0 B19R2.1013892 CC(C)c1cccc(c1C=C2CCCC2)C(C)C 271570a_100010378317_100009817198 [0,0,0,0,0,0|2,0,1]=3 1 B19R2.1013892 CC(C)c1cccc(c1CN2CCCC2)C(C)C 26a_100000188435_100011218711 [0,0,0,0,0,0|3,0,0]=3 2 B19R2.1013892 CC(C)c1cccc(c1CN2CCSC2)C(C)C 26a_100011215254_100011218711 [0,0,0,0,0,0|4,0,0]=4 3 B19R2.1013892 CC(C)c1cccc(c1NC2CCCC2)C(C)C 2230a_100000210307_100000179811 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.1013892 CC(C)c1cccc(c1NC2CCCC2)C(C)C 34a_100000210307_100000179811 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.1013892 CC(C)c1cccc(c1NC2CCCC2)C(C)C 7a_100000210307_100000179811 [0,0,0,0,0,0|3,0,1]=4 6 B19R2.1013892 CC(C)c1cccc(c1Nc2ncns2)C(C)C 27a_100000210307_100000693119 [0,0,0,0,0,0|3,0,1]=4 7 B19R2.1013892 CC(C)c1cccc(c1Nc2nncs2)C(C)C 27a_100000210307_100000739804 [0,0,0,0,0,0|3,0,1]=4 8 B19R2.1013892 CC(C)c1cccc(c1OC2CCCC2)C(C)C 34a_100011218711_100000179811 [0,0,0,0,0,0|3,0,1]=4 9 B19R2.1013892 CC(C)c1cccc(c1OC2CCCC2)C(C)C 7a_100011218711_100000179811 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.1013892 CC(C)c1cccc(c1SC2CCCC2)C(C)C 62a_100009817198_100000179811 [0,0,0,0,0,0|3,0,1]=4 11 B19R2.1013892 CC(C)c1cccc(c1SC2CCCC2)C(C)C 62a_100011217020_100009817198 [0,0,0,0,0,0|3,0,1]=4 12 B19R2.1013892 CC(C)c1cccc(c1Sc2c[nH]cn2)C(C)C 62a_100000756875_100009817198 [0,0,0,0,0,0|3,0,1]=4 13 B19R2.1013892 CC(C)c1cccc(c1Sc2c[nH]cn2)C(C)C 62a_100009817198_100000756875 [0,0,0,0,0,0|3,0,1]=4 14 B19R2.1013892 CC(C)c1cccc(c1Sc2c[nH]nn2)C(C)C 62a_100009817198_100009819707 [0,0,0,0,0,0|4,0,0]=4 15 B19R2.1013892 CC(C)c1cccc(c1Sc2c[nH]nn2)C(C)C 62a_100009819707_100009817198 [0,0,0,0,0,0|4,0,0]=4 16 B19R2.1013892 CC(C)c1cccc(c1Sc2cc[nH]n2)C(C)C 62a_100000062575_100009817198 [0,0,0,0,0,0|3,0,1]=4 17 B19R2.1013892 CC(C)c1cccc(c1Sc2cc[nH]n2)C(C)C 62a_100009817198_100000062575 [0,0,0,0,0,0|3,0,1]=4 18 B19R2.1013892 CC(C)c1cccc(c1Sc2ccon2)C(C)C 62a_100009817198_100009818083 [0,0,0,0,0,0|3,0,1]=4 19 B19R2.1013892 CC(C)c1cccc(c1Sc2ccon2)C(C)C 62a_100009818083_100009817198 [0,0,0,0,0,0|3,0,1]=4 20 B19R2.1013892 CC(C)c1cccc(c1Sc2ccsn2)C(C)C 62a_100009817198_100009818082 [0,0,0,0,0,0|3,0,1]=4 21 B19R2.1013892 CC(C)c1cccc(c1Sc2ccsn2)C(C)C 62a_100009818082_100009817198 [0,0,0,0,0,0|3,0,1]=4 22 B19R2.1013892 CC(C)c1cccc(c1Sc2cscn2)C(C)C 62a_100000751502_100009817198 [0,0,0,0,0,0|3,0,1]=4 23 B19R2.1013892 CC(C)c1cccc(c1Sc2cscn2)C(C)C 62a_100009817198_100000751502 [0,0,0,0,0,0|3,0,1]=4 24 B19R2.1013892 CC(C)c1cccc(c1Sc2nc[nH]n2)C(C)C 62a_100000761765_100009817198 [0,0,0,0,0,0|2,0,2]=4 25 B19R2.1013892 CC(C)c1cccc(c1Sc2nc[nH]n2)C(C)C 62a_100009817198_100000761765 [0,0,0,0,0,0|2,0,2]=4 26 B19R2.1013892 CC(C)c1cccc(c1Sc2ncc[nH]2)C(C)C 62a_100009817198_100025796157 [0,0,0,0,0,0|1,0,2]=3 27 B19R2.1013892 CC(C)c1cccc(c1Sc2ncc[nH]2)C(C)C 62a_100025796157_100009817198 [0,0,0,0,0,0|1,0,2]=3 28 B19R2.1013892 CC(C)c1cccc(c1Sc2ncco2)C(C)C 62a_100009817198_100011787736 [0,0,0,0,0,0|2,0,2]=4 29 B19R2.1013892 CC(C)c1cccc(c1Sc2ncco2)C(C)C 62a_100011787736_100009817198 [0,0,0,0,0,0|2,0,2]=4 30 B19R2.1013892 CC(C)c1cccc(c1Sc2nccs2)C(C)C 62a_100000211983_100009817198 [0,0,0,0,0,0|2,0,2]=4 31 B19R2.1013892 CC(C)c1cccc(c1Sc2nccs2)C(C)C 62a_100009817198_100000211983 [0,0,0,0,0,0|2,0,2]=4 32 B19R2.1013892 CC(C)c1cccc(c1Sc2ncns2)C(C)C 62a_100000693119_100009817198 [0,0,0,0,0,0|3,0,1]=4 