0 B19R3.54136 Brc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000210019_200011794416 [0,0,0,0,0,0|3,0,0]=3 1 B19R3.54136 Brc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000210019_200011794416 [0,0,0,0,0,0|3,0,0]=3 2 B19R3.54136 Brc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000210019_100000696605 [0,0,0,0,0,0|2,0,0]=2 3 B19R3.54136 Cc1cc(ncn1)NCc2cn3c(n2)SCC3 27a_100000721633_100000744208 [0,0,0,0,0,0|4,0,0]=4 4 B19R3.54136 Cc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000188690_200011794416 [0,0,0,0,0,0|2,0,0]=2 5 B19R3.54136 Cc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000188690_200011794416 [0,0,0,0,0,0|2,0,0]=2 6 B19R3.54136 Cc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000188690_100000696605 [0,0,0,0,0,0|1,0,0]=1 7 B19R3.54136 Cc1ccnc(c1)CSc2cn3c(n2)CCC3 62a_100000718516_100015205953 [0,0,0,0,0,0|4,0,0]=4 8 B19R3.54136 Cc1ccnc(c1)CSc2cn3c(n2)CCC3 62a_100015205953_100000718516 [0,0,0,0,0,0|4,0,0]=4 9 B19R3.54136 Cc1ccnc(n1)NCc2cn3c(n2)SCC3 27a_100000721633_100000750684 [0,0,0,0,0,0|4,0,0]=4 10 B19R3.54136 Cc1cnnc(c1)NCc2cn3c(n2)SCC3 27a_100000721633_100000070100 [0,0,0,0,0,0|4,0,0]=4 11 B19R3.54136 Clc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000185859_200011794416 [0,0,0,0,0,0|3,0,0]=3 12 B19R3.54136 Clc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000185859_200011794416 [0,0,0,0,0,0|3,0,0]=3 13 B19R3.54136 Clc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000185859_100000696605 [0,0,0,0,0,0|2,0,0]=2 14 B19R3.54136 Fc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000210047_200011794416 [0,0,0,0,0,0|3,0,0]=3 15 B19R3.54136 Fc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000210047_200011794416 [0,0,0,0,0,0|3,0,0]=3 16 B19R3.54136 Fc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000210047_100000696605 [0,0,0,0,0,0|2,0,0]=2 17 B19R3.54136 Fc1ccnc(c1)NCc2cn3c(n2)SCC3 27a_100000721633_100000764206 [0,0,0,0,0,0|4,0,0]=4 18 B19R3.54136 Ic1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000211102_200011794416 [0,0,0,0,0,0|3,0,0]=3 19 B19R3.54136 Ic1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000211102_200011794416 [0,0,0,0,0,0|3,0,0]=3 20 B19R3.54136 Ic1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000211102_100000696605 [0,0,0,0,0,0|2,0,0]=2 21 B19R3.54136 Oc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000210217_200011794416 [0,0,0,0,0,0|3,0,0]=3 22 B18R3.12830 c1ccc(cc1)NCc2cc3c(s2)CCC3 207a_100000106764_200011794416 [1,0,0,0,0,0|2,0,0]=3 23 B18R3.12830 c1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000106764_200011794416 [1,0,0,0,0,0|2,0,0]=3 24 B18R3.12830 c1ccc(cc1)NCc2nc3c(s2)CCC3 207a_100000106764_100000696605 [1,0,0,0,0,0|1,0,0]=2 25 B20R3.41102 C#Cc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000735509_200011794416 [0,1,0,0,0,0|2,0,1]=4 26 B20R3.41102 C#Cc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000735509_100000696605 [0,1,0,0,0,0|1,0,1]=3 27 B20R3.41102 C=Cc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100011827668_200011794416 [0,1,0,0,0,0|2,0,1]=4 28 B20R3.41102 C=Cc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100011827668_200011794416 [0,1,0,0,0,0|2,0,1]=4 29 B20R3.41102 C=Cc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100011827668_100000696605 [0,1,0,0,0,0|1,0,1]=3 30 B20R3.41102 CCc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000211250_200011794416 [0,1,0,0,0,0|2,0,0]=3 31 B20R3.41102 CCc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000211250_200011794416 [0,1,0,0,0,0|2,0,0]=3 32 B20R3.41102 CCc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000211250_100000696605 [0,1,0,0,0,0|1,0,0]=2 33 B20R3.41102 CCc1ccnc(c1)NCc2cn3c(n2)SCC3 27a_100000721633_100009817561 [0,1,0,0,0,0|3,0,0]=4 34 B20R3.41102 COc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000210024_200011794416 [0,1,0,0,0,0|2,0,0]=3 35 B20R3.41102 COc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000210024_200011794416 [0,1,0,0,0,0|2,0,0]=3 36 B20R3.41102 COc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000210024_100000696605 [0,1,0,0,0,0|1,0,0]=2 37 B20R3.41102 CSc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000210049_200011794416 [0,1,0,0,0,0|2,0,0]=3 38 B20R3.41102 CSc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000210049_200011794416 [0,1,0,0,0,0|2,0,0]=3 39 B20R3.41102 CSc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000210049_100000696605 [0,1,0,0,0,0|1,0,0]=2 40 B20R3.41102 FCc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000126320_200011794416 [0,1,0,0,0,0|2,0,0]=3 41 B20R3.41102 FCc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000126320_200011794416 [0,1,0,0,0,0|2,0,0]=3 42 B20R3.41102 FCc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000126320_100000696605 [0,1,0,0,0,0|1,0,0]=2 43 B20R3.41102 N#Cc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000210922_200011794416 [0,1,0,0,0,0|2,0,1]=4 44 B20R3.41102 N#Cc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000210922_200011794416 [0,1,0,0,0,0|2,0,1]=4 45 B20R3.41102 N#Cc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000210922_100000696605 [0,1,0,0,0,0|1,0,1]=3 46 B20R3.41102 OCc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000211919_200011794416 [0,1,0,0,0,0|2,0,0]=3 47 B20R3.41102 OCc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000211919_200011794416 [0,1,0,0,0,0|2,0,0]=3 48 B20R3.41102 OCc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000211919_100000696605 [0,1,0,0,0,0|1,0,0]=2 49 B20R3.85406 Brc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 207a_100012047176_200011794416 [0,1,0,0,0,0|3,0,0]=4 50 B20R3.85406 Brc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 270302a_100012047176_200011794416 [0,1,0,0,0,0|3,0,0]=4 51 B20R3.85406 Brc1cc(cc(c1)NCc2cc3c(s2)CCC3)I 207a_100009814763_200011794416 [0,1,0,0,0,0|3,0,0]=4 52 B20R3.85406 Brc1cc(cc(c1)NCc2cc3c(s2)CCC3)I 270302a_100009814763_200011794416 [0,1,0,0,0,0|3,0,0]=4 53 B20R3.85406 Brc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100012047176_100000696605 [0,1,0,0,0,0|2,0,0]=3 54 B20R3.85406 Brc1cc(cc(c1)NCc2nc3c(s2)CCC3)I 207a_100009814763_100000696605 [0,1,0,0,0,0|2,0,0]=3 55 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 207a_100000695972_200011794416 [0,1,0,0,0,0|2,0,0]=3 56 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 270302a_100000695972_200011794416 [0,1,0,0,0,0|2,0,0]=3 57 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)C 207a_100000210930_200011794416 [0,1,0,0,0,0|2,0,0]=3 58 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)C 270302a_100000210930_200011794416 [0,1,0,0,0,0|2,0,0]=3 59 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 207a_100012022512_200011794416 [0,1,0,0,0,0|2,0,0]=3 60 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100012022512_200011794416 [0,1,0,0,0,0|2,0,0]=3 61 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)F 207a_100000742734_200011794416 [0,1,0,0,0,0|2,0,0]=3 62 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)F 270302a_100000742734_200011794416 [0,1,0,0,0,0|2,0,0]=3 63 B20R3.85406 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)O 270302a_100011995906_200011794416 [0,1,0,0,0,0|2,0,0]=3 64 B20R3.85406 Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100000695972_100000696605 [0,1,0,0,0,0|1,0,0]=2 65 B20R3.85406 Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)C 207a_100000210930_100000696605 [0,1,0,0,0,0|1,0,0]=2 66 B20R3.85406 Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)Cl 207a_100012022512_100000696605 [0,1,0,0,0,0|1,0,0]=2 67 B20R3.85406 Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)F 207a_100000742734_100000696605 [0,1,0,0,0,0|1,0,0]=2 68 B20R3.85406 Cc1cc(nc(c1)NCc2cn3c(n2)SCC3)C 27a_100000721633_100000069240 [0,1,0,0,0,0|3,0,0]=4 69 B20R3.85406 Cc1cc(nc(c1)NCc2cn3c(n2)SCC3)F 27a_100000721633_100009819601 [0,1,0,0,0,0|3,0,0]=4 70 B20R3.85406 Clc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 207a_100011934539_200011794416 [0,1,0,0,0,0|3,0,0]=4 71 B20R3.85406 Clc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 270302a_100011934539_200011794416 [0,1,0,0,0,0|3,0,0]=4 72 B20R3.85406 Clc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 207a_100000210456_200011794416 [0,1,0,0,0,0|3,0,0]=4 73 B20R3.85406 Clc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100000210456_200011794416 [0,1,0,0,0,0|3,0,0]=4 74 B20R3.85406 Clc1cc(cc(c1)NCc2cc3c(s2)CCC3)I 207a_100010147676_200011794416 [0,1,0,0,0,0|3,0,0]=4 75 B20R3.85406 Clc1cc(cc(c1)NCc2cc3c(s2)CCC3)I 270302a_100010147676_200011794416 [0,1,0,0,0,0|3,0,0]=4 76 B20R3.85406 Clc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100011934539_100000696605 [0,1,0,0,0,0|2,0,0]=3 77 B20R3.85406 Clc1cc(cc(c1)NCc2nc3c(s2)CCC3)Cl 207a_100000210456_100000696605 [0,1,0,0,0,0|2,0,0]=3 78 B20R3.85406 Clc1cc(cc(c1)NCc2nc3c(s2)CCC3)I 207a_100010147676_100000696605 [0,1,0,0,0,0|2,0,0]=3 79 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 207a_100000705686_200011794416 [0,1,0,0,0,0|3,0,0]=4 80 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 270302a_100000705686_200011794416 [0,1,0,0,0,0|3,0,0]=4 81 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 207a_100000686136_200011794416 [0,1,0,0,0,0|3,0,0]=4 82 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100000686136_200011794416 [0,1,0,0,0,0|3,0,0]=4 83 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)F 207a_100000233717_200011794416 [0,1,0,0,0,0|3,0,0]=4 84 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)F 270302a_100000233717_200011794416 [0,1,0,0,0,0|3,0,0]=4 85 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)I 207a_100011356972_200011794416 [0,1,0,0,0,0|3,0,0]=4 86 B20R3.85406 Fc1cc(cc(c1)NCc2cc3c(s2)CCC3)I 270302a_100011356972_200011794416 [0,1,0,0,0,0|3,0,0]=4 87 B20R3.85406 Fc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100000705686_100000696605 [0,1,0,0,0,0|2,0,0]=3 88 B20R3.85406 Fc1cc(cc(c1)NCc2nc3c(s2)CCC3)Cl 207a_100000686136_100000696605 [0,1,0,0,0,0|2,0,0]=3 89 B20R3.85406 Fc1cc(cc(c1)NCc2nc3c(s2)CCC3)F 207a_100000233717_100000696605 [0,1,0,0,0,0|2,0,0]=3 90 B20R3.85406 Fc1cc(cc(c1)NCc2nc3c(s2)CCC3)I 207a_100011356972_100000696605 [0,1,0,0,0,0|2,0,0]=3 91 B20R3.85406 Ic1cc(cc(c1)NCc2cc3c(s2)CCC3)I 207a_200000696836_200011794416 [0,1,0,0,0,0|3,0,0]=4 92 B20R3.85406 Ic1cc(cc(c1)NCc2cc3c(s2)CCC3)I 270302a_200000696836_200011794416 [0,1,0,0,0,0|3,0,0]=4 93 B20R3.85406 Ic1cc(cc(c1)NCc2nc3c(s2)CCC3)I 207a_200000696836_100000696605 [0,1,0,0,0,0|2,0,0]=3 94 B20R3.85406 Oc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100000123917_200011794416 [0,1,0,0,0,0|3,0,0]=4 95 B20R3.85406 Oc1cc(cc(c1)NCc2cc3c(s2)CCC3)O 270302a_100000043371_200011794416 [0,1,0,0,0,0|3,0,0]=4 96 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)Br 207a_100000750434_200011794416 [0,1,0,0,0,0|3,0,0]=4 97 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)Br 270302a_100000750434_200011794416 [0,1,0,0,0,0|3,0,0]=4 98 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)Cl 207a_100000210441_200011794416 [0,1,0,0,0,0|3,0,0]=4 99 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)Cl 270302a_100000210441_200011794416 [0,1,0,0,0,0|3,0,0]=4 100 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)F 207a_100000745574_200011794416 [0,1,0,0,0,0|3,0,0]=4 101 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)F 270302a_100000745574_200011794416 [0,1,0,0,0,0|3,0,0]=4 102 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)I 207a_100000761887_200011794416 [0,1,0,0,0,0|3,0,0]=4 103 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)I 270302a_100000761887_200011794416 [0,1,0,0,0,0|3,0,0]=4 104 B20R3.92451 Cc1c(cccc1NCc2cc3c(s2)CCC3)O 270302a_100011216573_200011794416 [0,1,0,0,0,0|3,0,0]=4 105 B20R3.92451 Cc1c(cccc1NCc2nc3c(s2)CCC3)Br 207a_100000750434_100000696605 [0,1,0,0,0,0|2,0,0]=3 106 B20R3.92451 Cc1c(cccc1NCc2nc3c(s2)CCC3)Cl 207a_100000210441_100000696605 [0,1,0,0,0,0|2,0,0]=3 107 B20R3.92451 Cc1c(cccc1NCc2nc3c(s2)CCC3)F 207a_100000745574_100000696605 [0,1,0,0,0,0|2,0,0]=3 108 B20R3.92451 Cc1c(cccc1NCc2nc3c(s2)CCC3)I 207a_100000761887_100000696605 [0,1,0,0,0,0|2,0,0]=3 109 B20R3.92451 Cc1cccc(c1C)NCc2cc3c(s2)CCC3 207a_100000210026_200011794416 [0,1,0,0,0,0|2,0,0]=3 110 B20R3.92451 Cc1cccc(c1C)NCc2cc3c(s2)CCC3 270302a_100000210026_200011794416 [0,1,0,0,0,0|2,0,0]=3 111 B20R3.92451 Cc1cccc(c1C)NCc2nc3c(s2)CCC3 207a_100000210026_100000696605 [0,1,0,0,0,0|1,0,0]=2 112 B20R3.92451 Cc1cccc(c1Cl)NCc2cc3c(s2)CCC3 207a_100000765562_200011794416 [0,1,0,0,0,0|2,0,0]=3 113 B20R3.92451 Cc1cccc(c1Cl)NCc2cc3c(s2)CCC3 270302a_100000765562_200011794416 [0,1,0,0,0,0|2,0,0]=3 114 B20R3.92451 Cc1cccc(c1Cl)NCc2nc3c(s2)CCC3 207a_100000765562_100000696605 [0,1,0,0,0,0|1,0,0]=2 115 B20R3.92451 Cc1cccc(c1F)NCc2cc3c(s2)CCC3 207a_100000697159_200011794416 [0,1,0,0,0,0|2,0,0]=3 116 B20R3.92451 Cc1cccc(c1F)NCc2cc3c(s2)CCC3 270302a_100000697159_200011794416 [0,1,0,0,0,0|2,0,0]=3 117 B20R3.92451 Cc1cccc(c1F)NCc2nc3c(s2)CCC3 207a_100000697159_100000696605 [0,1,0,0,0,0|1,0,0]=2 118 B20R3.92451 Cc1cccc(c1O)NCc2cc3c(s2)CCC3 270302a_100000756359_200011794416 [0,1,0,0,0,0|2,0,0]=3 119 B20R3.92451 Clc1c(cccc1NCc2cc3c(s2)CCC3)Br 207a_100000687075_200011794416 [0,1,0,0,0,0|3,0,0]=4 120 B20R3.92451 Clc1c(cccc1NCc2cc3c(s2)CCC3)Br 270302a_100000687075_200011794416 [0,1,0,0,0,0|3,0,0]=4 121 B20R3.92451 Clc1c(cccc1NCc2nc3c(s2)CCC3)Br 207a_100000687075_100000696605 [0,1,0,0,0,0|2,0,0]=3 122 B20R3.92451 Clc1cccc(c1Cl)NCc2cc3c(s2)CCC3 270302a_100000185733_200011794416 [0,1,0,0,0,0|3,0,0]=4 123 B20R3.92451 Fc1c(cccc1NCc2cc3c(s2)CCC3)Br 207a_100011935091_200011794416 [0,1,0,0,0,0|3,0,0]=4 124 B20R3.92451 Fc1c(cccc1NCc2cc3c(s2)CCC3)Br 270302a_100011935091_200011794416 [0,1,0,0,0,0|3,0,0]=4 125 B20R3.92451 Fc1c(cccc1NCc2cc3c(s2)CCC3)Cl 207a_100000199060_200011794416 [0,1,0,0,0,0|3,0,0]=4 126 B20R3.92451 Fc1c(cccc1NCc2cc3c(s2)CCC3)Cl 270302a_100000199060_200011794416 [0,1,0,0,0,0|3,0,0]=4 127 B20R3.92451 Fc1c(cccc1NCc2nc3c(s2)CCC3)Br 207a_100011935091_100000696605 [0,1,0,0,0,0|2,0,0]=3 128 B20R3.92451 Fc1c(cccc1NCc2nc3c(s2)CCC3)Cl 207a_100000199060_100000696605 [0,1,0,0,0,0|2,0,0]=3 129 B20R3.92451 Fc1cccc(c1Br)NCc2cc3c(s2)CCC3 270302a_100011934729_200011794416 [0,1,0,0,0,0|3,0,0]=4 130 B20R3.92451 Fc1cccc(c1Cl)NCc2cc3c(s2)CCC3 270302a_100000692321_200011794416 [0,1,0,0,0,0|3,0,0]=4 131 B20R3.92451 Fc1cccc(c1F)NCc2cc3c(s2)CCC3 270302a_100000743855_200011794416 [0,1,0,0,0,0|3,0,0]=4 132 B20R3.92451 Oc1c(cccc1NCc2cc3c(s2)CCC3)Cl 270302a_100000754742_200011794416 [0,1,0,0,0,0|3,0,0]=4 133 B20R3.92451 Oc1c(cccc1NCc2cc3c(s2)CCC3)F 270302a_100011934987_200011794416 [0,1,0,0,0,0|3,0,0]=4 134 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)Br 270302a_100000745044_200011794416 [0,1,0,0,0,0|2,0,0]=3 135 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)C 207a_100000185781_200011794416 [0,1,0,0,0,0|2,0,0]=3 136 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)C 270302a_100000185781_200011794416 [0,1,0,0,0,0|2,0,0]=3 137 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 207a_100011215360_200011794416 [0,1,0,0,0,0|2,0,0]=3 138 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100011215360_200011794416 [0,1,0,0,0,0|2,0,0]=3 139 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 207a_100000211285_200011794416 [0,1,0,0,0,0|2,0,0]=3 140 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 270302a_100000211285_200011794416 [0,1,0,0,0,0|2,0,0]=3 141 B20R3.303736 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)I 270302a_100011216686_200011794416 [0,1,0,0,0,0|2,0,0]=3 142 B20R3.303736 Cc1ccc(c(c1)NCc2nc3c(s2)CCC3)C 207a_100000185781_100000696605 [0,1,0,0,0,0|1,0,0]=2 143 B20R3.303736 Cc1ccc(c(c1)NCc2nc3c(s2)CCC3)Cl 207a_100011215360_100000696605 [0,1,0,0,0,0|1,0,0]=2 144 B20R3.303736 Cc1ccc(c(c1)NCc2nc3c(s2)CCC3)F 207a_100000211285_100000696605 [0,1,0,0,0,0|1,0,0]=2 145 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)Br 207a_100000741167_200011794416 [0,1,0,0,0,0|3,0,0]=4 146 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)Br 