0 B22R3.12374534 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_200000210301 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.12374534 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)[13CH3] 269982a_100116208926_200025704644 [0,0,0,0,0,0|0,0,0]=0 2 B23R3.25116865 CCN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_100000204670 [0,1,0,0,0,0|0,0,0]=1 3 B23R3.25116865 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)CF 269982a_100116208926_100015361967 [0,1,0,0,0,0|0,0,0]=1 4 B21R2.4288 CC(C)c1ccc(c(c1)Br)Sc2ccc(cc2)N(C)C 62a_100000210421_200010212211 [0,0,1,0,0,0|3,0,0]=4 5 B21R2.4288 CC(C)c1ccc(c(c1)Br)Sc2ccc(cc2)N(C)C 62a_200010212211_100000210421 [0,0,1,0,0,0|3,0,0]=4 6 B21R2.4288 Cc1cc(ccc1Sc2ccc(cc2)C(C)C)N(C)C 62a_100000750031_100011934168 [0,0,1,0,0,0|3,0,0]=4 7 B21R2.4288 Cc1cc(ccc1Sc2ccc(cc2)C(C)C)N(C)C 62a_100011934168_100000750031 [0,0,1,0,0,0|3,0,0]=4 8 B21R2.4288 Cc1cc(ccc1Sc2ccc(cc2)N(C)C)N(C)C 62a_100000210421_100011934168 [0,0,1,0,0,0|2,0,0]=3 9 B21R2.4288 Cc1cc(ccc1Sc2ccc(cc2)N(C)C)N(C)C 62a_100011934168_100000210421 [0,0,1,0,0,0|2,0,0]=3 10 B21R2.4288 Cc1cc(ccc1Sc2ccc(cn2)N(C)C)N(C)C 62a_100009992925_100011934168 [0,0,1,0,0,0|3,0,0]=4 11 B21R2.4288 Cc1cc(ccc1Sc2ccc(cn2)N(C)C)N(C)C 62a_100011934168_100009992925 [0,0,1,0,0,0|3,0,0]=4 12 B21R2.4288 Cc1cc(ccc1Sc2ccc(nc2)N(C)C)N(C)C 62a_100011465347_100011934168 [0,0,1,0,0,0|3,0,0]=4 13 B21R2.4288 Cc1cc(ccc1Sc2ccc(nc2)N(C)C)N(C)C 62a_100011934168_100011465347 [0,0,1,0,0,0|3,0,0]=4 14 B21R2.19076 CC(C)c1ccc(c(c1)Sc2cccc(c2)N(C)C)N 62a_100011215952_100011218581 [0,0,1,0,0,0|1,0,2]=4 15 B21R2.19076 CC(C)c1ccc(c(c1)Sc2cccc(c2)N(C)C)N 62a_100011218581_100011215952 [0,0,1,0,0,0|1,0,2]=4 16 B21R2.19076 CC(C)c1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_100011214899_200013039233 [0,0,1,0,0,0|1,0,2]=4 17 B21R2.19076 CC(C)c1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_200013039233_100011214899 [0,0,1,0,0,0|1,0,2]=4 18 B21R2.19076 CN(C)c1ccc(c(c1)Sc2cccc(n2)N(C)C)N 62a_100011960435_200013039233 [0,0,1,0,0,0|1,0,2]=4 19 B21R2.19076 CN(C)c1ccc(c(c1)Sc2cccc(n2)N(C)C)N 62a_200013039233_100011960435 [0,0,1,0,0,0|1,0,2]=4 20 B21R2.19076 CN(C)c1ccc(c(c1)Sc2ccnc(c2)N(C)C)N 62a_100012361627_200013039233 [0,0,1,0,0,0|1,0,2]=4 21 B21R2.19076 CN(C)c1ccc(c(c1)Sc2ccnc(c2)N(C)C)N 62a_200013039233_100012361627 [0,0,1,0,0,0|1,0,2]=4 22 B21R2.19076 CN(C)c1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_100011215952_200013039233 [0,0,1,0,0,0|0,0,2]=3 23 B21R2.19076 CN(C)c1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_200013039233_100011215952 [0,0,1,0,0,0|0,0,2]=3 24 B21R2.19076 CN(C)c1ccnc(c1)Sc2cc(ccc2N)N(C)C 62a_100000766659_200013039233 [0,0,1,0,0,0|1,0,2]=4 25 B21R2.19076 CN(C)c1ccnc(c1)Sc2cc(ccc2N)N(C)C 62a_200013039233_100000766659 [0,0,1,0,0,0|1,0,2]=4 26 B21R2.19076 CN(C)c1cncc(c1)Sc2cc(ccc2N)N(C)C 