33 B19R2.1013892 CC(C)c1cccc(c1Sc2ncns2)C(C)C 62a_100009817198_100000693119 [0,0,0,0,0,0|3,0,1]=4 34 B19R2.1013892 CC(C)c1cccc(c1Sc2nncs2)C(C)C 62a_100000739804_100009817198 [0,0,0,0,0,0|3,0,1]=4 35 B19R2.1013892 CC(C)c1cccc(c1Sc2nncs2)C(C)C 62a_100009817198_100000739804 [0,0,0,0,0,0|3,0,1]=4 36 B20R2.67541 CC(C)c1cccc(c1CN2CCC(C2)O)C(C)C 26a_100011215560_100011218711 [0,1,0,0,0,0|3,0,0]=4 37 B20R2.67541 CC(C)c1cccc(c1CN2CC[C@@H](C2)F)C(C)C 26a_100015203821_100011218711 [0,1,0,0,0,0|3,0,0]=4 38 B20R2.67541 CC(C)c1cccc(c1CN2CC[C@H](C2)C)C(C)C 26a_100016987628_100011218711 [0,1,0,0,0,0|3,0,0]=4 39 B20R2.67541 Cc1c[nH]c(n1)Sc2c(cccc2C(C)C)C(C)C 62a_100009817198_100161115468 [0,1,0,0,0,0|1,0,2]=4 40 B20R2.67541 Cc1c[nH]c(n1)Sc2c(cccc2C(C)C)C(C)C 62a_100161115468_100009817198 [0,1,0,0,0,0|1,0,2]=4 41 B20R2.93678 CC(C)c1cccc(c1CN2CCC[C@@H]2C)C(C)C 26a_100020605311_100011218711 [0,1,0,0,0,0|3,0,0]=4 42 B20R2.93678 CC(C)c1cccc(c1CN2CCC[C@H]2C)C(C)C 26a_100015189458_100011218711 [0,1,0,0,0,0|3,0,0]=4 43 B20R2.93678 CC(C)c1cccc(c1Nc2ncnn2C)C(C)C 27a_100000210307_100000732653 [0,1,0,0,0,0|2,0,1]=4 44 B20R2.93678 CC(C)c1cccc(c1Sc2nccn2C)C(C)C 62a_100000707724_100009817198 [0,1,0,0,0,0|1,0,2]=4 45 B20R2.93678 CC(C)c1cccc(c1Sc2nccn2C)C(C)C 62a_100009817198_100000707724 [0,1,0,0,0,0|1,0,2]=4 46 B20R2.93678 CC(C)c1cccc(c1Sc2ncnn2C)C(C)C 62a_100000732653_100009817198 [0,1,0,0,0,0|2,0,1]=4 47 B20R2.93678 CC(C)c1cccc(c1Sc2ncnn2C)C(C)C 62a_100009817198_100000732653 [0,1,0,0,0,0|2,0,1]=4 48 B20R2.2232271 CC(C)c1cc(cc(c1CN2CCCC2)C(C)C)Br 26a_100000188435_200010782092 [0,1,0,0,0,0|3,0,0]=4 49 B18R1.43443 CCCC(=O)Nc1c(cccc1C(C)C)C(C)C 11a_100000210307_100000211992 [0,0,1,0,0,0|3,0,0]=4 50 B18R1.43443 CCCC(=O)Nc1c(cccc1C(C)C)C(C)C 1626a_100000210307_100000211992 [0,0,1,0,0,0|3,0,0]=4 51 B18R1.43443 CCCC(=O)Nc1c(cccc1C(C)C)C(C)C 22a_100000210307_100000211992 [0,0,1,0,0,0|3,0,0]=4 52 B18R1.43443 CCCN(C)Cc1c(cccc1C(C)C)C(C)C 26a_100000747261_100011218711 [0,0,1,0,0,0|3,0,0]=4 53 B18R1.43443 CCNC(=O)Nc1c(cccc1C(C)C)C(C)C 2430a_100000210307_100015525214 [0,0,1,0,0,0|2,0,0]=3 54 B18R1.43443 CCNC(=O)Nc1c(cccc1C(C)C)C(C)C 512a_100000210307_100015525214 [0,0,1,0,0,0|2,0,0]=3 55 B18R1.43443 CNNC(=O)Nc1c(cccc1C(C)C)C(C)C 512a_100000210307_100016993582 [0,0,1,0,0,0|3,0,0]=4 56 B18R2.553486 CC(C)c1cccc(c1C2=CCCC2)C(C)C 271570a_100000089523_100009817198 [0,0,0,0,1,0|2,0,0]=3 57 B18R2.553486 CC(C)c1cccc(c1C2=CCOC2)C(C)C 271570a_100009872500_100009817198 [0,0,0,0,1,0|3,0,0]=4 58 B18R2.553486 CC(C)c1cccc(c1C2=COCC2)C(C)C 271570a_100000118173_100009817198 [0,0,0,0,1,0|3,0,0]=4 59 B18R2.553486 CC(C)c1cccc(c1c2c[nH]cn2)C(C)C 271570a_100000070733_100000756875 [0,0,0,0,1,0|2,0,1]=4 60 B18R2.553486 CC(C)c1cccc(c1c2cc[nH]n2)C(C)C 271570a_100000062414_100009817198 [0,0,0,0,1,0|2,0,1]=4 61 B18R2.553486 CC(C)c1cccc(c1c2cc[nH]n2)C(C)C 271570a_100000070733_100000062575 [0,0,0,0,1,0|2,0,1]=4 62 B18R2.553486 CC(C)c1cccc(c1c2ccsn2)C(C)C 271570a_100000070733_100009818082 [0,0,0,0,1,0|2,0,1]=4 63 B18R2.553486 CC(C)c1cccc(c1c2cscn2)C(C)C 271570a_100000070733_100000751502 [0,0,0,0,1,0|2,0,1]=4 64 B18R2.553486 CC(C)c1cccc(c1c2nc[nH]n2)C(C)C 271570a_100000070733_100000761765 [0,0,0,0,1,0|1,0,2]=4 65 B18R2.553486 CC(C)c1cccc(c1c2ncc[nH]2)C(C)C 271570a_100000070733_100025796157 [0,0,0,0,1,0|0,0,2]=3 66 B18R2.553486 