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["20.109 #","Structure","Chembridge ID","Mol Weight","Mol Formula","Chemical name","Rotational bonds","Stereochemistry","SMILES","Z score_Rep1","Z score_Rep2","Z score average","Z score spread"]
[1,null,7983098,436.3,"C20 H19 Cl2 N3 O4","N-(2,3-dichlorophenyl)-2-[1-(4-methoxybenzoyl)-3-oxo-2-piperazinyl]acetamide",4,"unknown","N1(C(=O)c2ccc(cc2)OC)C(C(=O)NCC1)CC(=O)Nc1c(c(Cl)ccc1)Cl",28.506243444061202,29.914569433146202,{"$f":"AVERAGE(J2:K2)","v":29.210406438603702},{"$f":"ABS(J2-K2)","v":1.4083259890850002}]
[2,null,9019541,247.2,"C12 H13 N3 O3","3-(4-hydroxyphenyl)-1-methyltetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione",1,"unknown","C12C(N(NC2c2ccc(cc2)O)C)C(=O)NC1=O",39.797574826217499,33.249093284435403,36.523334055326451,6.5484815417820954]
[3,null,50771468,359.4,"C20 H17 N5 O2","5-[3-(2-furyl)benzoyl]-2-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",3,"achiral","c1(nc2c([nH]1)CCN(C(=O)c1cc(c3occc3)ccc1)C2)c1c[nH]nc1",30.8144003927308,21.022809809373001,25.918605101051902,9.7915905833577987]
[4,null,49596195,368.5,"C21 H28 N4 O2","4-(6-amino-2-methylpyridin-3-yl)-N-[3-(3-hydroxypiperidin-1-yl)propyl]benzamide",6,"racemic","n1c(c(ccc1N)c1ccc(C(=O)NCCCN2CC(O)CCC2)cc1)C",28.826734938538401,25.1189400055021,{"$f":"AVERAGE(J5:K5)","v":26.972837472020252},{"$f":"ABS(J5-K5)","v":3.7077949330363005}]
[5,null,7975752,524.4,"C25 H22 Br N3 O5","4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(2-furylmethyl)-3-(2-hydroxy-4,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one",4,"unknown","c12c(c(n[nH]2)c2cc(c(cc2O)C)C)C(N(C1=O)Cc1occc1)c1cc(c(c(c1)OC)O)Br",44.860504228228997,30.454343020540598,37.657423624384798,14.406161207688399]
[6,null,73294826,403.5,"C19 H25 N5 O3 S","2-cyclopropyl-N-{[1-({[5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)piperidin-3-yl]methyl}acetamide",8,"racemic","c1([nH]c(nn1)SCC(=O)N1CC(CNC(=O)CC2CC2)CCC1)c1occc1",24.0951699390416,37.791204032812097,{"$f":"AVERAGE(J7:K7)","v":30.94318698592685},{"$f":"ABS(J7-K7)","v":13.696034093770496}]
[7,null,5302079,257.3,"C16 H19 N O2","4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid",1,"unknown","c12C3C(C(Nc1ccc(c2)C(=O)O)CCC)CC=C3",37.029229582969002,24.797053555645402,{"$f":"AVERAGE(J8:K8)","v":30.9131415693072},{"$f":"ABS(J8-K8)","v":12.2321760273236}]
[8,null,95953497,382.4,"C17 H19 F N2 O5 S","N'-{[5-(4-fluorophenyl)-2-furyl]methyl}-N-[rac-(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thienyl]-N-methylurea",4,"racemic","S1(=O)(=O)C[C@@H](N(C(=O)NCc2oc(cc2)c2ccc(cc2)F)C)[C@@H](C1)O",28.636538690854,22.605498729312799,{"$f":"AVERAGE(J9:K9)","v":25.621018710083398},{"$f":"ABS(J9-K9)","v":6.0310399615412003}]
[9,null,43676841,337.3,"C18 H15 N3 O4","5-[4-(2-furyl)benzoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid",3,"achiral","c12c(n[nH]c2CCN(C1)C(=O)c1ccc(c2occc2)cc1)C(=O)O",37.7658071746093,58.948965561701499,48.357386368155403,21.183158387092199]
[10,null,7990903,275.3,"C14 H13 N O3 S","3-methyl-4-oxo-6-(2-thienyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid",2,"unknown","c12c(c([nH]c1CC(c1sccc1)CC2=O)C(=O)O)C",39.797574826217499,33.249093284435403,{"$f":"AVERAGE(J11:K11)","v":36.523334055326451},{"$f":"ABS(J11-K11)","v":6.5484815417820954}]
[11,null,5655222,292.39999999999998,"C19 H20 N2 O","2,4-bis[(4-methylphenyl)amino]-2-cyclopenten-1-one",4,"unknown","C1(=CC(CC1=O)Nc1ccc(cc1)C)Nc1ccc(cc1)C",38.126523458458799,33.380423610385101,{"$f":"AVERAGE(J12:K12)","v":35.75347353442195},{"$f":"ABS(J12-K12)","v":4.7460998480736976}]
[12,null,43707503,450.6,"C22 H34 N4 O4 S","1-(2-hydroxy-3-{2-methoxy-4-[({2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}amino)methyl]phenoxy}propyl)-4-piperidinol",11,"racemic","c1(n(ccn1)C)SCCNCc1cc(c(OCC(CN2CCC(CC2)O)O)cc1)OC",44.299326509931099,20.115743323619402,32.207534916775252,24.183583186311697]
[13,null,7965443,343.8,"C19 H15 Cl F N O2","4-(2-chloro-6-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid",2,"unknown","C1(Nc2c(C3C1CC=C3)cc(C(=O)O)cc2)c1c(Cl)cccc1F",36.988660088650803,55.511072884552902,{"$f":"AVERAGE(J14:K14)","v":46.249866486601853},{"$f":"ABS(J14-K14)","v":18.522412795902099}]
[14,null,51963936,376.5,"C21 H24 N6 O","(2S,4S)-4-amino-N-methyl-1-[(1-phenyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide",5,"single enantiomer","c1(c(nn(c1)c1ccccc1)c1ccncc1)CN1[C@H](C(=O)NC)C[C@@H](C1)N",33.686319420474703,19.929491405268799,{"$f":"AVERAGE(J15:K15)","v":26.807905412871751},{"$f":"ABS(J15-K15)","v":13.756828015205905}]