0 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)C3=CCCCC3)C 271570a_100000062251_200010272110 [0,0,0,0,0,0|2,0,1]=3 1 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)C3=CCCCO3)C 271570a_100010177797_200010272110 [0,0,0,0,0,0|3,0,1]=4 2 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)C3=CCNCC3)C 271570a_100000731432_200010272110 [0,0,0,0,0,0|2,0,1]=3 3 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)C3=CCOCC3)C 271570a_100000070234_200010272110 [0,0,0,0,0,0|1,0,1]=2 4 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)C3=CCSCC3)C 271570a_100010232141_200010272110 [0,0,0,0,0,0|1,1,1]=3 5 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)C3=COCCC3)C 271570a_100010175576_200010272110 [0,0,0,0,0,0|3,0,1]=4 6 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)N3CC=CCC3)C 27a_100000698166_200010272110 [0,0,0,0,0,0|1,0,1]=2 7 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)N3CCOCC3)C 27a_100015191051_200010272110 [0,0,0,0,0,0|0,0,0]=0 8 B20R3.282105 CC1(CC(=O)c2sc(nc2C1)N3CCSCC3)C 27a_100000737611_200010272110 [0,0,0,0,0,0|0,1,0]=1 9 B21R3.22808392 C=C1CCN(CC1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000752442_200010272110 [0,1,0,0,0,0|1,0,0]=2 10 B21R3.22808392 CC1(CC(=O)c2sc(nc2C1)C3=CCC(CC3)O)C 271570a_100010254553_200010272110 [0,1,0,0,0,0|2,0,1]=4 11 B21R3.22808392 CC1(CC(=O)c2sc(nc2C1)N3CCC(CC3)F)C 27a_100015193889_200010272110 [0,1,0,0,0,0|1,0,0]=2 12 B21R3.22808392 CC1(CC(=O)c2sc(nc2C1)N3CCC(CC3)O)C 27a_100025773856_200010272110 [0,1,0,0,0,0|1,0,0]=2 13 B21R3.22808392 CC1(CC(=O)c2sc(nc2C1)N3CCS(=O)CC3)C 27a_100000752083_200010272110 [0,1,0,0,0,0|0,1,0]=2 14 B21R3.22808392 CC1=CCN(CC1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000693516_200010272110 [0,1,0,0,0,0|1,0,1]=3 15 B21R3.22808392 CC1CC=C(CC1)c2nc3c(s2)C(=O)CC(C3)(C)C 271570a_100010240233_200010272110 [0,1,0,0,0,0|2,0,1]=4 16 B21R3.22808392 CC1CCN(CC1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000188429_200010272110 [0,1,0,0,0,0|1,0,0]=2 17 B21R3.22808392 CN1CCN(CC1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000188432_200010272110 [0,1,0,0,0,0|1,0,0]=2 18 B21R3.23123510 CC1(CC(=O)c2sc(nc2C1)N3CCCC(C3)F)C 27a_100000697950_200010272110 [0,1,0,0,0,0|1,0,0]=2 19 B21R3.23123510 CC1(CC(=O)c2sc(nc2C1)N3CCCC(C3)O)C 27a_100000211013_200010272110 [0,1,0,0,0,0|1,0,0]=2 20 B21R3.23123510 CC1(CC(=O)c2sc(nc2C1)N3CCNC(=O)C3)C 27a_100000184651_200010272110 [0,1,0,0,0,0|1,0,1]=3 21 B21R3.23123510 CC1=CCCN(C1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000725631_200010272110 [0,1,0,0,0,0|1,0,1]=3 22 B21R3.23123510 CC1CN(CCO1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000729577_200010272110 [0,1,0,0,0,0|0,0,0]=1 23 B21R3.23123510 C[C@H]1CCCN(C1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000717927_200010272110 [0,1,0,0,0,0|1,0,0]=2 24 B21R3.27122010 CC1CCCCN1c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000211376_200010272110 [0,1,0,0,0,0|1,0,0]=2 25 B21R3.27122010 C[C@H]1COCCN1c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100009815349_200010272110 [0,1,0,0,0,0|0,0,0]=1 26 B19R2.8918 CN(CC(C)(C)C)c1nnc(s1)N2CCOCC2 27a_100000742839_100012111909 [0,0,1,0,0,0|3,0,0]=4 27 B19R2.2841637 C=CCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100020639649_200010272110 [0,0,1,0,0,0|1,0,1]=3 28 B19R2.2841637 CCCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000207549_200010272110 [0,0,1,0,0,0|1,0,0]=2 29 B19R2.2841637 CN(CCC#N)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000184479_200010272110 [0,0,1,0,0,0|2,0,0]=3 30 B19R2.2841637 CN(CCCO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000213112_200010272110 [0,0,1,0,0,0|2,0,0]=3 31 B19R2.2841637 COCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000743101_200010272110 [0,0,1,0,0,0|0,0,0]=1 32 B19R2.2841637 CSCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000686725_200010272110 [0,0,1,0,0,0|0,1,0]=2 33 B19R2.4654433 C#CCN(CC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000744766_200010272110 [0,0,1,0,0,0|1,0,1]=3 34 B19R2.4654433 CCCN(CC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000226822_200010272110 [0,0,1,0,0,0|1,0,0]=2 35 B19R2.4654433 CCN(CCO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000210973_200010272110 [0,0,1,0,0,0|0,0,0]=1 36 B19R2.6239238 C#CCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000718082_200010272110 [0,0,1,0,0,0|1,0,2]=4 37 B19R2.6239238 C=CCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000700776_200010272110 [0,0,1,0,0,0|1,0,2]=4 38 B19R2.6239238 C=COCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000039644 [0,0,1,0,0,0|1,0,2]=4 39 B19R2.6239238 CC/C=C\CSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100103147603 [0,0,1,0,0,0|2,0,1]=4 40 B19R2.6239238 CC1(CC(=O)c2sc(nc2C1)NCCCCO)C 27a_100000750430_200010272110 [0,0,1,0,0,0|2,0,0]=3 41 B19R2.6239238 CC1(CC(=O)c2sc(nc2C1)SCCCCF)C 62a_200010272110_100000729493 [0,0,1,0,0,0|3,0,0]=4 42 B19R2.6239238 CC1(CC(=O)c2sc(nc2C1)SCCCCO)C 62a_200010272110_100000210776 [0,0,1,0,0,0|3,0,0]=4 43 B19R2.6239238 CCC#CCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100009813939 [0,0,1,0,0,0|2,0,1]=4 44 B19R2.6239238 CCCCC=Cc1nc2c(s1)C(=O)CC(C2)(C)C 271570a_100016275911_200010272110 [0,0,1,0,0,0|2,0,1]=4 45 B19R2.6239238 CCCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000209983_200010272110 [0,0,1,0,0,0|1,0,0]=2 46 B19R2.6239238 CCCCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000210326 [0,0,1,0,0,0|2,0,0]=3 47 B19R2.6239238 CCOCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100011200944_200010272110 [0,0,1,0,0,0|0,0,0]=1 48 B19R2.6239238 CCOCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100011215890 [0,0,1,0,0,0|1,0,0]=2 49 B19R2.6239238 CCSCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000106463_200010272110 [0,0,1,0,0,0|0,1,0]=2 50 B19R2.6239238 CCSCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000757381 [0,0,1,0,0,0|1,1,0]=3 51 B19R2.6239238 COCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100150723488_200010272110 [0,0,1,0,0,0|2,0,0]=3 52 B19R2.6239238 COCCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000709357 [0,0,1,0,0,0|3,0,0]=4 53 B19R2.6239238 CSCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000749238_200010272110 [0,0,1,0,0,0|2,0,0]=3 54 B21R4.7530936 CC1(CC(=O)c2sc(nc2C1)N3CC4CC4C3)C 27a_100000741873_200010272110 [0,0,0,1,0,0|1,0,0]=2 55 B19R3.171806 CC1(CC(=O)c2sc(nc2C1)C3=CCCC3)C 271570a_100000089523_200010272110 [0,0,0,0,1,0|1,0,1]=3 56 B19R3.171806 CC1(CC(=O)c2sc(nc2C1)C3=CCOC3)C 271570a_100009872500_200010272110 [0,0,0,0,1,0|1,0,1]=3 57 B19R3.171806 CC1(CC(=O)c2sc(nc2C1)C3=COCC3)C 271570a_100000118173_200010272110 [0,0,0,0,1,0|1,0,1]=3 58 B19R3.171806 CC1(CC(=O)c2sc(nc2C1)N3CC=CC3)C 27a_100015195280_200010272110 [0,0,0,0,1,0|0,0,2]=3 59 B19R3.171806 CC1(CC(=O)c2sc(nc2C1)N3CCCC3)C 27a_100000188435_200010272110 [0,0,0,0,1,0|0,0,0]=1 60 B19R3.171806 CC1(CC(=O)c2sc(nc2C1)N3CCSC3)C 27a_100011215254_200010272110 [0,0,0,0,1,0|0,1,0]=2 61 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)NC3CCCCC3)C 27a_100000182618_200010272110 [0,0,0,0,0,1|2,0,0]=3 62 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)NC3CCCOC3)C 27a_100000719290_200010272110 [0,0,0,0,0,1|3,0,0]=4 63 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)NC3CCOCC3)C 27a_100000741149_200010272110 [0,0,0,0,0,1|1,0,0]=2 64 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)NC3CCSCC3)C 27a_100000748639_200010272110 [0,0,0,0,0,1|1,1,0]=3 65 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)SC3CCCCC3)C 62a_200010272110_100000210327 [0,0,0,0,0,1|2,0,0]=3 66 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)SC3CCCOC3)C 62a_200010272110_100000693364 [0,0,0,0,0,1|3,0,0]=4 67 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)SC3CCOCC3)C 62a_200010272110_100011324220 [0,0,0,0,0,1|1,0,0]=2 68 B21R3.444463 CC1(CC(=O)c2sc(nc2C1)SC3CCSCC3)C 62a_200010272110_100000069128 [0,0,0,0,0,1|1,1,0]=3 69 B21R3.40342830 CC1(CC(=O)c2sc(nc2C1)C3=CCCCCC3)C 271570a_200009888920_200010272110 [0,0,0,0,0,1|2,0,0]=3 70 B21R3.40342830 CC1(CC(=O)c2sc(nc2C1)N3CCCCCC3)C 27a_100000185865_200010272110 [0,0,0,0,0,1|1,0,0]=2 71 B21R3.40342830 CC1(CC(=O)c2sc(nc2C1)N3CCCOCC3)C 27a_100000685342_200010272110 [0,0,0,0,0,1|0,0,0]=1 72 B18R2.3766 CC(C)C[C@H](N)c1cnc(s1)N2CCOCC2 271570a_100015190218_100012356742 [1,0,1,0,0,0|1,0,1]=4 73 B18R2.3766 CC(C)NC(=O)c1ccc(s1)N2CCOCC2 27a_100015191051_100000152625 [1,0,1,0,0,0|2,0,0]=4 74 B18R2.32253 CC(C)(C)C=Cc1cnc(s1)N2CCOCC2 271570a_100102527731_100012356742 [1,0,1,0,0,0|0,0,1]=3 75 B18R2.32253 CC(C)(C)C=Cc1nnc(s1)N2CCOCC2 271570a_100102527731_100012111909 [1,0,1,0,0,0|1,0,1]=4 76 B18R2.32253 CC(C)(C)CNc1nnc(s1)N2CCOCC2 27a_100000743828_100012111909 [1,0,1,0,0,0|2,0,0]=4 77 B18R2.32253 CC(C)(C)CSc1cnc(s1)N2CCOCC2 62a_100011219605_100012356742 [1,0,1,0,0,0|1,0,0]=3 78 B18R2.32253 CC(C)(C)CSc1cnc(s1)N2CCOCC2 62a_100012356742_100011219605 [1,0,1,0,0,0|1,0,0]=3 79 B18R2.32253 CC(C)(C)CSc1nnc(s1)N2CCOCC2 62a_100011219605_100012111909 [1,0,1,0,0,0|2,0,0]=4 80 B18R2.32253 CC(C)(C)CSc1nnc(s1)N2CCOCC2 62a_100012111909_100011219605 [1,0,1,0,0,0|2,0,0]=4 81 B18R2.32253 CC(C)(F)CSc1cnc(s1)N2CCOCC2 62a_100011997219_100012356742 [1,0,1,0,0,0|2,0,0]=4 82 B18R2.32253 CC(C)(F)CSc1cnc(s1)N2CCOCC2 62a_100012356742_100011997219 [1,0,1,0,0,0|2,0,0]=4 83 B18R2.32253 CC(C)(O)C=Cc1cnc(s1)N2CCOCC2 271570a_200016258132_100012356742 [1,0,1,0,0,0|1,0,1]=4 84 B18R2.32253 CC(C)(O)CSc1cnc(s1)N2CCOCC2 62a_100000764493_100012356742 [1,0,1,0,0,0|2,0,0]=4 85 B18R2.32253 CC(C)(O)CSc1cnc(s1)N2CCOCC2 62a_100012356742_100000764493 [1,0,1,0,0,0|2,0,0]=4 86 B18R2.32253 C[N+](C)(C)CSc1cnc(s1)N2CCOCC2 62a_100012356742_200000036245 [1,0,1,0,0,0|2,0,0]=4 87 B18R2.32253 C[N+](C)(C)CSc1cnc(s1)N2CCOCC2 62a_200000036245_100012356742 [1,0,1,0,0,0|2,0,0]=4 88 B18R2.32253 C[Si](C)(C)CSc1cnc(s1)N2CCOCC2 62a_100000037933_100012356742 [1,0,1,0,0,0|1,1,0]=4 89 B18R2.32253 C[Si](C)(C)CSc1cnc(s1)N2CCOCC2 62a_100012356742_100000037933 [1,0,1,0,0,0|1,1,0]=4 90 