CC(C)c1cccc(c1c2ncc[nH]2)C(C)C 271570a_100016988920_100009817198 [0,0,0,0,1,0|0,0,2]=3 67 B18R2.553486 CC(C)c1cccc(c1c2ncco2)C(C)C 271570a_100000070733_100011787736 [0,0,0,0,1,0|1,0,2]=4 68 B18R2.553486 CC(C)c1cccc(c1c2nccs2)C(C)C 271570a_100000070733_100000211983 [0,0,0,0,1,0|1,0,2]=4 69 B18R2.553486 CC(C)c1cccc(c1c2ncns2)C(C)C 271570a_100000070733_100000693119 [0,0,0,0,1,0|2,0,1]=4 70 B18R2.553486 CC(C)c1cccc(c1c2nncs2)C(C)C 271570a_100000070733_100000739804 [0,0,0,0,1,0|2,0,1]=4 71 B18R2.1390936 CC(C)c1cccc(c1CN2CCC2)C(C)C 26a_100000754969_100011218711 [0,0,0,0,1,0|2,0,0]=3 72 B18R2.1390936 CC(C)c1cccc(c1NC2CCC2)C(C)C 34a_100000210307_100000749161 [0,0,0,0,1,0|2,0,1]=4 73 B18R2.1390936 CC(C)c1cccc(c1OC2CCC2)C(C)C 34a_100011218711_100000749161 [0,0,0,0,1,0|2,0,1]=4 74 B18R2.1390936 CC(C)c1cccc(c1SC2CCC2)C(C)C 62a_100009817198_100000749161 [0,0,0,0,1,0|2,0,1]=4 75 B20R2.746601 CC(C)c1cccc(c1CN2CCCOC2)C(C)C 26a_100000131196_100011218711 [0,0,0,0,0,1|3,0,0]=4 76 B20R2.746601 CC(C)c1cccc(c1CN2CCOCC2)C(C)C 26a_100015191051_100011218711 [0,0,0,0,0,1|3,0,0]=4 77 B20R2.746601 CC(C)c1cccc(c1CN2CCSCC2)C(C)C 26a_100000737611_100011218711 [0,0,0,0,0,1|3,0,0]=4 78 B20R2.746692 CC(C)c1cccc(c1NCC2=NCCN2)C(C)C 34a_100000210307_100000737910 [0,0,0,0,0,1|0,0,0]=1 79 B20R2.746692 CC(C)c1cccc(c1NCC2=NCCN2)C(C)C 7a_100000210307_100000737910 [0,0,0,0,0,1|0,0,0]=1 80 B20R2.746692 CC(C)c1cccc(c1NCC2CCCC2)C(C)C 2230a_100000210307_100000740388 [0,0,0,0,0,1|2,0,1]=4 81 B20R2.746692 CC(C)c1cccc(c1NCC2CCCC2)C(C)C 34a_100000210307_100000740388 [0,0,0,0,0,1|2,0,1]=4 82 B20R2.746692 CC(C)c1cccc(c1NCC2CCCC2)C(C)C 7a_100000210307_100000740388 [0,0,0,0,0,1|2,0,1]=4 83 B20R2.746692 CC(C)c1cccc(c1NCC2CCCO2)C(C)C 2230a_100000210307_100000203698 [0,0,0,0,0,1|2,0,1]=4 84 B20R2.746692 CC(C)c1cccc(c1NCC2CCCO2)C(C)C 7a_100000210307_100000203698 [0,0,0,0,0,1|2,0,1]=4 85 B20R2.746692 CC(C)c1cccc(c1NCC2OCCO2)C(C)C 2230a_100000210307_100000755774 [0,0,0,0,0,1|2,0,1]=4 86 B20R2.746692 CC(C)c1cccc(c1NCC2OCCO2)C(C)C 34a_100000210307_100000755774 [0,0,0,0,0,1|2,0,1]=4 87 B20R2.746692 CC(C)c1cccc(c1NCC2OCCO2)C(C)C 7a_100000210307_100000755774 [0,0,0,0,0,1|2,0,1]=4 88 B20R2.746692 CC(C)c1cccc(c1NCc2c[nH]cn2)C(C)C 2230a_100000210307_100000707719 [0,0,0,0,0,1|2,0,1]=4 89 B20R2.746692 CC(C)c1cccc(c1NCc2c[nH]cn2)C(C)C 34a_100000210307_100000707719 [0,0,0,0,0,1|2,0,1]=4 90 B20R2.746692 CC(C)c1cccc(c1NCc2cc[nH]n2)C(C)C 207a_100000210307_100000738523 [0,0,0,0,0,1|2,0,1]=4 91 B20R2.746692 CC(C)c1cccc(c1NCc2ccn[nH]2)C(C)C 2230a_100000210307_100000728653 [0,0,0,0,0,1|2,0,1]=4 92 B20R2.746692 CC(C)c1cccc(c1NCc2ccn[nH]2)C(C)C 34a_100000210307_100000728653 [0,0,0,0,0,1|2,0,1]=4 93 B20R2.746692 CC(C)c1cccc(c1NCc2ccn[nH]2)C(C)C 7a_100000210307_100000728653 [0,0,0,0,0,1|2,0,1]=4 94 B20R2.746692 CC(C)c1cccc(c1NCc2ccon2)C(C)C 2230a_100000210307_100000234950 [0,0,0,0,0,1|2,0,1]=4 95 B20R2.746692 CC(C)c1cccc(c1NCc2ccon2)C(C)C 34a_100000210307_100000234950 [0,0,0,0,0,1|2,0,1]=4 96 B20R2.746692 CC(C)c1cccc(c1NCc2ccon2)C(C)C 7a_100000210307_100000234950 [0,0,0,0,0,1|2,0,1]=4 97 B20R2.746692 CC(C)c1cccc(c1NCc2cnc[nH]2)C(C)C 207a_100000210307_100000742939 [0,0,0,0,0,1|2,0,1]=4 98 B20R2.746692 CC(C)c1cccc(c1NCc2cscn2)C(C)C 207a_100000210307_100000743575 [0,0,0,0,0,1|2,0,1]=4 99 B20R2.746692 CC(C)c1cccc(c1NCc2cscn2)C(C)C 2230a_100000210307_100000205941 [0,0,0,0,0,1|2,0,1]=4 100 B20R2.746692 CC(C)c1cccc(c1NCc2cscn2)C(C)C 270302a_100000210307_100000743575 [0,0,0,0,0,1|2,0,1]=4 101 B20R2.746692 CC(C)c1cccc(c1NCc2cscn2)C(C)C 34a_100000210307_100000205941 [0,0,0,0,0,1|2,0,1]=4 102 B20R2.746692 CC(C)c1cccc(c1NCc2cscn2)C(C)C 7a_100000210307_100000205941 [0,0,0,0,0,1|2,0,1]=4 103 B20R2.746692 CC(C)c1cccc(c1NCc2ncc[nH]2)C(C)C 207a_100000210307_100000743867 [0,0,0,0,0,1|0,0,2]=3 104 B20R2.746692 CC(C)c1cccc(c1NCc2ncc[nH]2)C(C)C 2230a_100000210307_100016991755 [0,0,0,0,0,1|0,0,2]=3 105 B20R2.746692 CC(C)c1cccc(c1NCc2ncc[nH]2)C(C)C 34a_100000210307_100016991755 [0,0,0,0,0,1|0,0,2]=3 106 B20R2.746692 CC(C)c1cccc(c1NCc2ncc[nH]2)C(C)C 7a_100000210307_100000753453 [0,0,0,0,0,1|0,0,2]=3 107 B20R2.746692 CC(C)c1cccc(c1NCc2ncco2)C(C)C 2230a_100000210307_103436540062 [0,0,0,0,0,1|1,0,2]=4 108 B20R2.746692 CC(C)c1cccc(c1NCc2ncco2)C(C)C 34a_100000210307_103436540062 [0,0,0,0,0,1|1,0,2]=4 109 B20R2.746692 CC(C)c1cccc(c1NCc2ncco2)C(C)C 7a_100000210307_103436540062 [0,0,0,0,0,1|1,0,2]=4 110 B20R2.746692 CC(C)c1cccc(c1NCc2nccs2)C(C)C 207a_100000210307_100000750902 [0,0,0,0,0,1|1,0,2]=4 111 B20R2.746692 CC(C)c1cccc(c1NCc2nccs2)C(C)C 2230a_100000210307_100015184050 [0,0,0,0,0,1|1,0,2]=4 112 B20R2.746692 CC(C)c1cccc(c1NCc2nccs2)C(C)C 270302a_100000210307_100000750902 [0,0,0,0,0,1|1,0,2]=4 113 B20R2.746692 CC(C)c1cccc(c1NCc2nccs2)C(C)C 34a_100000210307_100015184050 [0,0,0,0,0,1|1,0,2]=4 114 B20R2.746692 CC(C)c1cccc(c1NCc2nccs2)C(C)C 7a_100000210307_100015184050 [0,0,0,0,0,1|1,0,2]=4 115 B20R2.746692 CC(C)c1cccc(c1NCc2ncon2)C(C)C 34a_100000210307_100000233494 [0,0,0,0,0,1|1,0,2]=4 116 B20R2.746692 CC(C)c1cccc(c1NCc2nnn[nH]2)C(C)C 34a_100000210307_100000765167 [0,0,0,0,0,1|2,0,0]=3 117 B20R2.746692 CC(C)c1cccc(c1NCc2nnn[nH]2)C(C)C 7a_100000210307_100000765167 [0,0,0,0,0,1|2,0,0]=3 118 B20R2.746692 CC(C)c1cccc(c1OCC2=NCCN2)C(C)C 34a_100011218711_100000737910 [0,0,0,0,0,1|0,0,0]=1 119 B20R2.746692 CC(C)c1cccc(c1OCC2=NCCN2)C(C)C 7a_100011218711_100000737910 [0,0,0,0,0,1|0,0,0]=1 120 B20R2.746692 CC(C)c1cccc(c1OCC2CCCC2)C(C)C 34a_100011218711_100000740388 [0,0,0,0,0,1|2,0,1]=4 121 B20R2.746692 CC(C)c1cccc(c1OCC2CCCC2)C(C)C 7a_100011218711_100000740388 [0,0,0,0,0,1|2,0,1]=4 122 B20R2.746692 CC(C)c1cccc(c1OCC2CCCO2)C(C)C 7a_100011218711_100000203698 [0,0,0,0,0,1|2,0,1]=4 123 B20R2.746692 CC(C)c1cccc(c1OCC2OCCO2)C(C)C 34a_100011218711_100000755774 [0,0,0,0,0,1|2,0,1]=4 124 B20R2.746692 CC(C)c1cccc(c1OCC2OCCO2)C(C)C 7a_100011218711_100000755774 [0,0,0,0,0,1|2,0,1]=4 125 B20R2.746692 CC(C)c1cccc(c1OCc2c[nH]cn2)C(C)C 34a_100011218711_100000707719 [0,0,0,0,0,1|2,0,1]=4 126 B20R2.746692 CC(C)c1cccc(c1OCc2ccn[nH]2)C(C)C 34a_100011218711_100000728653 [0,0,0,0,0,1|2,0,1]=4 127 B20R2.746692 CC(C)c1cccc(c1OCc2ccn[nH]2)C(C)C 7a_100011218711_100000728653 [0,0,0,0,0,1|2,0,1]=4 128 B20R2.746692 CC(C)c1cccc(c1OCc2ccon2)C(C)C 34a_100011218711_100000234950 [0,0,0,0,0,1|2,0,1]=4 129 B20R2.746692 CC(C)c1cccc(c1OCc2ccon2)C(C)C 7a_100011218711_100000234950 [0,0,0,0,0,1|2,0,1]=4 130 B20R2.746692 CC(C)c1cccc(c1OCc2cscn2)C(C)C 34a_100011218711_100000205941 [0,0,0,0,0,1|2,0,1]=4 131 B20R2.746692 CC(C)c1cccc(c1OCc2cscn2)C(C)C 7a_100011218711_100000205941 [0,0,0,0,0,1|2,0,1]=4 132 B20R2.746692 CC(C)c1cccc(c1OCc2ncc[nH]2)C(C)C 34a_100011218711_100016991755 [0,0,0,0,0,1|0,0,2]=3 133 B20R2.746692 CC(C)c1cccc(c1OCc2ncc[nH]2)C(C)C 7a_100011218711_100000753453 [0,0,0,0,0,1|0,0,2]=3 134 B20R2.746692 CC(C)c1cccc(c1OCc2ncco2)C(C)C 34a_100011218711_103436540062 [0,0,0,0,0,1|1,0,2]=4 135 B20R2.746692 CC(C)c1cccc(c1OCc2ncco2)C(C)C 7a_100011218711_103436540062 [0,0,0,0,0,1|1,0,2]=4 136 B20R2.746692 CC(C)c1cccc(c1OCc2nccs2)C(C)C 34a_100011218711_100015184050 [0,0,0,0,0,1|1,0,2]=4 137 B20R2.746692 CC(C)c1cccc(c1OCc2nccs2)C(C)C 7a_100011218711_100015184050 [0,0,0,0,0,1|1,0,2]=4 138 B20R2.746692 CC(C)c1cccc(c1OCc2ncon2)C(C)C 34a_100011218711_100000233494 [0,0,0,0,0,1|1,0,2]=4 139 B20R2.746692 CC(C)c1cccc(c1OCc2nnn[nH]2)C(C)C 34a_100011218711_100000765167 [0,0,0,0,0,1|2,0,0]=3 140 B20R2.746692 CC(C)c1cccc(c1OCc2nnn[nH]2)C(C)C 7a_100011218711_100000765167 [0,0,0,0,0,1|2,0,0]=3 141 B20R2.746692 CC(C)c1cccc(c1SCC2=NCCN2)C(C)C 62a_100000737910_100009817198 [0,0,0,0,0,1|0,0,0]=1 142 B20R2.746692 CC(C)c1cccc(c1SCC2=NCCN2)C(C)C 62a_100009817198_100000737910 [0,0,0,0,0,1|0,0,0]=1 143 B20R2.746692 CC(C)c1cccc(c1SCC2CCCO2)C(C)C 62a_100000203698_100009817198 [0,0,0,0,0,1|2,0,1]=4 144 B20R2.746692 CC(C)c1cccc(c1SCC2CCCO2)C(C)C 62a_100009817198_100000203698 [0,0,0,0,0,1|2,0,1]=4 145 B20R2.746692 CC(C)c1cccc(c1SCC2OCCO2)C(C)C 62a_100000755774_100009817198 [0,0,0,0,0,1|2,0,1]=4 146 B20R2.746692 CC(C)c1cccc(c1SCC2OCCO2)C(C)C 62a_100009817198_100000755774 [0,0,0,0,0,1|2,0,1]=4 147 B20R2.746692 CC(C)c1cccc(c1SCc2c[nH]cn2)C(C)C 62a_100000707719_100009817198 [0,0,0,0,0,1|2,0,1]=4 148 B20R2.746692 CC(C)c1cccc(c1SCc2c[nH]cn2)C(C)C 62a_100009817198_100000707719 [0,0,0,0,0,1|2,0,1]=4 149 B20R2.746692 CC(C)c1cccc(c1SCc2ccn[nH]2)C(C)C 62a_100000728653_100009817198 [0,0,0,0,0,1|2,0,1]=4 150 B20R2.746692 CC(C)c1cccc(c1SCc2ccn[nH]2)C(C)C 62a_100009817198_100000728653 [0,0,0,0,0,1|2,0,1]=4 151 B20R2.746692 CC(C)c1cccc(c1SCc2ccon2)C(C)C 62a_100000234950_100009817198 [0,0,0,0,0,1|2,0,1]=4 152 B20R2.746692 CC(C)c1cccc(c1SCc2ccon2)C(C)C 62a_100009817198_100000234950 [0,0,0,0,0,1|2,0,1]=4 153 B20R2.746692 CC(C)c1cccc(c1SCc2cscn2)C(C)C 62a_100000205941_100009817198 [0,0,0,0,0,1|2,0,1]=4 154 B20R2.746692 CC(C)c1cccc(c1SCc2cscn2)C(C)C 62a_100009817198_100000205941 [0,0,0,0,0,1|2,0,1]=4 155 B20R2.746692 CC(C)c1cccc(c1SCc2ncc[nH]2)C(C)C 62a_100009817198_100016991755 [0,0,0,0,0,1|0,0,2]=3 156 B20R2.746692 CC(C)c1cccc(c1SCc2ncc[nH]2)C(C)C 62a_100016991755_100009817198 [0,0,0,0,0,1|0,0,2]=3 157 B20R2.746692 CC(C)c1cccc(c1SCc2ncco2)C(C)C 62a_100009817198_103436540062 [0,0,0,0,0,1|1,0,2]=4 158 B20R2.746692 CC(C)c1cccc(c1SCc2ncco2)C(C)C 62a_103436540062_100009817198 [0,0,0,0,0,1|1,0,2]=4 159 B20R2.746692 CC(C)c1cccc(c1SCc2nccs2)C(C)C 62a_100009817198_100015184050 [0,0,0,0,0,1|1,0,2]=4 160 B20R2.746692 CC(C)c1cccc(c1SCc2nccs2)C(C)C 62a_100015184050_100009817198 [0,0,0,0,0,1|1,0,2]=4 161 B20R2.746692 CC(C)c1cccc(c1SCc2ncon2)C(C)C 62a_100000233494_100009817198 [0,0,0,0,0,1|1,0,2]=4 162 B20R2.746692 CC(C)c1cccc(c1SCc2ncon2)C(C)C 62a_100009817198_100000233494 [0,0,0,0,0,1|1,0,2]=4 163 B20R2.746692 CC(C)c1cccc(c1SCc2nnn[nH]2)C(C)C 62a_100000765167_100009817198 [0,0,0,0,0,1|2,0,0]=3 164 B20R2.746692 CC(C)c1cccc(c1SCc2nnn[nH]2)C(C)C 62a_100009817198_100000765167 [0,0,0,0,0,1|2,0,0]=3 165 B17R1.5178 CCCC=Cc1c(cccc1C(C)C)C(C)C 271570a_100016258520_100009817198 [1,0,1,0,0,0|1,0,1]=4 166 