270302a_100000741167_200011794416 [0,1,0,0,0,0|3,0,0]=4 147 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)Cl 207a_100000211374_200011794416 [0,1,0,0,0,0|3,0,0]=4 148 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)Cl 270302a_100000211374_200011794416 [0,1,0,0,0,0|3,0,0]=4 149 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)F 207a_100000211107_200011794416 [0,1,0,0,0,0|3,0,0]=4 150 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)F 270302a_100000211107_200011794416 [0,1,0,0,0,0|3,0,0]=4 151 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)I 207a_100000761890_200011794416 [0,1,0,0,0,0|3,0,0]=4 152 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)I 270302a_100000761890_200011794416 [0,1,0,0,0,0|3,0,0]=4 153 B20R3.303736 Cc1ccc(cc1NCc2cc3c(s2)CCC3)O 270302a_100011216113_200011794416 [0,1,0,0,0,0|3,0,0]=4 154 B20R3.303736 Cc1ccc(cc1NCc2nc3c(s2)CCC3)Br 207a_100000741167_100000696605 [0,1,0,0,0,0|2,0,0]=3 155 B20R3.303736 Cc1ccc(cc1NCc2nc3c(s2)CCC3)Cl 207a_100000211374_100000696605 [0,1,0,0,0,0|2,0,0]=3 156 B20R3.303736 Cc1ccc(cc1NCc2nc3c(s2)CCC3)F 207a_100000211107_100000696605 [0,1,0,0,0,0|2,0,0]=3 157 B20R3.303736 Cc1ccc(cc1NCc2nc3c(s2)CCC3)I 207a_100000761890_100000696605 [0,1,0,0,0,0|2,0,0]=3 158 B20R3.303736 Clc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100000184485_200011794416 [0,1,0,0,0,0|3,0,0]=4 159 B20R3.303736 Clc1ccc(cc1NCc2cc3c(s2)CCC3)Br 270302a_100000750497_200011794416 [0,1,0,0,0,0|3,0,0]=4 160 B20R3.303736 Clc1ccc(cc1NCc2cc3c(s2)CCC3)I 270302a_200000761891_200011794416 [0,1,0,0,0,0|3,0,0]=4 161 B20R3.303736 Fc1ccc(c(c1)NCc2cc3c(s2)CCC3)Br 270302a_100000687223_200011794416 [0,1,0,0,0,0|3,0,0]=4 162 B20R3.303736 Fc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100000751338_200011794416 [0,1,0,0,0,0|3,0,0]=4 163 B20R3.303736 Fc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 207a_100000210742_200011794416 [0,1,0,0,0,0|3,0,0]=4 164 B20R3.303736 Fc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 270302a_100000210742_200011794416 [0,1,0,0,0,0|3,0,0]=4 165 B20R3.303736 Fc1ccc(c(c1)NCc2nc3c(s2)CCC3)F 207a_100000210742_100000696605 [0,1,0,0,0,0|2,0,0]=3 166 B20R3.303736 Fc1ccc(cc1NCc2cc3c(s2)CCC3)Br 207a_100000740924_200011794416 [0,1,0,0,0,0|3,0,0]=4 167 B20R3.303736 Fc1ccc(cc1NCc2cc3c(s2)CCC3)Br 270302a_100000740924_200011794416 [0,1,0,0,0,0|3,0,0]=4 168 B20R3.303736 Fc1ccc(cc1NCc2cc3c(s2)CCC3)Cl 207a_100000212115_200011794416 [0,1,0,0,0,0|3,0,0]=4 169 B20R3.303736 Fc1ccc(cc1NCc2cc3c(s2)CCC3)Cl 270302a_100000212115_200011794416 [0,1,0,0,0,0|3,0,0]=4 170 B20R3.303736 Fc1ccc(cc1NCc2cc3c(s2)CCC3)I 207a_100011464823_200011794416 [0,1,0,0,0,0|3,0,0]=4 171 B20R3.303736 Fc1ccc(cc1NCc2cc3c(s2)CCC3)I 270302a_100011464823_200011794416 [0,1,0,0,0,0|3,0,0]=4 172 B20R3.303736 Fc1ccc(cc1NCc2nc3c(s2)CCC3)Br 207a_100000740924_100000696605 [0,1,0,0,0,0|2,0,0]=3 173 B20R3.303736 Fc1ccc(cc1NCc2nc3c(s2)CCC3)Cl 207a_100000212115_100000696605 [0,1,0,0,0,0|2,0,0]=3 174 B20R3.303736 Fc1ccc(cc1NCc2nc3c(s2)CCC3)I 207a_100011464823_100000696605 [0,1,0,0,0,0|2,0,0]=3 175 B20R3.303736 Oc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 270302a_100012017239_200011794416 [0,1,0,0,0,0|3,0,0]=4 176 B20R3.405034 Brc1cc(ccc1I)NCc2cc3c(s2)CCC3 207a_100000750458_200011794416 [0,1,0,0,0,0|3,0,0]=4 177 B20R3.405034 Brc1cc(ccc1I)NCc2cc3c(s2)CCC3 270302a_100000750458_200011794416 [0,1,0,0,0,0|3,0,0]=4 178 B20R3.405034 Brc1cc(ccc1I)NCc2nc3c(s2)CCC3 207a_100000750458_100000696605 [0,1,0,0,0,0|2,0,0]=3 179 B20R3.405034 Brc1ccc(cc1Br)NCc2cc3c(s2)CCC3 207a_100011306057_200011794416 [0,1,0,0,0,0|3,0,0]=4 180 B20R3.405034 Brc1ccc(cc1Br)NCc2cc3c(s2)CCC3 270302a_100011306057_200011794416 [0,1,0,0,0,0|3,0,0]=4 181 B20R3.405034 Brc1ccc(cc1Br)NCc2nc3c(s2)CCC3 207a_100011306057_100000696605 [0,1,0,0,0,0|2,0,0]=3 182 B20R3.405034 Brc1ccc(cc1I)NCc2cc3c(s2)CCC3 207a_100000750459_200011794416 [0,1,0,0,0,0|3,0,0]=4 183 B20R3.405034 Brc1ccc(cc1I)NCc2cc3c(s2)CCC3 270302a_100000750459_200011794416 [0,1,0,0,0,0|3,0,0]=4 184 B20R3.405034 Brc1ccc(cc1I)NCc2nc3c(s2)CCC3 207a_100000750459_100000696605 [0,1,0,0,0,0|2,0,0]=3 185 B20R3.405034 Cc1cc(ccc1Br)NCc2cc3c(s2)CCC3 207a_100000210723_200011794416 [0,1,0,0,0,0|2,0,0]=3 186 B20R3.405034 Cc1cc(ccc1Br)NCc2cc3c(s2)CCC3 270302a_100000210723_200011794416 [0,1,0,0,0,0|2,0,0]=3 187 B20R3.405034 Cc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100000210723_100000696605 [0,1,0,0,0,0|1,0,0]=2 188 B20R3.405034 Cc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 207a_100000187808_200011794416 [0,1,0,0,0,0|2,0,0]=3 189 B20R3.405034 Cc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 270302a_100000187808_200011794416 [0,1,0,0,0,0|2,0,0]=3 190 B20R3.405034 Cc1cc(ccc1Cl)NCc2nc3c(s2)CCC3 207a_100000187808_100000696605 [0,1,0,0,0,0|1,0,0]=2 191 B20R3.405034 Cc1cc(ccc1F)NCc2cc3c(s2)CCC3 207a_100000750164_200011794416 [0,1,0,0,0,0|2,0,0]=3 192 B20R3.405034 Cc1cc(ccc1F)NCc2cc3c(s2)CCC3 270302a_100000750164_200011794416 [0,1,0,0,0,0|2,0,0]=3 193 B20R3.405034 Cc1cc(ccc1F)NCc2nc3c(s2)CCC3 207a_100000750164_100000696605 [0,1,0,0,0,0|1,0,0]=2 194 B20R3.405034 Cc1cc(ccc1I)NCc2cc3c(s2)CCC3 207a_100000198070_200011794416 [0,1,0,0,0,0|2,0,0]=3 195 B20R3.405034 Cc1cc(ccc1I)NCc2cc3c(s2)CCC3 270302a_100000198070_200011794416 [0,1,0,0,0,0|2,0,0]=3 196 B20R3.405034 Cc1cc(ccc1I)NCc2nc3c(s2)CCC3 