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molcot-grpo

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<|bos|> <|qed|> <0.14> <|cot|>
property
{"properties": ["qed"], "values": [0.1397497434401225], "target_smiles": "CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1"}
<|bos|> <|qed|> <0.75> <|cot|>
property
{"properties": ["qed"], "values": [0.7469757394113661], "target_smiles": "Cc1cc(N)sc1-c1nc(-c2cc(F)cc(Br)c2)no1"}
<|bos|> <|qed|> <0.79> <|cot|>
property
{"properties": ["qed"], "values": [0.787976807514811], "target_smiles": "CC(C)(C)OC(=O)N1CCC(CN2CC(S(N)(=O)=O)CC2=O)CC1"}
<|bos|> <|qed|> <0.34> <|cot|>
property
{"properties": ["qed"], "values": [0.33722208802044423], "target_smiles": "CI.I.I.I"}
<|bos|> <|qed|> <0.76> <|cot|>
property
{"properties": ["qed"], "values": [0.7570772648281682], "target_smiles": "CCCc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl"}
<|bos|> <|qed|> <0.40> <|cot|>
property
{"properties": ["qed"], "values": [0.4021078250169813], "target_smiles": "OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)c2nncn21"}
<|bos|> <|qed|> <0.33> <|cot|>
property
{"properties": ["qed"], "values": [0.3255033881950484], "target_smiles": "[C-]#[N+]c1ccc(CCOC(=O)NC(CC(=O)O)C(=O)Cn2nnnc2Sc2c(Cl)cc(C)cc2Cl)cc1"}
<|bos|> <|qed|> <0.82> <|cot|>
property
{"properties": ["qed"], "values": [0.8171679219626503], "target_smiles": "Cc1ccc(S(=O)(=O)NCCCC2=CCCC=C2)cc1"}
<|bos|> <|qed|> <0.21> <|cot|>
property
{"properties": ["qed"], "values": [0.2064190344280111], "target_smiles": "Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)C1C2SC3C(OC(=O)C31)C2OC(=O)C1CC2c3ccccc3C1c1ccccc12"}
<|bos|> <|qed|> <0.77> <|cot|>
property
{"properties": ["qed"], "values": [0.770143663517174], "target_smiles": "CNc1nc(=O)n(Cc2cn(SF)cn2)c2cc(C3CC3)ccc12"}
<|bos|> <|qed|> <0.74> <|cot|>
property
{"properties": ["qed"], "values": [0.7404530561127137], "target_smiles": "Cc1csc(CCNS(=O)(=O)c2cnn(-c3ccccc3)c2)n1"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8476231460121484], "target_smiles": "CCCC1(CNc2ccc(Cl)cc2C#N)CC1"}
<|bos|> <|qed|> <0.07> <|cot|>
property
{"properties": ["qed"], "values": [0.07170004791505828], "target_smiles": "CC(C)(C)OC(=O)Oc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(OC=O)cc3)c3ccc(OC(=O)OC(C)(C)C)cc3)cc2)cc1.COC(C)(C)C"}
<|bos|> <|qed|> <0.28> <|cot|>
property
{"properties": ["qed"], "values": [0.2832136945693795], "target_smiles": "C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCN1CCCC1=O"}
<|bos|> <|qed|> <0.37> <|cot|>
property
{"properties": ["qed"], "values": [0.36730136101103367], "target_smiles": "CCCCOc1cccc(CN/C(=N/C)NCCCCSC)c1"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7204166839793246], "target_smiles": "N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(N3CCCCC3)o2)cc1"}
<|bos|> <|qed|> <0.26> <|cot|>
property
{"properties": ["qed"], "values": [0.2583813568302298], "target_smiles": "Nc1nc2ncc(CNc3ccc(C(=O)NC(=O)CC[C@H](N)C(=O)O)cc3)nc2c(=O)[nH]1"}
<|bos|> <|qed|> <0.19> <|cot|>
property
{"properties": ["qed"], "values": [0.19056968415088743], "target_smiles": "c1cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)cc4)c4ccc(c1)c2c34"}