62a_100012350714_200013039233 [0,0,1,0,0,0|1,0,2]=4 27 B21R2.19076 CN(C)c1cncc(c1)Sc2cc(ccc2N)N(C)C 62a_200013039233_100012350714 [0,0,1,0,0,0|1,0,2]=4 28 B23R3.26177640 CC(=O)Nc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 11a_100015190831_100015343762 [0,0,0,0,0,1|2,0,0]=3 29 B23R3.26177640 CC(=O)Nc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 1626a_100015190831_100015343762 [0,0,0,0,0,1|2,0,0]=3 30 B23R3.26177640 CC(=O)Nc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 22a_100015190831_100000070787 [0,0,0,0,0,1|2,0,0]=3 31 B20R2.5417 CNc1ccc(cc1)Sc2ccc(cc2C)N(C)C 62a_100000743151_100011934168 [1,0,1,0,0,0|2,0,0]=4 32 B20R2.5417 CNc1ccc(cc1)Sc2ccc(cc2C)N(C)C 62a_100011934168_100000743151 [1,0,1,0,0,0|2,0,0]=4 33 B20R2.10597 CC(C)c1ccc(cc1)Sc2ccc(cc2)N(C)C 62a_100000210421_100000750031 [1,0,1,0,0,0|2,0,0]=4 34 B20R2.10597 CC(C)c1ccc(cc1)Sc2ccc(cc2)N(C)C 62a_100000750031_100000210421 [1,0,1,0,0,0|2,0,0]=4 35 B20R2.10597 CN(C)c1ccc(cc1)Sc2ccc(cc2)N(C)C 62a_100000210421_100000210421 [1,0,1,0,0,0|1,0,0]=3 36 B20R2.10597 CN(C)c1ccc(cc1)Sc2ccc(cn2)N(C)C 62a_100000210421_100009992925 [1,0,1,0,0,0|2,0,0]=4 37 B20R2.10597 CN(C)c1ccc(cc1)Sc2ccc(cn2)N(C)C 62a_100009992925_100000210421 [1,0,1,0,0,0|2,0,0]=4 38 B20R2.10597 CN(C)c1ccc(cc1)Sc2ccc(nc2)N(C)C 62a_100000210421_100011465347 [1,0,1,0,0,0|2,0,0]=4 39 B20R2.10597 CN(C)c1ccc(cc1)Sc2ccc(nc2)N(C)C 62a_100011465347_100000210421 [1,0,1,0,0,0|2,0,0]=4 40 B20R2.309257 CNc1ccc(c(c1)C)Sc2ccc(cc2)N(C)C 62a_100000210421_100102888905 [1,0,1,0,0,0|2,0,0]=4 41 B20R2.309257 CNc1ccc(c(c1)C)Sc2ccc(cc2)N(C)C 62a_100102888905_100000210421 [1,0,1,0,0,0|2,0,0]=4 42 B20R2.309257 CNc1ccc(c(c1)F)Sc2ccc(cc2)N(C)C 62a_100000210421_100012285320 [1,0,1,0,0,0|2,0,0]=4 43 B20R2.309257 CNc1ccc(c(c1)F)Sc2ccc(cc2)N(C)C 62a_100012285320_100000210421 [1,0,1,0,0,0|2,0,0]=4 44 B20R2.172744 CC(C)c1cccc(c1)Sc2cccc(c2)N(C)C 62a_100011214899_100011215952 [1,0,1,0,0,0|1,0,1]=4 45 B20R2.172744 CC(C)c1cccc(c1)Sc2cccc(c2)N(C)C 62a_100011215952_100011214899 [1,0,1,0,0,0|1,0,1]=4 46 B20R2.172744 CN(C)c1cccc(c1)Sc2cc(ccn2)N(C)C 62a_100000766659_100011215952 [1,0,1,0,0,0|1,0,1]=4 47 B20R2.172744 CN(C)c1cccc(c1)Sc2cc(ccn2)N(C)C 62a_100011215952_100000766659 [1,0,1,0,0,0|1,0,1]=4 48 B20R2.172744 CN(C)c1cccc(c1)Sc2cccc(c2)N(C)C 62a_100011215952_100011215952 [1,0,1,0,0,0|0,0,1]=3 49 B20R2.172744 CN(C)c1cccc(c1)Sc2cccc(n2)N(C)C 62a_100011215952_100011960435 [1,0,1,0,0,0|1,0,1]=4 50 B20R2.172744 CN(C)c1cccc(c1)Sc2cccc(n2)N(C)C 62a_100011960435_100011215952 [1,0,1,0,0,0|1,0,1]=4 51 B20R2.172744 CN(C)c1cccc(c1)Sc2ccnc(c2)N(C)C 62a_100011215952_100012361627 [1,0,1,0,0,0|1,0,1]=4 52 B20R2.172744 CN(C)c1cccc(c1)Sc2ccnc(c2)N(C)C 62a_100012361627_100011215952 [1,0,1,0,0,0|1,0,1]=4 53 B20R2.172744 CN(C)c1cccc(c1)Sc2cncc(c2)N(C)C 62a_100011215952_100012350714 [1,0,1,0,0,0|1,0,1]=4 54 B20R2.172744 