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molcot-grpo-subset

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<|bos|> <|qed|> <0.75> <|cot|>
property
{"properties": ["qed"], "values": [0.7476445366608422], "target_smiles": "CC(C)(O)OC1CC(=O)[C@@H](C2COC(C)(C)O2)O1"}
<|bos|> <|qed|> <0.15> <|cot|>
property
{"properties": ["qed"], "values": [0.15208590238867525], "target_smiles": "C.C#[N+]CC.C#[N+]CS(=O)(=O)c1ccc(C)cc1.CC.CC.CC.CC.CCc1[c-]nc2ccccc2n1.CCc1nc2ccccc2n2cnc(C)c12.CCc1nc2ccccc2n2cncc12.Clc1[c-]nc2ccccc2n1.[Y].[Y]"}
<|bos|> <|qed|> <0.35> <|cot|>
property
{"properties": ["qed"], "values": [0.3532799983082147], "target_smiles": "CCN(CC/C(N)=N/O)C(=O)Cc1cccc(F)c1"}
<|bos|> <|qed|> <0.81> <|cot|>
property
{"properties": ["qed"], "values": [0.8125950801891905], "target_smiles": "CC(N)C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1.Cl"}
<|bos|> <|qed|> <0.74> <|cot|>
property
{"properties": ["qed"], "values": [0.7427995324017411], "target_smiles": "Cc1ccc(NC(=O)N2CCN(C3CCCCCC3)CC2)cc1Br"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.7980331747460503], "target_smiles": "CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.7980016082433035], "target_smiles": "CC(C)[C@@H](N)c1ccc(N(C)CCO)cc1"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.7328591031401145], "target_smiles": "CCCOc1cccc(CC(=O)NC(C)(CC(=O)O)C(C)C)c1"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7173893003314705], "target_smiles": "O=C(Nc1ccc2ncsc2c1)C1CCCCN1S(=O)(=O)c1cccs1"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8715112610558452], "target_smiles": "CNc1cc(-c2cnnn2C)nc(C(C)(C)C)n1"}
<|bos|> <|qed|> <0.23> <|cot|>
property
{"properties": ["qed"], "values": [0.23476840764239423], "target_smiles": "Cc1cc(COc2ccccc2Cl)c(C)c(C2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3Cl)C3=C2C(=O)CCC3)c1"}
<|bos|> <|qed|> <0.33> <|cot|>
property
{"properties": ["qed"], "values": [0.3349061198940052], "target_smiles": "C/C(=C(/C#N)SN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(N(C)C)cc1"}
<|bos|> <|qed|> <0.24> <|cot|>
property
{"properties": ["qed"], "values": [0.23550133096462272], "target_smiles": "O=C(N/N=C/c1c[nH]c2ccccc12)C1CC(c2ccccc2OCc2ccc(Cl)cc2)NN1"}
<|bos|> <|qed|> <0.18> <|cot|>
property
{"properties": ["qed"], "values": [0.17902132135048754], "target_smiles": "COCCOCCOCCOc1ccccc1[I+]c1ccccc1.F[B-](F)(F)F"}
<|bos|> <|qed|> <0.75> <|cot|>
property
{"properties": ["qed"], "values": [0.7518390206850172], "target_smiles": "CC1(C)OC[C@@H]([C@@H](C(F)(F)F)S(=O)(=O)O)O1"}
<|bos|> <|qed|> <0.40> <|cot|>
property
{"properties": ["qed"], "values": [0.3982053464448114], "target_smiles": "CC/C(=C(/N)ON)c1ccc(C)cc1C(c1ccc(Cl)cc1)C(C)C[O-].[K+]"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.733542713751588], "target_smiles": "C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8717219720563355], "target_smiles": "Cc1nc(C)c(C(=O)N2C3CCC2C(C(=O)O)C3)o1"}
<|bos|> <|qed|> <0.70> <|cot|>
property
{"properties": ["qed"], "values": [0.7000994741232711], "target_smiles": "CCOC1(OCC)N=C(N)c2ccc(OCC(C)CC(C)C)cc21"}
<|bos|> <|qed|> <0.29> <|cot|>
property
{"properties": ["qed"], "values": [0.2923185726441611], "target_smiles": "CCC1([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(N)=O)N2C(=O)Oc2ccc(-c3ccccc3)cc2)CCCCC1"}
<|bos|> <|qed|> <0.11> <|cot|>
property
{"properties": ["qed"], "values": [0.11276752880652273], "target_smiles": "Cc1ccc(-c2cc(F)c(N(c3ccc(C#N)cc3)c3ccc4ccc5c(N(c6ccc(C#N)cc6)c6cc(F)c(-c7ccc(C)c(C)c7)cc6F)ccc6ccc3c4c65)cc2F)cc1C"}
<|bos|> <|qed|> <0.42> <|cot|>
property
{"properties": ["qed"], "values": [0.42291182896665175], "target_smiles": "CCCCCCCCCCCCNC1CN(C)C(=O)N1c1nnc(C(C)(C)C)s1"}