<|bos|> <|qed|> <0.65> <|cot|>
property
{"properties": ["qed"], "values": [0.6537953176533159], "target_smiles": "[H]/N=C(\\N)c1cc(COc2cc(F)ccc2C)ccn1"}
<|bos|> <|qed|> <0.41> <|cot|>
property
{"properties": ["qed"], "values": [0.40577210009729997], "target_smiles": "Cc1c(OCCCCCCO)ccnc1CSc1nc2ccccc2[nH]1"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8541974500852638], "target_smiles": "Cc1cnc(N2CCN(CC(C)C)[C@@H](CCO)C2)nc1N(C)C"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8499799633089427], "target_smiles": "Cc1cnc(CNC(=O)c2cc(N)ccc2Cl)s1"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7193404932400808], "target_smiles": "Cc1ccc(CC2CCCC2=O)c(C)c1"}
<|bos|> <|qed|> <0.35> <|cot|>
property
{"properties": ["qed"], "values": [0.3481088522416636], "target_smiles": "CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7195217249241539], "target_smiles": "O=C(O)c1[nH]c2[nH]ccc(=O)c2c1Br"}
<|bos|> <|qed|> <0.42> <|cot|>
property
{"properties": ["qed"], "values": [0.41834226007093916], "target_smiles": "CN1CCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)CC1"}
<|bos|> <|qed|> <0.33> <|cot|>
property
{"properties": ["qed"], "values": [0.32874873641170776], "target_smiles": "CCN/C(=N\\CCCC(C)C)NCCNS(C)(=O)=O"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.7959249935957876], "target_smiles": "O=C1CCC(n2cc3c(F)cc(N4C5CNCC4C5)c(F)c3c2)C(=O)N1"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8651696469327328], "target_smiles": "CCOc1ccc(NC(=O)C(C#N)C(C)C)cn1"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.7345413590681448], "target_smiles": "CC(=O)CCc1ccc(SC(C)=O)cc1"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8735800654104574], "target_smiles": "CCC(O)(c1cccc2cnccc12)C(C)C"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8711595472813399], "target_smiles": "CCC(O)(CC)COc1cccc2c1CCC2=O"}
<|bos|> <|qed|> <0.10> <|cot|>
property
{"properties": ["qed"], "values": [0.10202495886304949], "target_smiles": "N=C(N)N/N=C/c1oc(-c2ccc(S(=O)(=O)O)o2)c(-c2ccc(S(=O)(=O)O)o2)c1[N+](=O)[O-]"}
<|bos|> <|qed|> <0.72> <|cot|>
property
{"properties": ["qed"], "values": [0.7234281865937652], "target_smiles": "CCCN1CCC(NC(=O)CCCOc2ccc(Cl)c(C)c2)CC1"}
<|bos|> <|qed|> <0.70> <|cot|>
property
{"properties": ["qed"], "values": [0.7033501122822657], "target_smiles": "C=C(C)CN(CCC(=O)O)c1ccccc1OCCC"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.729855463308737], "target_smiles": "COc1ccc(Cl)c(-n2c(-c3cccs3)n[nH]c2=S)c1"}
<|bos|> <|qed|> <0.67> <|cot|>
property
{"properties": ["qed"], "values": [0.6691689543886975], "target_smiles": "COC(=O)c1nccc(Oc2ccc(N)c(C)c2)n1"}
<|bos|> <|qed|> <0.88> <|cot|>
property
{"properties": ["qed"], "values": [0.8812622971425105], "target_smiles": "O=C(NCc1ccccc1)C1CC(c2ccccc2)C(=O)O1"}
<|bos|> <|qed|> <0.90> <|cot|>
property
{"properties": ["qed"], "values": [0.8959364404737636], "target_smiles": "Cc1cnc(N)c(C(O)c2ccc(Br)cc2C)c1"}
<|bos|> <|qed|> <0.74> <|cot|>
property
{"properties": ["qed"], "values": [0.7364687385240243], "target_smiles": "O=C1C=CC=c2cc3c(cc21)=CC12C=CC=CC1=CSC2C3=O"}
<|bos|> <|qed|> <0.69> <|cot|>
property