B17R1.5178 CCOC=Cc1c(cccc1C(C)C)C(C)C 271570a_100016256518_100009817198 [1,0,1,0,0,0|1,0,1]=4 167 B17R1.143933 CCC(=O)Nc1c(cccc1C(C)C)C(C)C 11a_100000210307_100000210414 [1,0,1,0,0,0|2,0,0]=4 168 B17R1.143933 CCC(=O)Nc1c(cccc1C(C)C)C(C)C 1626a_100000210307_100000210414 [1,0,1,0,0,0|2,0,0]=4 169 B17R1.143933 CCC(=O)Nc1c(cccc1C(C)C)C(C)C 22a_100000210307_100000210414 [1,0,1,0,0,0|2,0,0]=4 170 B17R1.143933 CCN(C)Cc1c(cccc1C(C)C)C(C)C 26a_100000225621_100011218711 [1,0,1,0,0,0|2,0,0]=4 171 B17R1.143933 CNC(=O)Nc1c(cccc1C(C)C)C(C)C 2430a_100000210307_100102657272 [1,0,1,0,0,0|2,0,0]=4 172 B17R1.143933 CNC(=O)Nc1c(cccc1C(C)C)C(C)C 512a_100000210307_100102657272 [1,0,1,0,0,0|2,0,0]=4 173 B19R1.512890 CC(C)c1cccc(c1NC(=O)NCCF)C(C)C 2430a_100000210307_100000724931 [0,1,1,0,0,0|2,0,0]=4 174 B19R1.512890 CC(C)c1cccc(c1NC(=O)NCCF)C(C)C 512a_100000210307_100000724931 [0,1,1,0,0,0|2,0,0]=4 175 B19R1.512890 CC(C)c1cccc(c1NC(=O)NCCO)C(C)C 2430a_100000210307_100000210304 [0,1,1,0,0,0|2,0,0]=4 176 B19R1.512890 CC(C)c1cccc(c1NC(=O)NCCO)C(C)C 512a_100000210307_100000210304 [0,1,1,0,0,0|2,0,0]=4 177 B19R1.512890 CCCNC(=O)Nc1c(cccc1C(C)C)C(C)C 2430a_100000210307_100020643023 [0,1,1,0,0,0|2,0,0]=4 178 B19R1.512890 CCCNC(=O)Nc1c(cccc1C(C)C)C(C)C 512a_100000210307_100020643023 [0,1,1,0,0,0|2,0,0]=4 179 B19R1.281415 CC(C)NC(=O)Nc1c(cccc1C(C)C)C(C)C 2430a_100000210307_100138425928 [0,1,1,0,0,0|2,0,0]=4 180 B19R1.281415 CC(C)NC(=O)Nc1c(cccc1C(C)C)C(C)C 512a_100000210307_100138425928 [0,1,1,0,0,0|2,0,0]=4 181 B19R1.542204 CCN(C)C(=O)Nc1c(cccc1C(C)C)C(C)C 2430a_100000210307_100000225621 [0,1,1,0,0,0|2,0,0]=4 182 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)Br)C(C)C 2430a_100010205856_100015525214 [0,1,1,0,0,0|2,0,0]=4 183 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)Br)C(C)C 512a_100010205856_100015525214 [0,1,1,0,0,0|2,0,0]=4 184 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)Br)C(C)C 512a_100015525214_100010205856 [0,1,1,0,0,0|2,0,0]=4 185 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)Cl)C(C)C 2430a_200010571439_100015525214 [0,1,1,0,0,0|2,0,0]=4 186 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)Cl)C(C)C 512a_200010571439_100015525214 [0,1,1,0,0,0|2,0,0]=4 187 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)F)C(C)C 2430a_100160480120_100015525214 [0,1,1,0,0,0|2,0,0]=4 188 B19R1.1609062 CCNC(=O)Nc1c(cc(cc1C(C)C)F)C(C)C 512a_100160480120_100015525214 [0,1,1,0,0,0|2,0,0]=4 189 B19R2.45549 Cc1c[nH]c(n1)c2c(cccc2C(C)C)C(C)C 271570a_100000070733_100161115468 [0,1,0,0,1,0|0,0,2]=4 190 B19R2.51710 CC(C)c1cccc(c1c2nccn2C)C(C)C 271570a_100000070733_100000707724 [0,1,0,0,1,0|0,0,2]=4 191 B19R2.51710 CC(C)c1cccc(c1c2ncnn2C)C(C)C 271570a_100000070733_100000732653 [0,1,0,0,1,0|1,0,1]=4 192 B19R2.93239 CC(C)c1cccc(c1CN2CCC2C)C(C)C 26a_100000755817_100011218711 [0,1,0,0,1,0|2,0,0]=4 193 B19R2.100268 CC(C)c1cccc(c1CN2CC(C2)F)C(C)C 26a_100000690557_100011218711 [0,1,0,0,1,0|2,0,0]=4 194 B19R2.100268 CC(C)c1cccc(c1CN2CC(C2)O)C(C)C 26a_100000749847_100011218711 [0,1,0,0,1,0|2,0,0]=4 195 B19R2.100268 CC1CN(C1)Cc2c(cccc2C(C)C)C(C)C 26a_100000702820_100011218711 [0,1,0,0,1,0|2,0,0]=4 196 B19R2.3334978 CC(C)c1cc(cc(c1CN2CCC2)C(C)C)Br 26a_100000754969_200010782092 [0,1,0,0,1,0|2,0,0]=4 197 B21R2.211415 CC(C)c1cccc(c1NCc2nccn2C)C(C)C 207a_100000210307_100000748660 [0,1,0,0,0,1|0,0,2]=4 198 B21R2.211415 CC(C)c1cccc(c1NCc2nccn2C)C(C)C 2230a_100000210307_100000700302 [0,1,0,0,0,1|0,0,2]=4 199 B21R2.211415 CC(C)c1cccc(c1NCc2nccn2C)C(C)C 34a_100000210307_100000700302 [0,1,0,0,0,1|0,0,2]=4 200 B21R2.211415 CC(C)c1cccc(c1NCc2nccn2C)C(C)C 7a_100000210307_100000700302 [0,1,0,0,0,1|0,0,2]=4 201 B21R2.211415 CC(C)c1cccc(c1OCc2nccn2C)C(C)C 34a_100011218711_100000700302 [0,1,0,0,0,1|0,0,2]=4 202 B21R2.211415 CC(C)c1cccc(c1OCc2nccn2C)C(C)C 7a_100011218711_100000700302 [0,1,0,0,0,1|0,0,2]=4 203 B21R2.211415 CC(C)c1cccc(c1SCc2nccn2C)C(C)C 62a_100000700302_100009817198 [0,1,0,0,0,1|0,0,2]=4 204 B21R2.211415 CC(C)c1cccc(c1SCc2nccn2C)C(C)C 62a_100009817198_100000700302 [0,1,0,0,0,1|0,0,2]=4 205 B21R2.810131 COC(=O)c1cccc(c1OCC2=NCCN2)C(C)C 34a_100010659218_100000737910 [0,1,0,0,0,1|1,0,1]=4 206 B21R2.810131 COC(=O)c1cccc(c1OCC2=NCCN2)C(C)C 7a_100010659218_100000737910 [0,1,0,0,0,1|1,0,1]=4 207 B21R2.2429069 CC(C)c1cc(cc(c1NCC2=NCCN2)C(C)C)Br 34a_100010205856_100000737910 [0,1,0,0,0,1|0,0,0]=2 208 B21R2.2429069 CC(C)c1cc(cc(c1NCC2=NCCN2)C(C)C)Br 7a_100010205856_100000737910 [0,1,0,0,0,1|0,0,0]=2 209 B21R2.2429069 CC(C)c1cc(cc(c1NCC2=NCCN2)C(C)C)Cl 34a_200010571439_100000737910 [0,1,0,0,0,1|0,0,0]=2 210 B21R2.2429069 CC(C)c1cc(cc(c1NCC2=NCCN2)C(C)C)Cl 7a_200010571439_100000737910 [0,1,0,0,0,1|0,0,0]=2 211 B21R2.2429069 CC(C)c1cc(cc(c1NCC2=NCCN2)C(C)C)F 34a_100160480120_100000737910 [0,1,0,0,0,1|0,0,0]=2 212 B21R2.2429069 CC(C)c1cc(cc(c1NCC2=NCCN2)C(C)C)F 7a_100160480120_100000737910 [0,1,0,0,0,1|0,0,0]=2 213 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Br 207a_100010205856_100000743867 [0,1,0,0,0,1|0,0,2]=4 214 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Br 2230a_100010205856_100016991755 [0,1,0,0,0,1|0,0,2]=4 215 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Br 34a_100010205856_100016991755 [0,1,0,0,0,1|0,0,2]=4 216 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Br 7a_100010205856_100000753453 [0,1,0,0,0,1|0,0,2]=4 217 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Cl 207a_200010571439_100000743867 [0,1,0,0,0,1|0,0,2]=4 218 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Cl 2230a_200010571439_100016991755 [0,1,0,0,0,1|0,0,2]=4 219 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Cl 34a_200010571439_100016991755 [0,1,0,0,0,1|0,0,2]=4 220 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)Cl 7a_200010571439_100000753453 [0,1,0,0,0,1|0,0,2]=4 221 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)F 207a_100160480120_100000743867 [0,1,0,0,0,1|0,0,2]=4 222 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)F 2230a_100160480120_100016991755 [0,1,0,0,0,1|0,0,2]=4 223 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)F 34a_100160480120_100016991755 [0,1,0,0,0,1|0,0,2]=4 224 B21R2.2429069 CC(C)c1cc(cc(c1NCc2ncc[nH]2)C(C)C)F 7a_100160480120_100000753453 [0,1,0,0,0,1|0,0,2]=4 225 B21R2.2429069 CC(C)c1cc(cc(c1NCc2nnn[nH]2)C(C)C)Br 34a_100010205856_100000765167 [0,1,0,0,0,1|2,0,0]=4 226 B21R2.2429069 CC(C)c1cc(cc(c1NCc2nnn[nH]2)C(C)C)Br 7a_100010205856_100000765167 [0,1,0,0,0,1|2,0,0]=4 227 B21R2.2429069 CC(C)c1cc(cc(c1NCc2nnn[nH]2)C(C)C)Cl 34a_200010571439_100000765167 [0,1,0,0,0,1|2,0,0]=4 228 B21R2.2429069 CC(C)c1cc(cc(c1NCc2nnn[nH]2)C(C)C)Cl 7a_200010571439_100000765167 [0,1,0,0,0,1|2,0,0]=4 229 