<|bos|> <|qed|> <0.81> <|cot|>
property
{"properties": ["qed"], "values": [0.8105730711491324], "target_smiles": "CCCC(CC)NC(=O)c1cc(C)c(F)c(S(=O)(=O)Cl)c1"}
<|bos|> <|qed|> <0.43> <|cot|>
property
{"properties": ["qed"], "values": [0.42893275647433404], "target_smiles": "CCc1cccc(C[C@H](NC(=O)CCn2cc(-c3cccc(OC)c3)nn2)B(O)O)c1"}
<|bos|> <|qed|> <0.13> <|cot|>
property
{"properties": ["qed"], "values": [0.13009935148463417], "target_smiles": "O=C(OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1"}
<|bos|> <|qed|> <0.69> <|cot|>
property
{"properties": ["qed"], "values": [0.6936478810928158], "target_smiles": "C=CCCC(=O)N1CC(=O)N(c2cccc(OC)c2)CC1Cc1ccccc1"}
<|bos|> <|qed|> <0.89> <|cot|>
property
{"properties": ["qed"], "values": [0.8933821166348281], "target_smiles": "CNc1cccc2c1CN(C(C)c1ccccc1)C2"}
<|bos|> <|qed|> <0.70> <|cot|>
property
{"properties": ["qed"], "values": [0.7005811523698624], "target_smiles": "O=C(O)CN1CCC(n2ccnn2)C1=O"}
<|bos|> <|qed|> <0.38> <|cot|>
property
{"properties": ["qed"], "values": [0.37747054224020116], "target_smiles": "O=C(N[C@H](C(=O)NCC[C@H](O)C(=O)O)c1ccccc1)OCC1c2ccccc2-c2ccccc21"}
<|bos|> <|qed|> <0.33> <|cot|>
property
{"properties": ["qed"], "values": [0.32888017606889014], "target_smiles": "COc1ccc(S(=O)(=O)NCCNC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1"}
<|bos|> <|qed|> <0.69> <|cot|>
property
{"properties": ["qed"], "values": [0.6890831415402187], "target_smiles": "CC(C)(C)OC(=O)N1CCC(CNC(CO)CO)CC1"}
<|bos|> <|qed|> <0.77> <|cot|>
property
{"properties": ["qed"], "values": [0.7675345114867723], "target_smiles": "OC(CNc1cccc(Br)c1)COc1cccc(Br)c1"}
<|bos|> <|qed|> <0.16> <|cot|>
property
{"properties": ["qed"], "values": [0.1632928240553783], "target_smiles": "CCOc1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCCOc1ccc(C)cc1"}
<|bos|> <|qed|> <0.09> <|cot|>
property
{"properties": ["qed"], "values": [0.09015783273803568], "target_smiles": "CSc1ccc(-c2c(F)c(F)c(Sc3c(F)c(F)c(S(F)(F)(F)(F)F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)cc1"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7170990526882383], "target_smiles": "CCNc1ncnc2[nH]c3cc(C#N)ccc3c12"}
<|bos|> <|qed|> <0.76> <|cot|>
property
{"properties": ["qed"], "values": [0.7616917991509013], "target_smiles": "Fc1ccc(C2=C[C@H](CCl)ON2)cc1"}
<|bos|> <|qed|> <0.16> <|cot|>
property
{"properties": ["qed"], "values": [0.15695532400952267], "target_smiles": "CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccccc1"}
<|bos|> <|qed|> <0.30> <|cot|>
property
{"properties": ["qed"], "values": [0.2970000666718677], "target_smiles": "C/N=C(\\NCCCn1nc(C)cc1C)N1CCN(c2ccccc2F)CC1.I"}
<|bos|> <|qed|> <0.36> <|cot|>
property
{"properties": ["qed"], "values": [0.35568726807889245], "target_smiles": "C=C.CC(C)=C/C=C(\\C)O.c1ccc(C2CCCCC2)cc1"}
<|bos|> <|qed|> <0.23> <|cot|>
property
{"properties": ["qed"], "values": [0.23275938919173447], "target_smiles": "CCCN(N)C(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)s1"}
<|bos|> <|qed|> <0.29> <|cot|>
property
{"properties": ["qed"], "values": [0.2931899823383682], "target_smiles": "C=CC1C=[N+]2CCc3c([nH]c4ccccc34)C2CC1/C(=C\\O)C(=O)OC"}
<|bos|> <|qed|> <0.43> <|cot|>
property
{"properties": ["qed"], "values": [0.42903737548573995], "target_smiles": "CCCCCCCC(NCC)N(CC)CC"}
<|bos|> <|qed|> <0.31> <|cot|>
property
{"properties": ["qed"], "values": [0.31118073361129805], "target_smiles": "COc1ccc(N2C(c3ccc(Cl)cc3)=NOC2c2cc3cc(C)ccc3nc2-n2cncn2)cc1"}
<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.841720845108358], "target_smiles": "CCCNC(=O)C1CCN(CC(=O)Nc2cc(C)ccc2C)CC1"}
<|bos|> <|qed|> <0.26> <|cot|>
property