{"properties": ["qed"], "values": [0.6915753187748005], "target_smiles": "C[C@@H]1C(=O)C(C#N)=C[C@]2(C)c3nn(C)cc3C[C@H]12"}
<|bos|> <|qed|> <0.19> <|cot|>
property
{"properties": ["qed"], "values": [0.19073635497028954], "target_smiles": "Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccccn3)c3ccnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8663291076438595], "target_smiles": "CCO.CS(=O)(=O)OCC(c1ccccc1)C(F)(F)F"}
<|bos|> <|qed|> <0.76> <|cot|>
property
{"properties": ["qed"], "values": [0.7614661361238284], "target_smiles": "C/C=C\\C(=C/CCC)c1nn(-c2ccccc2)c(NC)c1C"}
<|bos|> <|qed|> <0.68> <|cot|>
property
{"properties": ["qed"], "values": [0.6823174591549377], "target_smiles": "COC(=O)/C=C/N1c2ccccc2C=C(C)C1NC(C)=O"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.7276564255239463], "target_smiles": "Cl.O=C(CCC(=O)c1ccc(Cl)cc1)NCCN1CCNCC1"}
<|bos|> <|qed|> <0.82> <|cot|>
property
{"properties": ["qed"], "values": [0.8179802545163565], "target_smiles": "C[N+]1([C@H](Cc2ccc(O)cc2)C(=O)O)CCCCC1"}
<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.8418690454279731], "target_smiles": "Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1"}
<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8330786422687916], "target_smiles": "Cc1ccc(S(=O)(=O)NC(C#N)(CC(C)C)CC(C)C)cc1"}
<|bos|> <|qed|> <0.67> <|cot|>
property
{"properties": ["qed"], "values": [0.6688363526142439], "target_smiles": "COc1cc2nc(C)cn2cc1C(=O)Nc1cnc(N2CCN[C@@H](C)C2)cn1.Cl"}
<|bos|> <|qed|> <0.10> <|cot|>
property
{"properties": ["qed"], "values": [0.1017096116823558], "target_smiles": "CC(=O)OC1O[C@H](C(O)NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O"}
<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.839286044368736], "target_smiles": "OC1CCC(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1"}
<|bos|> <|qed|> <0.90> <|cot|>
property
{"properties": ["qed"], "values": [0.8955236298319303], "target_smiles": "CC(CCc1ccco1)NC1C2CCCOC2C1(C)C"}
<|bos|> <|qed|> <0.89> <|cot|>
property
{"properties": ["qed"], "values": [0.889461146139668], "target_smiles": "C[NH+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cscn1"}
<|bos|> <|qed|> <0.68> <|cot|>
property
{"properties": ["qed"], "values": [0.6839499970927989], "target_smiles": "CCCNC(C)(CN1CCOCC1CC)C(=O)OCC"}
<|bos|> <|qed|> <0.19> <|cot|>
property
{"properties": ["qed"], "values": [0.1864026395811884], "target_smiles": "CCC1=C(C)c2cc3[nH]c(cc4[nH]c(c(C)c4CC)c(/C=C/C(=O)O)c4nc(c(/C=C/C(=O)O)c1n2)C(C)=C4CC)c(C)c3CC"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.798567988370074], "target_smiles": "O=C1N[C@@H]2CCCC[C@H]2C1CCCN1CCC(Oc2ccc(F)c(F)c2)CC1"}
<|bos|> <|qed|> <0.70> <|cot|>
property
{"properties": ["qed"], "values": [0.6964638813811217], "target_smiles": "Cc1cccc(Cc2cc(C)cc(C)c2)c1"}
<|bos|> <|qed|> <0.27> <|cot|>
property
{"properties": ["qed"], "values": [0.27108897294091183], "target_smiles": "[H]/N=C(\\N)c1ccc2cc(CS(=O)(=O)OC(=O)/C=C/C=C/C)ccc2c1"}
<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8280988298307025], "target_smiles": "CCNc1cnc(C(=O)Nc2ccc(SC)cc2)cn1"}
<|bos|> <|qed|> <0.28> <|cot|>
property