B18R2.8107 CCOC(=O)c1sc(nc1C)N2CCOCC2 27a_100015191051_100000689613 [1,0,1,0,0,0|1,0,0]=3 91 B18R2.8107 CCOC(=O)c1sc(nc1C)N2CCSCC2 27a_100000737611_100000689613 [1,0,1,0,0,0|1,1,0]=4 92 B18R2.5780 CCC(C)(C)Sc1csc(n1)N2CCOCC2 62a_100000032637_100000697515 [1,0,1,0,0,0|1,0,1]=4 93 B18R2.5780 CCC(C)(C)Sc1csc(n1)N2CCOCC2 62a_100000697515_100000032637 [1,0,1,0,0,0|1,0,1]=4 94 B18R2.1641035 C#CCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000225692_200010272110 [1,0,1,0,0,0|0,0,2]=4 95 B18R2.1641035 CCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000747261_200010272110 [1,0,1,0,0,0|0,0,0]=2 96 B18R2.1641035 CN(CCO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000210263_200010272110 [1,0,1,0,0,0|0,0,0]=2 97 B18R2.2552283 C#CCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000755551_200010272110 [1,0,1,0,0,0|0,0,2]=4 98 B18R2.2552283 C=CCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100015191253_200010272110 [1,0,1,0,0,0|0,0,2]=4 99 B18R2.2552283 CC#CCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000685387_200010272110 [1,0,1,0,0,0|0,0,2]=4 100 B18R2.2552283 CC1(CC(=O)c2sc(nc2C1)NCCC#N)C 27a_100000720768_200010272110 [1,0,1,0,0,0|1,0,1]=4 101 B18R2.2552283 CC1(CC(=O)c2sc(nc2C1)NCCCF)C 27a_100015189416_200010272110 [1,0,1,0,0,0|1,0,0]=3 102 B18R2.2552283 CC1(CC(=O)c2sc(nc2C1)NCCCO)C 27a_100000182051_200010272110 [1,0,1,0,0,0|1,0,0]=3 103 B18R2.2552283 CC1(CC(=O)c2sc(nc2C1)SCCCF)C 62a_200010272110_100011934791 [1,0,1,0,0,0|2,0,0]=4 104 B18R2.2552283 CC1(CC(=O)c2sc(nc2C1)SCCCO)C 62a_200010272110_100011215043 [1,0,1,0,0,0|2,0,0]=4 105 B18R2.2552283 CCCC=Cc1nc2c(s1)C(=O)CC(C2)(C)C 271570a_100016258520_200010272110 [1,0,1,0,0,0|1,0,1]=4 106 B18R2.2552283 CCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000102301_200010272110 [1,0,1,0,0,0|0,0,0]=2 107 B18R2.2552283 CCCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000210210 [1,0,1,0,0,0|1,0,0]=3 108 B18R2.2552283 CCOC=Cc1nc2c(s1)C(=O)CC(C2)(C)C 271570a_100016256518_200010272110 [1,0,1,0,0,0|0,0,2]=4 109 B18R2.2552283 CCOCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000739092 [1,0,1,0,0,0|1,0,0]=3 110 B18R2.2552283 COCC=Cc1nc2c(s1)C(=O)CC(C2)(C)C 271570a_100016286323_200010272110 [1,0,1,0,0,0|1,0,1]=4 111 B18R2.2552283 COCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000209980_200010272110 [1,0,1,0,0,0|0,0,0]=2 112 B18R2.2552283 COCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000233755 [1,0,1,0,0,0|1,0,0]=3 113 B18R2.2552283 CSCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100020590264_200010272110 [1,0,1,0,0,0|0,1,0]=3 114 B18R2.2552283 CSCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000751147 [1,0,1,0,0,0|1,1,0]=4 115 B18R2.1337268 CCN(CC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000724800_200010272110 [1,0,1,0,0,0|0,0,0]=2 116 B18R3.5893 O=C1CCCc2c1sc(n2)C3=CCOCC3 271570a_100000070234_100010177431 [2,0,0,0,0,0|1,0,1]=4 117 B18R3.5893 O=C1CCCc2c1sc(n2)N3CC=CCC3 27a_100000698166_100010177431 [2,0,0,0,0,0|1,0,1]=4 118 B18R3.5893 O=C1CCCc2c1sc(n2)N3CCOCC3 27a_100015191051_100010177431 [2,0,0,0,0,0|0,0,0]=2 119 B18R3.5893 O=C1CCCc2c1sc(n2)N3CCSCC3 27a_100000737611_100010177431 [2,0,0,0,0,0|0,1,0]=3 120 B18R3.5893 O=C1NCCc2c1sc(n2)N3CCOCC3 27a_100015191051_200010191850 [2,0,0,0,0,0|1,0,0]=3 121 B18R3.5893 O=C1NCCc2c1sc(n2)N3CCSCC3 