{"properties": ["qed"], "values": [0.2611624951465005], "target_smiles": "[H]/N=C(\\N)c1csc(C[C@H](NC(=O)CCCN(C)C)C(=O)NC(=O)[C@@H]2CCCN2)c1"}
<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8344264818802789], "target_smiles": "CNc1cc(-c2ccc(C)cc2C)n(C)n1"}
<|bos|> <|qed|> <0.76> <|cot|>
property
{"properties": ["qed"], "values": [0.7621491838947706], "target_smiles": "CCCOc1cccc(C(CCC(F)(F)F)NCC)c1"}
<|bos|> <|qed|> <0.70> <|cot|>
property
{"properties": ["qed"], "values": [0.698161110970887], "target_smiles": "Cc1ccc(C(C)[N+]2=Cc3c(F)cccc3[B-]23OC(=O)[C@@H]2CCCC[C@H]2C(=O)O3)cc1"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.8008097776786828], "target_smiles": "CC(c1ccccn1)N(C)C(=O)C1CC1c1cccc(Cl)c1Cl"}
<|bos|> <|qed|> <0.81> <|cot|>
property
{"properties": ["qed"], "values": [0.8115682854052635], "target_smiles": "CN(C)CCN1C[C@@H](C(=O)NCCc2ccc(F)cc2)CC1=O"}
<|bos|> <|qed|> <0.29> <|cot|>
property
{"properties": ["qed"], "values": [0.2882664548354271], "target_smiles": "c1ccc(-c2ccc(-c3ccccc3)c3nc4c(nc23)Sc2ccccc2S4)cc1"}
<|bos|> <|qed|> <0.88> <|cot|>
property
{"properties": ["qed"], "values": [0.8766750137068985], "target_smiles": "CCc1occc1C(Cc1cc(C)ccc1C)NC"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8524556245167944], "target_smiles": "C=CC(=O)N1CCCc2cc(C(=O)NC(C)(C)c3nc(C)no3)ccc21"}
<|bos|> <|qed|> <0.79> <|cot|>
property
{"properties": ["qed"], "values": [0.7908989264138949], "target_smiles": "CNc1nc(C2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1CN(C)CC2"}
<|bos|> <|qed|> <0.89> <|cot|>
property
{"properties": ["qed"], "values": [0.8851460878600094], "target_smiles": "Cl.O=C(CC1CSCCN1)NCC1CCCc2ccccc21"}
<|bos|> <|qed|> <0.26> <|cot|>
property
{"properties": ["qed"], "values": [0.26453740333965453], "target_smiles": "CCC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1"}
<|bos|> <|qed|> <0.69> <|cot|>
property
{"properties": ["qed"], "values": [0.6861250047665907], "target_smiles": "C=Cc1cccc(-n2nnn(C)c2=O)c1COc1ccccc1C(F)(F)F"}
<|bos|> <|qed|> <0.89> <|cot|>
property
{"properties": ["qed"], "values": [0.8899865936989062], "target_smiles": "CC1CCN(CCNc2cccc(Cl)c2)C(C)C1"}
<|bos|> <|qed|> <0.20> <|cot|>
property
{"properties": ["qed"], "values": [0.20011155749616336], "target_smiles": "CC1C(CSc2ccccc2C(=O)O)OC(c2ccc(NC(=O)CCCC(=O)O)cc2)OC1c1ccc(CO)cc1"}
<|bos|> <|qed|> <0.28> <|cot|>
property
{"properties": ["qed"], "values": [0.28204072949148024], "target_smiles": "Brc1cc(Br)c(-c2c(Br)ccc(Br)c2Br)cc1Br"}
<|bos|> <|qed|> <0.36> <|cot|>
property
{"properties": ["qed"], "values": [0.3620902372722531], "target_smiles": "CCCCCCCCOC(=O)CCC(=O)OCc1ccc2ccccc2c1"}
<|bos|> <|qed|> <0.77> <|cot|>
property
{"properties": ["qed"], "values": [0.7737276397814692], "target_smiles": "COc1ccccc1NC(=O)CS(=O)(=O)C(C)CC(=O)O"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.7328396685613219], "target_smiles": "Clc1ccc2c(c1)-c1cccn1C(=C1CC1)N2"}
<|bos|> <|qed|> <0.20> <|cot|>
property
{"properties": ["qed"], "values": [0.19994489831726825], "target_smiles": "C=CC(=O)N1C[C@H](C)N(c2nc(OCSC3CCCN3C)nc3c(=O)n(-c4cccc5ccccc45)c(C(F)(F)F)nc23)[C@@H](C)C1"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.847875047911008], "target_smiles": "CCNC1CC(Oc2cccc(C)c2)C1OC"}
<|bos|> <|qed|> <0.23> <|cot|>
property
{"properties": ["qed"], "values": [0.2263268981928383], "target_smiles": "COc1ccc(CCN(C)C(=O)CSc2nnc3c4ccccc4n(Cc4cccc(C)c4)c3n2)cc1OC"}
<|bos|> <|qed|> <0.34> <|cot|>
property
{"properties": ["qed"], "values": [0.344265067812636], "target_smiles": "CCOCCCCN/C(=N\\C)NCCCc1ccc(OC)c(OC)c1"}
<|bos|> <|qed|> <0.25> <|cot|>
property
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<|bos|> <|qed|> <0.31> <|cot|>