{"properties": ["qed"], "values": [0.2822861771868422], "target_smiles": "COc1cc(/C=C(\\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(F)cc1"}
<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.8415642385220158], "target_smiles": "COc1nc(N2CCCC(C)C2C)ncc1Br"}
<|bos|> <|qed|> <0.87> <|cot|>
property
{"properties": ["qed"], "values": [0.8713743736258123], "target_smiles": "CCCC(C#N)C(=O)NCc1c(Cl)cccc1OC"}
<|bos|> <|qed|> <0.88> <|cot|>
property
{"properties": ["qed"], "values": [0.8776188550484515], "target_smiles": "Cc1ccc(Cl)cc1NC(=O)CNCC1CCCS1"}
<|bos|> <|qed|> <0.23> <|cot|>
property
{"properties": ["qed"], "values": [0.22967290611190297], "target_smiles": "c1ccc(-n2c3ccccc3c3oc4c(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)cccc4c32)cc1"}
<|bos|> <|qed|> <0.75> <|cot|>
property
{"properties": ["qed"], "values": [0.7480259087501827], "target_smiles": "CCNc1ccc(Cl)c(COCCOC)n1"}
<|bos|> <|qed|> <0.14> <|cot|>
property
{"properties": ["qed"], "values": [0.1388478614865672], "target_smiles": "CC(C)(O)c1ccc(CCCC(CCCc2ccc(C(C)(C)O)cc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1"}
<|bos|> <|qed|> <0.88> <|cot|>
property
{"properties": ["qed"], "values": [0.8788928507780952], "target_smiles": "CCOC(=O)C(N)c1cn(C(C)C)c2c(Cl)cccc12"}
<|bos|> <|qed|> <0.35> <|cot|>
property
{"properties": ["qed"], "values": [0.3496897400891557], "target_smiles": "COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)C(C)C)n1"}
<|bos|> <|qed|> <0.80> <|cot|>
property
{"properties": ["qed"], "values": [0.7974502687256827], "target_smiles": "Cc1cc(N2CCC(C)CC2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1"}
<|bos|> <|qed|> <0.73> <|cot|>
property
{"properties": ["qed"], "values": [0.7253029122345034], "target_smiles": "CCNC(=O)Cn1nc(-c2nc(-c3cncc(Cl)c3)ns2)ccc1=O"}
<|bos|> <|qed|> <0.79> <|cot|>
property
{"properties": ["qed"], "values": [0.7925610480341944], "target_smiles": "O=CC(c1ccc(F)cc1)N1C=Cc2ccccc2C1"}
<|bos|> <|qed|> <0.79> <|cot|>
property
{"properties": ["qed"], "values": [0.7881201904468087], "target_smiles": "CCCC(C)COc1cc(N)cc(Cl)n1"}
<|bos|> <|qed|> <0.17> <|cot|>
property
{"properties": ["qed"], "values": [0.168070496474593], "target_smiles": "Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(O)NS(C)(=O)=O)c2oc(-c3cnn(CC(C)(C)O)c3)c(C)c(=O)c2c1"}
<|bos|> <|qed|> <0.78> <|cot|>
property
{"properties": ["qed"], "values": [0.7827768802396311], "target_smiles": "CC(N)CCc1ccc(OCC2CO2)c2cc[nH]c12"}
<|bos|> <|qed|> <0.40> <|cot|>
property
{"properties": ["qed"], "values": [0.4025065428767946], "target_smiles": "CCC(=O)Oc1cccc(C=O)c1"}
<|bos|> <|qed|> <0.19> <|cot|>
property
{"properties": ["qed"], "values": [0.19050344205319], "target_smiles": "CC(C)(C)OC(=O)N(CCCF)[C@H]1CCN(c2c(Cl)cnc3c2c2cc(C#N)ncc2n3COCC[Si](C)(C)C)C1"}
<|bos|> <|qed|> <0.09> <|cot|>
property
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<|bos|> <|qed|> <0.09> <|cot|>
property
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<|bos|> <|qed|> <0.84> <|cot|>
property
{"properties": ["qed"], "values": [0.8368245516136783], "target_smiles": "CCCN1CCN(C(C(=O)O)c2ccccc2OCC)CC1C"}
<|bos|> <|qed|> <0.72> <|cot|>
property
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<|bos|> <|qed|> <0.28> <|cot|>