B21R2.2429069 CC(C)c1cc(cc(c1NCc2nnn[nH]2)C(C)C)F 34a_100160480120_100000765167 [0,1,0,0,0,1|2,0,0]=4 230 B21R2.2429069 CC(C)c1cc(cc(c1NCc2nnn[nH]2)C(C)C)F 7a_100160480120_100000765167 [0,1,0,0,0,1|2,0,0]=4 231 B21R2.2429069 CC(C)c1cc(cc(c1OCC2=NCCN2)C(C)C)Br 34a_200010782092_100000737910 [0,1,0,0,0,1|0,0,0]=2 232 B21R2.2429069 CC(C)c1cc(cc(c1OCC2=NCCN2)C(C)C)Br 7a_200010782092_100000737910 [0,1,0,0,0,1|0,0,0]=2 233 B21R2.2429069 CC(C)c1cc(cc(c1OCC2=NCCN2)C(C)C)N 34a_200000012011_100000737910 [0,1,0,0,0,1|0,0,0]=2 234 B21R2.2429069 CC(C)c1cc(cc(c1OCC2=NCCN2)C(C)C)N 7a_200000012011_100000737910 [0,1,0,0,0,1|0,0,0]=2 235 B21R2.2429069 CC(C)c1cc(cc(c1OCc2ncc[nH]2)C(C)C)Br 34a_200010782092_100016991755 [0,1,0,0,0,1|0,0,2]=4 236 B21R2.2429069 CC(C)c1cc(cc(c1OCc2ncc[nH]2)C(C)C)Br 7a_200010782092_100000753453 [0,1,0,0,0,1|0,0,2]=4 237 B21R2.2429069 CC(C)c1cc(cc(c1OCc2ncc[nH]2)C(C)C)N 34a_200000012011_100016991755 [0,1,0,0,0,1|0,0,2]=4 238 B21R2.2429069 CC(C)c1cc(cc(c1OCc2ncc[nH]2)C(C)C)N 7a_200000012011_100000753453 [0,1,0,0,0,1|0,0,2]=4 239 B21R2.2429069 CC(C)c1cc(cc(c1OCc2nnn[nH]2)C(C)C)Br 34a_200010782092_100000765167 [0,1,0,0,0,1|2,0,0]=4 240 B21R2.2429069 CC(C)c1cc(cc(c1OCc2nnn[nH]2)C(C)C)Br 7a_200010782092_100000765167 [0,1,0,0,0,1|2,0,0]=4 241 B21R2.2429069 CC(C)c1cc(cc(c1OCc2nnn[nH]2)C(C)C)N 34a_200000012011_100000765167 [0,1,0,0,0,1|2,0,0]=4 242 B21R2.2429069 CC(C)c1cc(cc(c1OCc2nnn[nH]2)C(C)C)N 7a_200000012011_100000765167 [0,1,0,0,0,1|2,0,0]=4 243 B21R2.3163093 CC(C)c1cccc(c1NCc2n[nH]c(=O)[nH]2)C(C)C 2230a_100000210307_100000754189 [0,1,0,0,0,1|1,0,1]=4 244 B21R2.3163093 CC(C)c1cccc(c1NCc2n[nH]c(=O)[nH]2)C(C)C 7a_100000210307_100000754189 [0,1,0,0,0,1|1,0,1]=4 245 B21R2.3163093 CC(C)c1cccc(c1OCc2n[nH]c(=O)[nH]2)C(C)C 7a_100011218711_100000754189 [0,1,0,0,0,1|1,0,1]=4 246 B21R2.3163093 CC(C)c1cccc(c1SCc2n[nH]c(=O)[nH]2)C(C)C 62a_100009817198_100000754189 [0,1,0,0,0,1|1,0,1]=4 247 B21R2.3163093 Cc1c[nH]c(n1)CNc2c(cccc2C(C)C)C(C)C 207a_100000210307_100000082322 [0,1,0,0,0,1|0,0,2]=4 248 B21R2.4787524 CC(C)c1cccc(c1OCC2=NCCN2)[Si](C)(C)C 7a_200010665438_100000737910 [0,1,0,0,0,1|0,1,0]=3 249 B21R2.4823178 CC(C)c1cccc(c1C(=O)Cc2nnn[nH]2)C(C)C 1458a_100000025404_100000765167 [0,1,0,0,0,1|2,0,0]=4 250 B17R1.21871 CCCC(=O)c1c(cccc1C(C)C)C(C)C 1458a_100000025404_100000210303 [0,0,1,0,1,0|2,0,0]=4 251 B17R1.21871 CCNC(=O)c1c(cccc1C(C)C)C(C)C 11a_100015525214_100000025404 [0,0,1,0,1,0|1,0,0]=3 252 B17R1.21871 CCNC(=O)c1c(cccc1C(C)C)C(C)C 240690a_100015525214_100000025404 [0,0,1,0,1,0|1,0,0]=3 253 B17R1.21871 CNNC(=O)c1c(cccc1C(C)C)C(C)C 22a_100016993582_100000025404 [0,0,1,0,1,0|2,0,0]=4 254 B17R2.292826 CC(C)c1cccc(c1NC2CC2)C(C)C 34a_100000210307_100000211595 [0,0,0,0,2,0|1,0,1]=4 255 B17R2.292826 CC(C)c1cccc(c1OC2CC2)C(C)C 34a_100011218711_100000211595 [0,0,0,0,2,0|1,0,1]=4 256 B17R2.292826 CC(C)c1cccc(c1SC2CC2)C(C)C 62a_100009817198_100000211595 [0,0,0,0,2,0|1,0,1]=4 257 B21R2.4823129 CC(C)c1cccc(c1NCCc2nnn[nH]2)C(C)C 7a_100000210307_100000031946 [0,0,0,0,0,2|2,0,0]=4 258 B21R2.4823129 CC(C)c1cccc(c1OCCc2nnn[nH]2)C(C)C 7a_100011218711_100000031946 [0,0,0,0,0,2|2,0,0]=4 259 B21R2.4823129 CC(C)c1cccc(c1SCCc2nnn[nH]2)C(C)C 62a_100000031946_100009817198 [0,0,0,0,0,2|2,0,0]=4 260 B21R2.4823129 CC(C)c1cccc(c1SCCc2nnn[nH]2)C(C)C 62a_100009817198_100000031946 [0,0,0,0,0,2|2,0,0]=4