27a_100000737611_200010191850 [2,0,0,0,0,0|1,1,0]=4 122 B20R2.603199 CC(C)CCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000742789_200010272110 [0,1,1,0,0,0|1,0,0]=3 123 B20R2.603199 CN(C)CCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000225618_200010272110 [0,1,1,0,0,0|1,0,0]=3 124 B20R2.603199 CN(CCC(=O)N)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000730477_200010272110 [0,1,1,0,0,0|2,0,0]=4 125 B20R2.4527162 CCCCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000223495_200010272110 [0,1,1,0,0,0|1,0,0]=3 126 B20R2.4527162 CN(CCCCO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000717598_200010272110 [0,1,1,0,0,0|1,0,0]=3 127 B20R2.4527162 COCCCN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000224831_200010272110 [0,1,1,0,0,0|0,0,0]=2 128 B20R2.12154154 CCC(C)CN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000753921_200010272110 [0,1,1,0,0,0|1,0,0]=3 129 B20R2.12154154 CN(CC(O)CO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100011216503_200010272110 [0,1,1,0,0,0|2,0,0]=4 130 B20R2.12154154 CNC(=O)CN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000189611_200010272110 [0,1,1,0,0,0|1,0,1]=4 131 B20R2.12154154 COC(=O)CN(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000198492_200010272110 [0,1,1,0,0,0|0,0,1]=3 132 B20R2.16837001 CCCCN(CC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000207695_200010272110 [0,1,1,0,0,0|1,0,0]=3 133 B20R2.16837001 CCN(CCC#N)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000226048_200010272110 [0,1,1,0,0,0|2,0,0]=4 134 B20R2.16837001 CCN(CCOC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000731262_200010272110 [0,1,1,0,0,0|0,0,0]=2 135 B20R2.18627831 CC(CCO)N(C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000731037_200010272110 [0,1,1,0,0,0|2,0,0]=4 136 B20R2.16096547 C=C(C)CN(CC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000211296_200010272110 [0,1,1,0,0,0|1,0,1]=4 137 B20R2.16096547 CCN(CC(C)C)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000738554_200010272110 [0,1,1,0,0,0|1,0,0]=3 138 B20R2.16096547 CCN(C[C@H](C)O)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000729506_200010272110 [0,1,1,0,0,0|0,0,0]=2 139 B20R2.31515689 CC1(CC(=O)c2sc(nc2C1)N(CCO)CCO)C 27a_100000210587_200010272110 [0,1,1,0,0,0|0,0,0]=2 140 B20R2.31515689 CCCN(CCC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000210455_200010272110 [0,1,1,0,0,0|1,0,0]=3 141 B20R2.31515689 CCCN(CCO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000211420_200010272110 [0,1,1,0,0,0|0,0,0]=2 142 B20R2.31755018 C=CCN(c1nc2c(s1)C(=O)CC(C2)(C)C)C(C)C 27a_100000742772_200010272110 [0,1,1,0,0,0|1,0,1]=4 143 B20R2.31755018 CC(C)N(CCO)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000224655_200010272110 [0,1,1,0,0,0|0,0,0]=2 144 B20R2.31755018 CCCN(c1nc2c(s1)C(=O)CC(C2)(C)C)C(C)C 27a_106256033942_200010272110 [0,1,1,0,0,0|1,0,0]=3 145 B20R2.33925646 CCC(C)N(CC)c1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000732650_200010272110 [0,1,1,0,0,0|1,0,0]=3 146 B20R2.33925646 CCN(c1nc2c(s1)C(=O)CC(C2)(C)C)C(C)CO 27a_100000731049_200010272110 [0,1,1,0,0,0|0,0,0]=2 147 B20R2.603198 CC(=O)NCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000209853_200010272110 [0,1,1,0,0,0|1,0,1]=4 148 B20R2.603198 CC(=O)OCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100009814007 [0,1,1,0,0,0|1,0,1]=4 149 B20R2.603198 CC(C)CCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_200000737386_200010272110 [0,1,1,0,0,0|1,0,0]=3 150 B20R2.603198 CC(C)CCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100011214892 [0,1,1,0,0,0|2,0,0]=4 151 B20R2.603198 CC(C)OCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000701111_200010272110 [0,1,1,0,0,0|0,0,0]=2 152 B20R2.603198 CC(C)OCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000211751 [0,1,1,0,0,0|1,0,0]=3 153 B20R2.603198 CC(C)SCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000731138_200010272110 [0,1,1,0,0,0|0,1,0]=3 154 B20R2.603198 CC(C)SCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000730970 [0,1,1,0,0,0|1,1,0]=4 155 B20R2.603198 CC(O)CCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_200000718107 [0,1,1,0,0,0|2,0,0]=4 156 B20R2.603198 CN(C)CCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_102531767803_200010272110 [0,1,1,0,0,0|2,0,0]=4 157 B20R2.603198 CS(=O)CCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_200000753449_200010272110 [0,1,1,0,0,0|2,0,0]=4 158 B20R2.3884271 CCCCC(C)Nc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000126638_200010272110 [0,1,1,0,0,0|1,0,0]=3 159 B20R2.3884271 CCCCC(C)Sc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_200011215066 [0,1,1,0,0,0|2,0,0]=4 160 B20R2.12323446 CCCC(C)CSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100011216630 [0,1,1,0,0,0|2,0,0]=4 161 B20R2.12323446 CCNC(=O)CNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100016988866_200010272110 [0,1,1,0,0,0|1,0,1]=4 162 B20R2.12323446 CCOC(=O)CSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000188475 [0,1,1,0,0,0|1,0,1]=4 163 B20R2.12323446 COCC(O)CNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000756049_200010272110 [0,1,1,0,0,0|2,0,0]=4 164 B20R2.13416597 CC(CO)CCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_106354213184_200010272110 [0,1,1,0,0,0|2,0,0]=4 165 B20R2.13416597 CCC(C)CCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100020591266_200010272110 [0,1,1,0,0,0|1,0,0]=3 166 B20R2.13416597 CNC(=O)CCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000738227_200010272110 [0,1,1,0,0,0|2,0,0]=4 167 B20R2.13862714 C#CCCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000706060_200010272110 [0,1,1,0,0,0|1,0,1]=4 168 B20R2.13862714 C#CCOCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000700922_200010272110 [0,1,1,0,0,0|0,0,1]=3 169 B20R2.13862714 C#CCOCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100010402529 [0,1,1,0,0,0|1,0,1]=4 170 B20R2.13862714 C=CCCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000703577_200010272110 [0,1,1,0,0,0|1,0,1]=4 171 B20R2.13862714 C=COCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000210767_200010272110 [0,1,1,0,0,0|0,0,2]=4 172 B20R2.13862714 CC/C=C\CCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100015370543 [0,1,1,0,0,0|2,0,0]=4 173 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)NCCCCC#N)C 27a_100000751965_200010272110 [0,1,1,0,0,0|1,0,1]=4 174 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)NCCCCCO)C 27a_100000762737_200010272110 [0,1,1,0,0,0|1,0,0]=3 175 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)NCCOCCO)C 27a_100000211614_200010272110 [0,1,1,0,0,0|0,0,0]=2 176 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)NCCSCCO)C 