property
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<|bos|> <|qed|> <0.83> <|cot|>
property
{"properties": ["qed"], "values": [0.8297402463923529], "target_smiles": "CCC(C)S(=O)(=O)Cc1ccc(C#N)cc1F"}
<|bos|> <|qed|> <0.69> <|cot|>
property
{"properties": ["qed"], "values": [0.6870806580870364], "target_smiles": "CC(C)n1c([C@@H](C)O)nc2c(F)cc(-c3nc(Cl)ncc3Cl)cc21"}
<|bos|> <|qed|> <0.68> <|cot|>
property
{"properties": ["qed"], "values": [0.6785418896173573], "target_smiles": "CC(C)C[C@H](N[C@@H](C(=O)NC(C)C)c1ccc(F)cc1F)C(=O)O"}
<|bos|> <|qed|> <0.30> <|cot|>
property
{"properties": ["qed"], "values": [0.3038570973754897], "target_smiles": "C[n+]1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccc(N)cc2)C(=O)O4)cc1"}
<|bos|> <|qed|> <0.31> <|cot|>
property
{"properties": ["qed"], "values": [0.31104911967075577], "target_smiles": "CC(C)C(C)OC(=O)OCCC(C)[C@@H](O[N+](=O)[O-])[C@@H](C)O[N+](=O)[O-]"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8458555915597166], "target_smiles": "COC(=O)c1c[nH]c(-c2cccc(F)c2F)cc1=O"}
<|bos|> <|qed|> <0.67> <|cot|>
property
{"properties": ["qed"], "values": [0.6742546950005154], "target_smiles": "Cn1ncnc1Cn1ccc2cc(F)ccc21"}
<|bos|> <|qed|> <0.81> <|cot|>
property
{"properties": ["qed"], "values": [0.8117624566599468], "target_smiles": "Cc1nc(NC(=O)CCC(=O)c2cccs2)sc1C(=O)N(C)C"}
<|bos|> <|qed|> <0.66> <|cot|>
property
{"properties": ["qed"], "values": [0.6645853377673888], "target_smiles": "CNC(=O)CCNC(=O)CN1CCCCC1=O"}
<|bos|> <|qed|> <0.19> <|cot|>
property
{"properties": ["qed"], "values": [0.18853866001449163], "target_smiles": "N#CCC1c2ccccc2C(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCN2c2ncc(Br)cn2)CN1C(=O)Nc1ccc(C(F)(F)F)cc1"}
<|bos|> <|qed|> <0.37> <|cot|>
property
{"properties": ["qed"], "values": [0.36590892375482476], "target_smiles": "C=CCN1C(=O)C(=O)/C(=C(\\O)c2ccccc2)C1c1ccc(Br)cc1"}
<|bos|> <|qed|> <0.31> <|cot|>
property
{"properties": ["qed"], "values": [0.3120837920599126], "target_smiles": "S=C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1"}
<|bos|> <|qed|> <0.21> <|cot|>
property
{"properties": ["qed"], "values": [0.21148953683459934], "target_smiles": "CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCSC)NC(=O)C1CCCN1)C(=O)O"}
<|bos|> <|qed|> <0.22> <|cot|>
property
{"properties": ["qed"], "values": [0.21540017415254706], "target_smiles": "CC1(C)c2ccccc2-c2cc3c4ccc5ccccc5c4n(-c4nc(=O)n5c(n4)sc4ccccc45)c3cc21"}
<|bos|> <|qed|> <0.74> <|cot|>
property
{"properties": ["qed"], "values": [0.7394918818497762], "target_smiles": "Cc1ccccc1OCCNCC1CCN(Cc2ccccc2)CC1"}
<|bos|> <|qed|> <0.21> <|cot|>
property
{"properties": ["qed"], "values": [0.2071645303570207], "target_smiles": "c1ccc(-c2ccc(N3CN(c4ccc(-c5ccccc5)cc4)CN(c4ccc(-c5ccccc5)cc4)C3)cc2)cc1"}
<|bos|> <|qed|> <0.66> <|cot|>
property
{"properties": ["qed"], "values": [0.66250310152741], "target_smiles": "CCN(CC(C)C#N)C(=O)CN1CCN(C(C#N)c2ccc(Br)cc2)CC1"}
<|bos|> <|qed|> <0.85> <|cot|>
property
{"properties": ["qed"], "values": [0.8454257446018502], "target_smiles": "CCN(Cc1cncs1)C1CCNCC1"}
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