CN(C)c1cccc(c1)Sc2cncc(c2)N(C)C 62a_100012350714_100011215952 [1,0,1,0,0,0|1,0,1]=4 55 B20R2.302792 CNc1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_100000219648_200013039233 [1,0,1,0,0,0|0,0,2]=4 56 B20R2.302792 CNc1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_200013039233_100000219648 [1,0,1,0,0,0|0,0,2]=4 57 B20R2.309445 CNc1ccc(c(c1)Sc2cccc(c2)N(C)C)C 62a_100000707694_100011215952 [1,0,1,0,0,0|1,0,1]=4 58 B20R2.309445 CNc1ccc(c(c1)Sc2cccc(c2)N(C)C)C 62a_100011215952_100000707694 [1,0,1,0,0,0|1,0,1]=4 59 B22R2.5812906 Cc1cc(ccc1Sc2ccc(c(c2)N)N(C)C)N(C)C 62a_100000737018_100011934168 [0,1,1,0,0,0|2,0,0]=4 60 B22R2.5812906 Cc1cc(ccc1Sc2ccc(c(c2)N)N(C)C)N(C)C 62a_100011934168_100000737018 [0,1,1,0,0,0|2,0,0]=4 61 B22R2.5814578 Cc1cc(ccc1Sc2ccc(cc2C)N(C)C)N(C)C 62a_100011934168_100011934168 [0,1,1,0,0,0|2,0,0]=4 62 B22R2.5877633 Cc1cc(cc(c1Sc2ccc(cc2)N(C)C)C)N(C)C 62a_100000210421_100011935182 [0,1,1,0,0,0|2,0,0]=4 63 B22R2.5877633 Cc1cc(cc(c1Sc2ccc(cc2)N(C)C)C)N(C)C 62a_100011935182_100000210421 [0,1,1,0,0,0|2,0,0]=4 64 B22R2.521247 CN(C)c1ccc(c(c1)Sc2cc(ccc2N)N(C)C)N 62a_200013039233_200013039233 [0,1,1,0,0,0|0,0,2]=4 65 B22R2.521340 CN(C)c1ccc(c(c1)Sc2ccc(c(c2)N(C)C)F)N 62a_100010288836_200013039233 [0,1,1,0,0,0|0,0,2]=4 66 B22R2.521340 CN(C)c1ccc(c(c1)Sc2ccc(c(c2)N(C)C)F)N 62a_200013039233_100010288836 [0,1,1,0,0,0|0,0,2]=4 67 B24R3.141277 CC(=O)Nc1cc2[s+]c3cc(ccc3nc2cc1C)N(C)C 11a_100016998905_100015343762 [0,1,0,0,0,1|2,0,0]=4 68 B24R3.141277 CC(=O)Nc1cc2[s+]c3cc(ccc3nc2cc1C)N(C)C 1626a_100016998905_100015343762 [0,1,0,0,0,1|2,0,0]=4 69 B24R3.141277 CC(=O)Nc1cc2[s+]c3cc(ccc3nc2cc1C)N(C)C 22a_100016998905_100000070787 [0,1,0,0,0,1|2,0,0]=4 70 B24R3.28671921 CC(=O)N(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 11a_100116208926_100015343762 [0,1,0,0,0,1|2,0,0]=4 71 B24R3.28671921 CC(=O)N(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 1626a_100116208926_100015343762 [0,1,0,0,0,1|2,0,0]=4 72 B24R3.28671921 CC(C)N(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_100000210206 [0,1,0,0,0,1|1,0,0]=3 73 B24R3.62243417 CCC(=O)Nc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 11a_100015190831_100000210414 [0,1,0,0,0,1|2,0,0]=4 74 B24R3.62243417 CCC(=O)Nc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 1626a_100015190831_100000210414 [0,1,0,0,0,1|2,0,0]=4 75 B24R3.62243417 CCC(=O)Nc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 22a_100015190831_100000210414 [0,1,0,0,0,1|2,0,0]=4 76 B24R3.62243417 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)NC(=O)CO 22a_100015190831_100000210174 [0,1,0,0,0,1|2,0,0]=4 77 B24R3.246928298 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)NS(=O)(=O)C 40a_100015190831_100000738038 [0,1,0,0,0,1|2,0,0]=4 78 B24R3.32397265 C=CCN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_100000210623 [0,2,0,0,0,0|0,0,0]=2 79 B24R3.32397265 