|bos|> <|qed|> <0.31> <|cot|>
property
{"properties": ["qed"], "values": [0.3083005391585055], "target_smiles": "CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O"}
<|bos|> <|qed|> <0.24> <|cot|>
property
{"properties": ["qed"], "values": [0.24266582607957982], "target_smiles": "C/C(=N\\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1"}
<|bos|> <|qed|> <0.74> <|cot|>
property
{"properties": ["qed"], "values": [0.7389606735738132], "target_smiles": "CSCC1(O)CCC2CC1C2(C)C"}
<|bos|> <|qed|> <0.86> <|cot|>
property
{"properties": ["qed"], "values": [0.8571200036012261], "target_smiles": "CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)o1"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.732041347967301], "target_smiles": "CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2cnccn2)C[C@H]1C"}
<|bos|> <|qed|> <0.71> <|cot|>
property
{"properties": ["qed"], "values": [0.7062897793578589], "target_smiles": "C=C(C)Nc1ccc(C2=CCCC=C2)cc1.CC(C)C"}
<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.8388272300219638], "target_smiles": "CNC(=O)Oc1cc(C(C)C)ccc1[N+](C)(C)C"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.7292390019647292], "target_smiles": "COc1ccc(C=CCC(C)=O)cc1"}
<|bos|> <|qed|> <0.14> <|cot|>
property
{"properties": ["qed"], "values": [0.1378184758223159], "target_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCOc1ccc(NC(=O)c3ccc(N=C(N)N)cc3)cc1)O2.Cl"}
<|bos|> <|qed|> <0.06> <|cot|>
property
{"properties": ["qed"], "values": [0.05887357580622958], "target_smiles": "CCCCCCCCC1(CCCCCCCC)c2cc(/C=C/C=C(\\N)c3cc(Cl)c(/C(C)=C/C=C(\\C)C(C)(C)C)c4nc(-c5ccccc5)c(C5=CCC(C)C=C5)nc34)ccc2-c2ccc(C(C)(C)C)cc21"}
<|bos|> <|qed|> <0.17> <|cot|>
property
{"properties": ["qed"], "values": [0.17175470364864795], "target_smiles": "[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc([N+]#[C-])c(-c4ccccc4C(F)(F)F)cc3-n3c4cc([N+]#[C-])ccc4c4ccc([N+]#[C-])cc43)c2c1"}
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