27a_100011219999_200010272110 [0,1,1,0,0,0|0,1,0]=3 177 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)SCCCCCF)C 62a_200010272110_100000729378 [0,1,1,0,0,0|2,0,0]=4 178 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)SCCCCCO)C 62a_200010272110_100000746330 [0,1,1,0,0,0|2,0,0]=4 179 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)SCCOCC#N)C 62a_200010272110_200000047693 [0,1,1,0,0,0|1,0,1]=4 180 B20R2.13862714 CC1(CC(=O)c2sc(nc2C1)SCCOCCO)C 62a_200010272110_100011215305 [0,1,1,0,0,0|1,0,0]=3 181 B20R2.13862714 CCCCCC=Cc1nc2c(s1)C(=O)CC(C2)(C)C 271570a_100000062253_200010272110 [0,1,1,0,0,0|2,0,0]=4 182 B20R2.13862714 CCCCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000210581_200010272110 [0,1,1,0,0,0|1,0,0]=3 183 B20R2.13862714 CCCCCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000210757 [0,1,1,0,0,0|2,0,0]=4 184 B20R2.13862714 CCCCOCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100011995733 [0,1,1,0,0,0|2,0,0]=4 185 B20R2.13862714 CCCOCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100161115042_200010272110 [0,1,1,0,0,0|0,0,0]=2 186 B20R2.13862714 CCCOCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100011215938 [0,1,1,0,0,0|1,0,0]=3 187 B20R2.13862714 CCCSCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100020603323_200010272110 [0,1,1,0,0,0|0,1,0]=3 188 B20R2.13862714 CCOCCCNc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000210961_200010272110 [0,1,1,0,0,0|0,0,0]=2 189 B20R2.13862714 CCOCCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100012232248 [0,1,1,0,0,0|1,0,0]=3 190 B20R2.13862714 COCCCCSc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100000730899 [0,1,1,0,0,0|2,0,0]=4 191 B20R3.12342492 CC1(CC(=O)c2sc(nc2C1)N3CCC(C3)O)C 27a_100011215560_200010272110 [0,1,0,0,1,0|0,0,0]=2 192 B20R3.12342492 CC1(CC(=O)c2sc(nc2C1)N3CC[C@@H](C3)F)C 27a_100015203821_200010272110 [0,1,0,0,1,0|0,0,0]=2 193 B20R3.12342492 CC1(CC(=O)c2sc(nc2C1)N3CNC(=O)C3)C 27a_200000708111_200010272110 [0,1,0,0,1,0|1,0,1]=4 194 B20R3.12342492 C[C@@H]1CCN(C1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100016987628_200010272110 [0,1,0,0,1,0|0,0,0]=2 195 B20R3.13974949 CC1SCCN1c2nc3c(s2)C(=O)CC(C3)(C)C 27a_200011216479_200010272110 [0,1,0,0,1,0|0,1,0]=3 196 B20R3.13974949 C[C@@H]1CCCN1c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100015189458_200010272110 [0,1,0,0,1,0|0,0,0]=2 197 B20R3.13974949 C[C@H]1CCCN1c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100020605311_200010272110 [0,1,0,0,1,0|0,0,0]=2 198 B20R3.20634932 CN(c1nc2c(s1)C(=O)CC(C2)(C)C)C3CCC3 27a_100000758072_200010272110 [0,0,1,1,0,0|1,0,0]=3 199 B20R3.20634935 CN(CC1CC1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000741881_200010272110 [0,0,1,1,0,0|1,0,0]=3 200 B20R3.29551599 CC1(CC(=O)c2sc(nc2C1)N3CC(C3)C#N)C 27a_100015195279_200010272110 [0,0,1,1,0,0|2,0,0]=4 201 B20R3.29551599 CC1(CC(=O)c2sc(nc2C1)N3CC(C3)CF)C 27a_100010363649_200010272110 [0,0,1,1,0,0|2,0,0]=4 202 B20R3.29551599 CC1(CC(=O)c2sc(nc2C1)N3CC(C3)CO)C 27a_100016987283_200010272110 [0,0,1,1,0,0|2,0,0]=4 203 B20R3.29551599 CCC1CN(C1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100015205115_200010272110 [0,0,1,1,0,0|1,0,0]=3 204 B20R3.29551599 COC1CN(C1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100000755009_200010272110 [0,0,1,1,0,0|0,0,0]=2 205 