207a_100000198070_100000696605 [0,1,0,0,0,0|1,0,0]=2 197 B20R3.405034 Cc1cc(ccc1O)NCc2cc3c(s2)CCC3 270302a_100011218179_200011794416 [0,1,0,0,0,0|2,0,0]=3 198 B20R3.405034 Cc1ccc(cc1Br)NCc2cc3c(s2)CCC3 207a_100000736455_200011794416 [0,1,0,0,0,0|3,0,0]=4 199 B20R3.405034 Cc1ccc(cc1Br)NCc2cc3c(s2)CCC3 270302a_100000736455_200011794416 [0,1,0,0,0,0|3,0,0]=4 200 B20R3.405034 Cc1ccc(cc1Br)NCc2nc3c(s2)CCC3 207a_100000736455_100000696605 [0,1,0,0,0,0|2,0,0]=3 201 B20R3.405034 Cc1ccc(cc1C)NCc2cc3c(s2)CCC3 207a_100000724040_200011794416 [0,1,0,0,0,0|2,0,0]=3 202 B20R3.405034 Cc1ccc(cc1C)NCc2cc3c(s2)CCC3 270302a_100000724040_200011794416 [0,1,0,0,0,0|2,0,0]=3 203 B20R3.405034 Cc1ccc(cc1C)NCc2nc3c(s2)CCC3 207a_100000724040_100000696605 [0,1,0,0,0,0|1,0,0]=2 204 B20R3.405034 Cc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 207a_100000188892_200011794416 [0,1,0,0,0,0|3,0,0]=4 205 B20R3.405034 Cc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 270302a_100000188892_200011794416 [0,1,0,0,0,0|3,0,0]=4 206 B20R3.405034 Cc1ccc(cc1Cl)NCc2nc3c(s2)CCC3 207a_100000188892_100000696605 [0,1,0,0,0,0|2,0,0]=3 207 B20R3.405034 Cc1ccc(cc1F)NCc2cc3c(s2)CCC3 207a_100000210958_200011794416 [0,1,0,0,0,0|3,0,0]=4 208 B20R3.405034 Cc1ccc(cc1F)NCc2cc3c(s2)CCC3 270302a_100000210958_200011794416 [0,1,0,0,0,0|3,0,0]=4 209 B20R3.405034 Cc1ccc(cc1F)NCc2nc3c(s2)CCC3 207a_100000210958_100000696605 [0,1,0,0,0,0|2,0,0]=3 210 B20R3.405034 Cc1ccc(cc1I)NCc2cc3c(s2)CCC3 207a_100000184131_200011794416 [0,1,0,0,0,0|3,0,0]=4 211 B20R3.405034 Cc1ccc(cc1I)NCc2cc3c(s2)CCC3 270302a_100000184131_200011794416 [0,1,0,0,0,0|3,0,0]=4 212 B20R3.405034 Cc1ccc(cc1I)NCc2nc3c(s2)CCC3 207a_100000184131_100000696605 [0,1,0,0,0,0|2,0,0]=3 213 B20R3.405034 Cc1ccc(cc1O)NCc2cc3c(s2)CCC3 270302a_100000759471_200011794416 [0,1,0,0,0,0|3,0,0]=4 214 B20R3.405034 Clc1cc(ccc1Br)NCc2cc3c(s2)CCC3 207a_100000687081_200011794416 [0,1,0,0,0,0|3,0,0]=4 215 B20R3.405034 Clc1cc(ccc1Br)NCc2cc3c(s2)CCC3 270302a_100000687081_200011794416 [0,1,0,0,0,0|3,0,0]=4 216 B20R3.405034 Clc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100000687081_100000696605 [0,1,0,0,0,0|2,0,0]=3 217 B20R3.405034 Clc1cc(ccc1I)NCc2cc3c(s2)CCC3 207a_100000761885_200011794416 [0,1,0,0,0,0|3,0,0]=4 218 B20R3.405034 Clc1cc(ccc1I)NCc2cc3c(s2)CCC3 270302a_100000761885_200011794416 [0,1,0,0,0,0|3,0,0]=4 219 B20R3.405034 Clc1cc(ccc1I)NCc2nc3c(s2)CCC3 207a_100000761885_100000696605 [0,1,0,0,0,0|2,0,0]=3 220 B20R3.405034 Clc1ccc(cc1Br)NCc2cc3c(s2)CCC3 207a_100000686031_200011794416 [0,1,0,0,0,0|3,0,0]=4 221 B20R3.405034 Clc1ccc(cc1Br)NCc2cc3c(s2)CCC3 270302a_100000686031_200011794416 [0,1,0,0,0,0|3,0,0]=4 222 B20R3.405034 Clc1ccc(cc1Br)NCc2nc3c(s2)CCC3 207a_100000686031_100000696605 [0,1,0,0,0,0|2,0,0]=3 223 B20R3.405034 Clc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 207a_100000184108_200011794416 [0,1,0,0,0,0|3,0,0]=4 224 B20R3.405034 Clc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 270302a_100000184108_200011794416 [0,1,0,0,0,0|3,0,0]=4 225 B20R3.405034 Clc1ccc(cc1Cl)NCc2nc3c(s2)CCC3 207a_100000184108_100000696605 [0,1,0,0,0,0|2,0,0]=3 226 B20R3.405034 Clc1ccc(cc1I)NCc2cc3c(s2)CCC3 207a_100012360549_200011794416 [0,1,0,0,0,0|3,0,0]=4 227 B20R3.405034 Clc1ccc(cc1I)NCc2cc3c(s2)CCC3 270302a_100012360549_200011794416 [0,1,0,0,0,0|3,0,0]=4 228 B20R3.405034 Clc1ccc(cc1I)NCc2nc3c(s2)CCC3 207a_100012360549_100000696605 [0,1,0,0,0,0|2,0,0]=3 229 B20R3.405034 Fc1cc(ccc1Br)NCc2cc3c(s2)CCC3 207a_100000759894_200011794416 [0,1,0,0,0,0|3,0,0]=4 230 B20R3.405034 Fc1cc(ccc1Br)NCc2cc3c(s2)CCC3 270302a_100000759894_200011794416 [0,1,0,0,0,0|3,0,0]=4 231 B20R3.405034 Fc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100000759894_100000696605 [0,1,0,0,0,0|2,0,0]=3 232 B20R3.405034 Fc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 207a_100000739366_200011794416 [0,1,0,0,0,0|3,0,0]=4 233 B20R3.405034 Fc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 270302a_100000739366_200011794416 [0,1,0,0,0,0|3,0,0]=4 234 B20R3.405034 Fc1cc(ccc1Cl)NCc2nc3c(s2)CCC3 207a_100000739366_100000696605 [0,1,0,0,0,0|2,0,0]=3 235 B20R3.405034 Fc1cc(ccc1I)NCc2cc3c(s2)CCC3 207a_100011356925_200011794416 [0,1,0,0,0,0|3,0,0]=4 236 B20R3.405034 Fc1cc(ccc1I)NCc2cc3c(s2)CCC3 270302a_100011356925_200011794416 [0,1,0,0,0,0|3,0,0]=4 237 B20R3.405034 Fc1cc(ccc1I)NCc2nc3c(s2)CCC3 207a_100011356925_100000696605 [0,1,0,0,0,0|2,0,0]=3 238 B20R3.405034 Fc1ccc(cc1Br)NCc2cc3c(s2)CCC3 207a_100000760356_200011794416 [0,1,0,0,0,0|3,0,0]=4 239 B20R3.405034 Fc1ccc(cc1Br)NCc2cc3c(s2)CCC3 270302a_100000760356_200011794416 [0,1,0,0,0,0|3,0,0]=4 240 B20R3.405034 Fc1ccc(cc1Br)NCc2nc3c(s2)CCC3 207a_100000760356_100000696605 [0,1,0,0,0,0|2,0,0]=3 241 B20R3.405034 Fc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 207a_100000211060_200011794416 [0,1,0,0,0,0|3,0,0]=4 242 B20R3.405034 Fc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 270302a_100000211060_200011794416 [0,1,0,0,0,0|3,0,0]=4 243 B20R3.405034 Fc1ccc(cc1Cl)NCc2nc3c(s2)CCC3 207a_100000211060_100000696605 [0,1,0,0,0,0|2,0,0]=3 244 B20R3.405034 Fc1ccc(cc1F)NCc2cc3c(s2)CCC3 207a_100000210724_200011794416 [0,1,0,0,0,0|3,0,0]=4 245 B20R3.405034 Fc1ccc(cc1F)NCc2cc3c(s2)CCC3 270302a_100000210724_200011794416 [0,1,0,0,0,0|3,0,0]=4 246 B20R3.405034 Fc1ccc(cc1F)NCc2nc3c(s2)CCC3 207a_100000210724_100000696605 [0,1,0,0,0,0|2,0,0]=3 247 B20R3.405034 Fc1ccc(cc1I)NCc2cc3c(s2)CCC3 207a_114828291077_200011794416 [0,1,0,0,0,0|3,0,0]=4 248 B20R3.405034 Fc1ccc(cc1I)NCc2cc3c(s2)CCC3 270302a_114828291077_200011794416 [0,1,0,0,0,0|3,0,0]=4 249 B20R3.405034 Fc1ccc(cc1I)NCc2nc3c(s2)CCC3 207a_114828291077_100000696605 [0,1,0,0,0,0|2,0,0]=3 250 B20R3.405034 Oc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 270302a_100011934209_200011794416 [0,1,0,0,0,0|3,0,0]=4 251 B20R3.405034 Oc1cc(ccc1F)NCc2cc3c(s2)CCC3 270302a_100012017398_200011794416 [0,1,0,0,0,0|3,0,0]=4 252 B20R3.405034 Oc1ccc(cc1Br)NCc2cc3c(s2)CCC3 270302a_100011534360_200011794416 [0,1,0,0,0,0|3,0,0]=4 253 B20R3.405034 Oc1ccc(cc1Cl)NCc2cc3c(s2)CCC3 270302a_100000744943_200011794416 [0,1,0,0,0,0|3,0,0]=4 254 B20R3.405034 Oc1ccc(cc1F)NCc2cc3c(s2)CCC3 270302a_100011220035_200011794416 [0,1,0,0,0,0|3,0,0]=4 255 B18R2.2872 Cc1ccnc(c1)CSc2nc(c(s2)C)CO 62a_100000718516_100010127906 [0,0,1,0,0,0|3,0,0]=4 256 B18R2.2872 Cc1ccnc(c1)CSc2nc(c(s2)C)CO 62a_100010127906_100000718516 [0,0,1,0,0,0|3,0,0]=4 257 B18R2.2872 Cc1ccnc(c1)CSc2nc(c(s2)CO)C 62a_100000718516_100010264302 [0,0,1,0,0,0|3,0,0]=4 258 B18R2.2872 Cc1ccnc(c1)CSc2nc(c(s2)CO)C 62a_100010264302_100000718516 [0,0,1,0,0,0|3,0,0]=4 259 B18R2.3900 Cc1ccnc(c1)NNC(=O)CC2=CCCC2 22a_100000746014_100000050221 [0,0,1,0,0,0|2,1,0]=4 260 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)Br 207a_100000210019_100000085172 [0,0,1,0,0,0|3,0,0]=4 261 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)Br 270302a_100000210019_100000085172 [0,0,1,0,0,0|3,0,0]=4 262 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)C 207a_100000188690_100000085172 [0,0,1,0,0,0|2,0,0]=3 263 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)C 270302a_100000188690_100000085172 [0,0,1,0,0,0|2,0,0]=3 264 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)Cl 207a_100000185859_100000085172 [0,0,1,0,0,0|3,0,0]=4 265 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)Cl 270302a_100000185859_100000085172 [0,0,1,0,0,0|3,0,0]=4 266 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)F 207a_100000210047_100000085172 [0,0,1,0,0,0|3,0,0]=4 267 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)F 270302a_100000210047_100000085172 [0,0,1,0,0,0|3,0,0]=4 268 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)I 207a_100000211102_100000085172 [0,0,1,0,0,0|3,0,0]=4 269 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)I 270302a_100000211102_100000085172 [0,0,1,0,0,0|3,0,0]=4 270 B18R2.5599 CCCc1ccc(s1)CNc2cccc(c2)O 270302a_100000210217_100000085172 [0,0,1,0,0,0|3,0,0]=4 271 B18R2.5599 CCCc1ccc(s1)SCc2cc(ccn2)C 62a_100000718516_100010157708 [0,0,1,0,0,0|3,0,0]=4 272 B18R2.5599 CCCc1ccc(s1)SCc2cc(ccn2)C 62a_100010157708_100000718516 [0,0,1,0,0,0|3,0,0]=4 273 B18R2.5599 CCCc1nc(cs1)CNc2cccc(c2)C 2230a_100000188690_100000736013 [0,0,1,0,0,0|3,0,0]=4 274 B18R2.5599 CCCc1nc(cs1)CNc2cccc(c2)C 34a_100000188690_100000736013 [0,0,1,0,0,0|3,0,0]=4 275 B18R2.5599 CCCc1nc(cs1)CSc2cc(ccn2)C 62a_100000736013_100000750283 [0,0,1,0,0,0|3,0,0]=4 276 B18R2.5599 CCCc1nc(cs1)CSc2cc(ccn2)C 62a_100000750283_100000736013 [0,0,1,0,0,0|3,0,0]=4 277 B18R2.5599 CCCc1nc(no1)CNc2cccc(c2)C 2230a_100000188690_100000736220 [0,0,1,0,0,0|3,0,0]=4 278 B18R2.5599 CCCc1nc(no1)CNc2cccc(c2)C 34a_100000188690_100000736220 [0,0,1,0,0,0|3,0,0]=4 279 B18R2.5599 CCCc1nc(no1)CSc2cc(ccn2)C 62a_100000736220_100000750283 [0,0,1,0,0,0|3,0,0]=4 280 B18R2.5599 CCCc1nc(no1)CSc2cc(ccn2)C 62a_100000750283_100000736220 [0,0,1,0,0,0|3,0,0]=4 281 B18R2.5599 CCCc1ncc(s1)CNc2cccc(c2)C 207a_100000188690_200000687269 [0,0,1,0,0,0|3,0,0]=4 282 B18R2.5599 CCCc1ncc(s1)CNc2cccc(c2)C 270302a_100000188690_200000687269 [0,0,1,0,0,0|3,0,0]=4 283 B18R2.5599 CCCc1noc(n1)CNc2cccc(c2)C 2230a_100000188690_200000735705 [0,0,1,0,0,0|2,1,0]=4 284 B18R2.5599 CCCc1noc(n1)CNc2cccc(c2)C 34a_100000188690_200000735705 [0,0,1,0,0,0|2,1,0]=4 285 B18R2.5599 CCCc1noc(n1)CSc2cc(ccn2)C 62a_100000750283_200000735705 [0,0,1,0,0,0|2,1,0]=4 286 B18R2.5599 CCCc1noc(n1)CSc2cc(ccn2)C 62a_200000735705_100000750283 [0,0,1,0,0,0|2,1,0]=4 287 B18R3.31892 Cc1ccnc(c1)Sc2cn3c(n2)CCC3 62a_100000750283_100015205953 [0,0,0,0,1,0|3,0,0]=4 288 B18R3.31892 Cc1ccnc(c1)Sc2cn3c(n2)CCC3 62a_100015205953_100000750283 [0,0,0,0,1,0|3,0,0]=4 289 B20R3.91525 Brc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000210019_100011794407 [0,0,0,0,0,1|3,0,0]=4 290 B20R3.91525 Brc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000210019_100011794407 [0,0,0,0,0,1|3,0,0]=4 291 B20R3.91525 Brc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100010173614_100015205579 [0,0,0,0,0,1|3,0,0]=4 292 B20R3.91525 Brc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100015205579_100010173614 [0,0,0,0,0,1|3,0,0]=4 293 B20R3.91525 Cc1cc(ccn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000758586 [0,0,0,0,0,1|2,0,0]=3 294 B20R3.91525 Cc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000744208 [0,0,0,0,0,1|1,0,0]=2 295 B20R3.91525 Cc1cccc(c1)C=Cc2nc3c(s2)CNCC3 271570a_200135466880_100015205579 [0,0,0,0,0,1|2,0,1]=4 296 B20R3.91525 Cc1cccc(c1)CSc2nc3c(s2)CNCC3 62a_100000211840_100015205579 [0,0,0,0,0,1|3,0,0]=4 297 B20R3.91525 Cc1cccc(c1)CSc2nc3c(s2)CNCC3 62a_100015205579_100000211840 [0,0,0,0,0,1|3,0,0]=4 298 B20R3.91525 Cc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000188690_100011794407 [0,0,0,0,0,1|2,0,0]=3 299 B20R3.91525 Cc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000188690_100011794407 [0,0,0,0,0,1|2,0,0]=3 300 B20R3.91525 Cc1ccnc(c1)CSc2cc3c(s2)CCCC3 62a_100000718516_100010127270 [0,0,0,0,0,1|3,0,0]=4 301 B20R3.91525 Cc1ccnc(c1)CSc2cc3c(s2)CCCC3 62a_100010127270_100000718516 [0,0,0,0,0,1|3,0,0]=4 302 B20R3.91525 Cc1ccnc(c1)CSc2cc3c(s2)CCNC3 62a_100000718516_100025757484 [0,0,0,0,0,1|3,0,0]=4 303 B20R3.91525 Cc1ccnc(c1)CSc2cc3c(s2)CCNC3 62a_100025757484_100000718516 [0,0,0,0,0,1|3,0,0]=4 304 B20R3.91525 Cc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100000718516_100015205579 [0,0,0,0,0,1|2,0,0]=3 305 B20R3.91525 Cc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100015205579_100000718516 [0,0,0,0,0,1|2,0,0]=3 306 B20R3.91525 Cc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000750684 [0,0,0,0,0,1|1,0,0]=2 307 B20R3.91525 Cc1cncc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000754123 [0,0,0,0,0,1|3,0,0]=4 308 B20R3.91525 Cc1cnnc(c1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000070100 [0,0,0,0,0,1|1,0,0]=2 309 B20R3.91525 Cc1nccc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000749937 [0,0,0,0,0,1|3,0,0]=4 310 B20R3.91525 Clc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000185859_100011794407 [0,0,0,0,0,1|3,0,0]=4 311 B20R3.91525 Clc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000185859_100011794407 [0,0,0,0,0,1|3,0,0]=4 312 B20R3.91525 Clc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100015205579_100016988179 [0,0,0,0,0,1|3,0,0]=4 313 B20R3.91525 Clc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100016988179_100015205579 [0,0,0,0,0,1|3,0,0]=4 314 B20R3.91525 Fc1cc(ccn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100009816116 [0,0,0,0,0,1|3,0,0]=4 315 B20R3.91525 Fc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_200009880791 [0,0,0,0,0,1|2,0,0]=3 316 B20R3.91525 Fc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000210047_100011794407 [0,0,0,0,0,1|3,0,0]=4 317 B20R3.91525 Fc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000210047_100011794407 [0,0,0,0,0,1|3,0,0]=4 318 B20R3.91525 Fc1cccc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100009815982 [0,0,0,0,0,1|3,0,0]=4 319 B20R3.91525 Fc1ccnc(c1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000764206 [0,0,0,0,0,1|1,0,0]=2 320 B20R3.91525 Ic1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000211102_100011794407 [0,0,0,0,0,1|3,0,0]=4 321 B20R3.91525 Ic1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000211102_100011794407 [0,0,0,0,0,1|3,0,0]=4 322 B20R3.91525 Nc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000701291 [0,0,0,0,0,1|2,0,0]=3 323 B20R3.91525 Nc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000757536 [0,0,0,0,0,1|2,0,0]=3 324 B20R3.91525 Nc1ncnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000123831 [0,0,0,0,0,1|3,0,0]=4 325 B20R3.91525 O=c1cc(cc[nH]1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000061649 [0,0,0,0,0,1|3,0,0]=4 326 B20R3.91525 Oc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000765262 [0,0,0,0,0,1|2,0,0]=3 327 B20R3.91525 Oc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000210217_100011794407 [0,0,0,0,0,1|3,0,0]=4 328 B20R3.91525 Oc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100011649813 [0,0,0,0,0,1|2,0,0]=3 329 B20R3.91525 [O-][n+]1ccnc(c1)NCc2nc3c(s2)CCCC3 27a_100000750234_100009880115 [0,0,0,0,0,1|2,0,0]=3 330 B20R3.92042 Brc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000174977_200011794416 [0,0,0,0,0,1|3,0,0]=4 331 B20R3.92042 Brc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000174977_200011794416 [0,0,0,0,0,1|3,0,0]=4 332 B20R3.92042 Brc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000174977_100000696605 [0,0,0,0,0,1|2,0,0]=3 333 B20R3.92042 Brc1cccc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000217339_100000696605 [0,0,0,0,0,1|2,0,1]=4 334 B20R3.92042 Brc1ccnc(c1)NN=Cc2cc3c(s2)CCC3 4a_100000764631_200011794416 [0,0,0,0,0,1|2,0,1]=4 335 B20R3.92042 Brc1ccnc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000764631_100000696605 [0,0,0,0,0,1|1,0,1]=3 336 B20R3.92042 Brc1cncc(c1)CNCc2nc3c(s2)CCC3 207a_100011249555_100000696605 [0,0,0,0,0,1|3,0,0]=4 337 B20R3.92042 Cc1cc(ccn1)CNCc2cc3c(s2)CCC3 207a_100011934566_200011794416 [0,0,0,0,0,1|3,0,0]=4 338 B20R3.92042 Cc1cc(ccn1)CNCc2cc3c(s2)CCC3 270004a_100011934566_200011794416 [0,0,0,0,0,1|3,0,0]=4 339 B20R3.92042 Cc1cc(ccn1)CNCc2nc3c(s2)CCC3 207a_100011934566_100000696605 [0,0,0,0,0,1|2,0,0]=3 340 B20R3.92042 Cc1cc(ccn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000758586 [0,0,0,0,0,1|2,0,0]=3 341 B20R3.92042 Cc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000744208 [0,0,0,0,0,1|1,0,0]=2 342 B20R3.92042 Cc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000185548_200011794416 [0,0,0,0,0,1|2,0,0]=3 343 B20R3.92042 Cc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000185548_200011794416 [0,0,0,0,0,1|2,0,0]=3 344 B20R3.92042 Cc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000185548_100000696605 [0,0,0,0,0,1|1,0,0]=2 345 B20R3.92042 Cc1cccc(c1)NN=Cc2cc3c(s2)CCC3 4a_100000681630_200011794416 [0,0,0,0,0,1|2,0,1]=4 346 B20R3.92042 Cc1cccc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000681630_100000696605 [0,0,0,0,0,1|1,0,1]=3 347 B20R3.92042 Cc1cccc(n1)NN=Cc2nc3c(s2)CCC3 