property
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<|bos|> <|qed|> <0.84> <|cot|>
property
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<|bos|> <|qed|> <0.35> <|cot|>
property
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<|bos|> <|qed|> <0.69> <|cot|>
property
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<|bos|> <|qed|> <0.86> <|cot|>
property
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<|bos|> <|qed|> <0.85> <|cot|>
property
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<|bos|> <|qed|> <0.82> <|cot|>
property
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<|bos|> <|qed|> <0.41> <|cot|>
property
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<|bos|> <|qed|> <0.17> <|cot|>
property
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<|bos|> <|qed|> <0.79> <|cot|>
property
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<|bos|> <|qed|> <0.06> <|cot|>
property
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<|bos|> <|qed|> <0.43> <|cot|>
property
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<|bos|> <|qed|> <0.74> <|cot|>
property
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<|bos|> <|qed|> <0.43> <|cot|>
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<|bos|> <|qed|> <0.88> <|cot|>
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<|bos|> <|qed|> <0.80> <|cot|>
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<|bos|> <|qed|> <0.23> <|cot|>
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<|bos|> <|qed|> <0.83> <|cot|>
property
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<|bos|> <|qed|> <0.80> <|cot|>
property
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<|bos|> <|qed|> <0.70> <|cot|>
property
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<|bos|> <|qed|> <0.14> <|cot|>
property
{"properties": ["qed"], "values": [0.1428789212786147], "target_smiles": "COC(=O)C1(COc2cc3nccc(Oc4ccc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cc4F)c3cc2OC)CC1"}
<|bos|> <|qed|> <0.44> <|cot|>
property
{"properties": ["qed"], "values": [0.44387393772451045], "target_smiles": "CC1(C)CCCCCC1(O)C#N"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8468335554469187], "target_smiles": "CC(C)c1ccc(C(NC(=O)c2coc(CN)c2)C(C)C)cc1"}
<|bos|> <|qed|> <0.89> <|cot|>
property
{"properties": ["qed"], "values": [0.8880075686493537], "target_smiles": "CC(C)Cc1nc(-c2occc2Br)[nH]c(=O)c1Br"}
<|bos|> <|qed|> <0.71> <|cot|>
property
{"properties": ["qed"], "values": [0.7134812099649905], "target_smiles": "CN(Cc1ccccc1)c1nnc(Cl)cc1-c1ccccc1"}
<|bos|> <|qed|> <0.31> <|cot|>
property
{"properties": ["qed"], "values": [0.3094355609653998], "target_smiles": "CCCCC(c1ccc2c(c1O)C(=O)C1C(=O)[C@@]3(O)C(=O)C(C(C)=O)C(=O)C(C(C)C)[C@@]3(C)[C@H](C)[C@@]1(C)[C@@H]2C)C1CCC(C)CC1"}
<|bos|> <|qed|> <0.70> <|cot|>
property
{"properties": ["qed"], "values": [0.7038997180192766], "target_smiles": "c1ccc2c(c1)CCc1nccnc1N2"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.8012107062700807], "target_smiles": "NCCc1cccc(-c2nc(-c3ccc(Cl)cn3)no2)c1"}
<|bos|> <|qed|> <0.34> <|cot|>
property
{"properties": ["qed"], "values": [0.3418622207894676], "target_smiles": "C=CCCNc1ccc([N+](=O)[O-])cc1C(=O)O"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.7956407579533256], "target_smiles": "CC(C)NC(=O)c1ccc(C(=O)N2CCN(CCO)CC2)nc1"}
<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.8385014858784362], "target_smiles": "CCCc1nc(-c2ccccc2)oc1OC(=O)O"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7217079902990517], "target_smiles": "COc1cnn(-c2ccc(C=O)s2)c1"}
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