B20R3.29551599 CSC1CN(C1)c2nc3c(s2)C(=O)CC(C3)(C)C 27a_100016990038_200010272110 [0,0,1,1,0,0|0,1,0]=3 206 B20R3.38877454 CCN(c1nc2c(s1)C(=O)CC(C2)(C)C)C3CC3 27a_100000738653_200010272110 [0,0,1,1,0,0|1,0,0]=3 207 B20R3.54544117 C[C@H]1[C@H](CN1c2nc3c(s2)C(=O)CC(C3)(C)C)O 27a_206633788156_200010272110 [0,0,1,1,0,0|0,0,0]=2 208 B20R3.4720679 CC1(CC(=O)c2sc(nc2C1)NC3CC=CC3)C 27a_100015188752_200010272110 [0,0,1,1,0,0|1,0,1]=4 209 B20R3.4720679 CC1(CC(=O)c2sc(nc2C1)NC3CCCC3)C 27a_100000211070_200010272110 [0,0,1,1,0,0|1,0,0]=3 210 B20R3.4720679 CC1(CC(=O)c2sc(nc2C1)N[C@@H]3CCOC3)C 27a_200015188469_200010272110 [0,0,1,1,0,0|0,0,0]=2 211 B20R3.4720679 CC1(CC(=O)c2sc(nc2C1)N[C@H]3CCOC3)C 27a_100015188467_200010272110 [0,0,1,1,0,0|0,0,0]=2 212 B20R3.4720679 CC1(CC(=O)c2sc(nc2C1)SC3CCCC3)C 62a_200010272110_100000179811 [0,0,1,1,0,0|2,0,0]=4 213 B20R3.4720679 CC1(CC(=O)c2sc(nc2C1)SC3CCOC3)C 62a_200010272110_100000690089 [0,0,1,1,0,0|1,0,0]=3 214 B20R3.20634978 CC1(CC(=O)c2sc(nc2C1)NCCC3CC3)C 27a_100000764129_200010272110 [0,0,1,1,0,0|1,0,0]=3 215 B20R3.20634978 CC1(CC(=O)c2sc(nc2C1)SCCC3CC3)C 62a_200010272110_100000764125 [0,0,1,1,0,0|2,0,0]=4 216 B20R3.20635000 CC1(CC(=O)c2sc(nc2C1)NCC3CCC3)C 27a_100000738700_200010272110 [0,0,1,1,0,0|1,0,0]=3 217 B20R3.20635000 CC1(CC(=O)c2sc(nc2C1)NCC3COC3)C 27a_100015281925_200010272110 [0,0,1,1,0,0|2,0,0]=4 218 B20R3.20635000 CC1(CC(=O)c2sc(nc2C1)NC[C@@H]3CCO3)C 27a_100020831831_200010272110 [0,0,1,1,0,0|0,0,0]=2 219 B20R3.20635000 CC1(CC(=O)c2sc(nc2C1)SCC3CCC3)C 62a_200010272110_100000763275 [0,0,1,1,0,0|2,0,0]=4 220 B20R3.20635000 CC1(CC(=O)c2sc(nc2C1)SCC3CCO3)C 62a_200010272110_100000103362 [0,0,1,1,0,0|1,0,0]=3 221 B22R4.94040379 CC1(CC(=O)c2sc(nc2C1)N3C4CCC3CC4)C 27a_100000735658_200010272110 [0,0,0,1,0,1|2,0,0]=4 222 B22R4.94040486 CC1(CC(=O)c2sc(nc2C1)NC3C4C3COC4)C 27a_100000702821_200010272110 [0,0,0,1,0,1|1,0,0]=3 223 B22R4.94040434 CC1(CC(=O)c2sc(nc2C1)N3CC4CCC3C4)C 27a_100000743476_200010272110 [0,1,0,1,0,0|1,0,0]=3 224 B22R4.94040434 CC1(CC(=O)c2sc(nc2C1)N3C[C@H]4C[C@@H]3CO4)C 27a_100016995552_200010272110 [0,1,0,1,0,0|0,0,0]=2 225 B18R3.916554 CC1(CC(=O)c2sc(nc2C1)N3CCC3)C 27a_100000754969_200010272110 [0,0,0,0,2,0|0,0,0]=2 226 B20R2.10827 CN(Cc1cnc(s1)N2CCOCC2)CC(C)(C)C 270004a_100000742839_100000749150 [0,0,1,0,0,1|2,0,0]=4 227 B20R2.10839 CC(C)(C)NC(=O)c1ccc(nc1)N2CCOCC2 27a_100015191051_100000171338 [0,0,1,0,0,1|2,0,0]=4 228 B20R2.10839 CC(C)(C)OC(=O)c1ccc(nc1)N2CCOCC2 27a_100015191051_100011933528 [0,0,1,0,0,1|2,0,0]=4 229 B20R2.10839 CC(C)(C)OC(=O)c1cnc(cn1)N2CCOCC2 27a_100015191051_200000723967 [0,0,1,0,0,1|2,0,0]=4 230 B20R2.10840 CC(C)(C)NC(=O)c1cncc(c1)N2CCOCC2 27a_100015191051_200000154205 [0,0,1,0,0,1|2,0,0]=4 231 B20R2.10840 CC(C)(C)OC(=O)c1ccnc(c1)N2CCOCC2 27a_100015191051_100000697968 [0,0,1,0,0,1|2,0,0]=4 232 B20R2.10840 CC(C)(C)OC(=O)c1ccnc(n1)N2CCOCC2 27a_100015191051_100015855232 [0,0,1,0,0,1|2,0,0]=4 233 B20R2.190006 C=CC[Si](C)(C)CSc1csc(n1)N2CCOCC2 62a_100000046978_100000697515 [0,0,1,0,0,1|1,1,0]=4 234 B20R2.190006 C=CC[Si](C)(C)CSc1csc(n1)N2CCOCC2 62a_100000697515_100000046978 [0,0,1,0,0,1|1,1,0]=4 235 B20R2.7812873 CCCC(CC)Nc1nc2c(s1)C(=O)CC(C2)(C)C 27a_100000747048_200010272110 [0,0,1,0,0,1|2,0,0]=4 236 B20R2.7812873 CCCC(CC)Sc1nc2c(s1)C(=O)CC(C2)(C)C 62a_200010272110_100011219200 [0,0,1,0,0,1|2,0,0]=4