CCCN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_100000210303 [0,2,0,0,0,0|0,0,0]=2 80 B24R3.32397265 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)CC#N 269982a_100116208926_100011214920 [0,2,0,0,0,0|0,0,0]=2 81 B24R3.32397265 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)CC=O 269982a_100116208926_200015260668 [0,2,0,0,0,0|0,0,0]=2 82 B24R3.32397265 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)CCF 269982a_100116208926_100011217306 [0,2,0,0,0,0|0,0,0]=2 83 B24R3.32397265 CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)CCO 269982a_100116208926_100000211926 [0,2,0,0,0,0|0,0,0]=2 84 B24R3.32397265 COCN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_100000766300 [0,2,0,0,0,0|0,0,0]=2 85 B24R3.32397265 CSCN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 269982a_100116208926_100011218213 [0,2,0,0,0,0|0,0,0]=2 86 B20R2.65730 CC(C)c1ccc(c(c1)Br)c2ccc(cc2)N(C)C 271570a_100011934425_200010212211 [0,0,1,0,1,0|2,0,0]=4 87 B20R2.65730 Cc1cc(ccc1c2ccc(cc2)C(C)C)N(C)C 271570a_100000750173_100011934168 [0,0,1,0,1,0|2,0,0]=4 88 B20R2.65730 Cc1cc(ccc1c2ccc(cc2)N(C)C)N(C)C 271570a_100011934425_100011934168 [0,0,1,0,1,0|1,0,0]=3 89 B20R2.65730 Cc1cc(ccc1c2ccc(nc2)N(C)C)N(C)C 271570a_100012362394_100011934168 [0,0,1,0,1,0|2,0,0]=4 90 B20R2.65730 Cc1cc(ncc1c2ccc(cc2)N(C)C)N(C)C 271570a_100009850952_100000210421 [0,0,1,0,1,0|2,0,0]=4 91 B20R2.15208 CC(C)c1ccc(c(c1)c2cccc(c2)N(C)C)N 271570a_100016987616_100011218581 [0,0,1,0,1,0|1,0,1]=4 92 B20R2.15208 CC(C)c1cccc(c1)c2cc(ccc2N)N(C)C 271570a_100000750175_200013039233 [0,0,1,0,1,0|1,0,1]=4 93 B20R2.15208 CN(C)c1cccc(c1)c2cc(ccc2N)N(C)C 271570a_100016987616_200013039233 [0,0,1,0,1,0|0,0,1]=3 94 B22R2.4142 Cc1cc(ccc1Sc2ccc(cc2)CN(C)C)N(C)C 62a_100000174694_100011934168 [0,0,1,0,0,1|2,0,0]=4 95 B22R2.4142 Cc1cc(ccc1Sc2ccc(cc2)CN(C)C)N(C)C 62a_100011934168_100000174694 [0,0,1,0,0,1|2,0,0]=4 96 B22R2.283330 CN(C)c1ccc(cc1)CNc2ccc(cc2Br)N(C)C 270302a_200013039233_100000185837 [0,0,1,0,0,1|1,0,1]=4 97 B22R2.283330 CN(C)c1ccc(cc1)NCc2ccc(cc2Cl)N(C)C 270302a_100016997997_100011219522 [0,0,1,0,0,1|1,0,1]=4 98 B22R2.283330 Cc1cc(ccc1CNc2ccc(cc2)N(C)C)N(C)C 270302a_100016997997_100011615803 [0,0,1,0,0,1|1,0,1]=4 99 B22R2.283330 Cc1cc(ccc1NCc2ccc(cc2)N(C)C)N(C)C 207a_100000246174_100000185837 [0,0,1,0,0,1|1,0,1]=4 100 B22R2.283330 Cc1cc(ccc1NCc2ccc(cc2)N(C)C)N(C)C 270302a_100000246174_100000185837 [0,0,1,0,0,1|1,0,1]=4 101 B22R2.22670 Cc1ccc(cc1NCc2cccc(c2)N(C)C)N(C)C 207a_100015186894_100011794417 [0,0,1,0,0,1|2,0,0]=4 102 B22R2.22670 Cc1ccc(cc1NCc2cccc(c2)N(C)C)N(C)C 270302a_100015186894_100011794417 [0,0,1,0,0,1|2,0,0]=4 103 B22R2.22693 CN(C)Cc1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_100000174759_200013039233 [0,0,1,0,0,1|0,0,2]=4 104 B22R2.22693 CN(C)Cc1cccc(c1)Sc2cc(ccc2N)N(C)C 62a_200013039233_100000174759 [0,0,1,0,0,1|0,0,2]=4