4a_100011363444_100000696605 [0,0,0,0,0,1|2,0,1]=4 348 B20R3.92042 Cc1ccnc(c1)CNCc2cn3c(n2)SCC3 207a_100000721633_100011361488 [0,0,0,0,0,1|3,0,0]=4 349 B20R3.92042 Cc1ccnc(c1)CNCc2cn3c(n2)SCC3 270004a_100000721633_100011361488 [0,0,0,0,0,1|3,0,0]=4 350 B20R3.92042 Cc1ccnc(c1)NN=Cc2cc3c(s2)CCC3 4a_100000746014_200011794416 [0,0,0,0,0,1|1,0,1]=3 351 B20R3.92042 Cc1ccnc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000746014_100000696605 [0,0,0,0,0,1|0,0,1]=2 352 B20R3.92042 Cc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000750684 [0,0,0,0,0,1|1,0,0]=2 353 B20R3.92042 Cc1ccnc(n1)NN=Cc2cc3c(s2)CCC3 4a_100011780740_200011794416 [0,0,0,0,0,1|2,0,1]=4 354 B20R3.92042 Cc1ccnc(n1)NN=Cc2nc3c(s2)CCC3 4a_100011780740_100000696605 [0,0,0,0,0,1|1,0,1]=3 355 B20R3.92042 Cc1cncc(c1)CNCc2cc3c(s2)CCC3 207a_100000692839_200011794416 [0,0,0,0,0,1|3,0,0]=4 356 B20R3.92042 Cc1cncc(c1)CNCc2cc3c(s2)CCC3 270004a_100000692839_200011794416 [0,0,0,0,0,1|3,0,0]=4 357 B20R3.92042 Cc1cncc(c1)CNCc2nc3c(s2)CCC3 207a_100000692839_100000696605 [0,0,0,0,0,1|2,0,0]=3 358 B20R3.92042 Cc1cncc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000754123 [0,0,0,0,0,1|3,0,0]=4 359 B20R3.92042 Cc1cnnc(c1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000070100 [0,0,0,0,0,1|1,0,0]=2 360 B20R3.92042 Cc1nccc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000749937 [0,0,0,0,0,1|3,0,0]=4 361 B20R3.92042 Clc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000174878_200011794416 [0,0,0,0,0,1|3,0,0]=4 362 B20R3.92042 Clc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000174878_200011794416 [0,0,0,0,0,1|3,0,0]=4 363 B20R3.92042 Clc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000174878_100000696605 [0,0,0,0,0,1|2,0,0]=3 364 B20R3.92042 Clc1cccc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000184277_100000696605 [0,0,0,0,0,1|2,0,1]=4 365 B20R3.92042 Clc1ccnc(c1)NN=Cc2cc3c(s2)CCC3 4a_100102524961_200011794416 [0,0,0,0,0,1|2,0,1]=4 366 B20R3.92042 Clc1ccnc(c1)NN=Cc2nc3c(s2)CCC3 4a_100102524961_100000696605 [0,0,0,0,0,1|1,0,1]=3 367 B20R3.92042 Clc1cncc(c1)CNCc2nc3c(s2)CCC3 207a_200020614424_100000696605 [0,0,0,0,0,1|3,0,0]=4 368 B20R3.92042 Fc1cc(ccn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100009816116 [0,0,0,0,0,1|3,0,0]=4 369 B20R3.92042 Fc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_200009880791 [0,0,0,0,0,1|2,0,0]=3 370 B20R3.92042 Fc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000174948_200011794416 [0,0,0,0,0,1|3,0,0]=4 371 B20R3.92042 Fc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000174948_200011794416 [0,0,0,0,0,1|3,0,0]=4 372 B20R3.92042 Fc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000174948_100000696605 [0,0,0,0,0,1|2,0,0]=3 373 B20R3.92042 Fc1cccc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000745080_100000696605 [0,0,0,0,0,1|2,0,1]=4 374 B20R3.92042 Fc1cccc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100009815982 [0,0,0,0,0,1|3,0,0]=4 375 B20R3.92042 Fc1ccnc(c1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000764206 [0,0,0,0,0,1|1,0,0]=2 376 B20R3.92042 Fc1cncc(c1)CNCc2nc3c(s2)CCC3 207a_100011962886_100000696605 [0,0,0,0,0,1|3,0,0]=4 377 B20R3.92042 Ic1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000106179_200011794416 [0,0,0,0,0,1|3,0,0]=4 378 B20R3.92042 Ic1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000106179_200011794416 [0,0,0,0,0,1|3,0,0]=4 379 B20R3.92042 Ic1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000106179_100000696605 [0,0,0,0,0,1|2,0,0]=3 380 B20R3.92042 Ic1cccc(c1)NN=Cc2nc3c(s2)CCC3 4a_100020605690_100000696605 [0,0,0,0,0,1|2,0,1]=4 381 B20R3.92042 Ic1ccnc(c1)NN=Cc2cc3c(s2)CCC3 4a_100010221011_200011794416 [0,0,0,0,0,1|2,0,1]=4 382 B20R3.92042 Ic1ccnc(c1)NN=Cc2nc3c(s2)CCC3 4a_100010221011_100000696605 [0,0,0,0,0,1|1,0,1]=3 383 B20R3.92042 Nc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000701291 [0,0,0,0,0,1|2,0,0]=3 384 B20R3.92042 Nc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000757536 [0,0,0,0,0,1|2,0,0]=3 385 B20R3.92042 Nc1ncnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000123831 [0,0,0,0,0,1|3,0,0]=4 386 B20R3.92042 O=c1cc(cc[nH]1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000061649 [0,0,0,0,0,1|3,0,0]=4 387 B20R3.92042 O=c1cc(nc[nH]1)NN=Cc2nc3c(s2)CCC3 4a_100000182047_100000696605 [0,0,0,0,0,1|2,0,1]=4 388 B20R3.92042 Oc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000765262 [0,0,0,0,0,1|2,0,0]=3 389 B20R3.92042 Oc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000743036_200011794416 [0,0,0,0,0,1|3,0,0]=4 390 B20R3.92042 Oc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000743036_200011794416 [0,0,0,0,0,1|3,0,0]=4 391 B20R3.92042 Oc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000743036_100000696605 [0,0,0,0,0,1|2,0,0]=3 392 B20R3.92042 Oc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100011649813 [0,0,0,0,0,1|2,0,0]=3 393 B20R3.92042 [O-][n+]1ccnc(c1)NCCc2nc3c(s2)CCC3 27a_100011225269_100009880115 [0,0,0,0,0,1|2,0,0]=3 394 B20R3.299095 Cc1cccc(c1)NCc2ccc3c(c2)CCC3 207a_100000188690_100000765347 [0,0,0,0,0,1|3,0,0]=4 395 B20R3.299095 Cc1cccc(c1)NCc2ccc3c(c2)CCC3 270302a_100000188690_100000765347 [0,0,0,0,0,1|3,0,0]=4 396 B20R3.299095 Cc1ccnc(c1)CNc2ncc3c(n2)CCC3 27a_100011934573_100009881048 [0,0,0,0,0,1|3,0,0]=4 397 B20R3.299095 Cc1ccnc(c1)CSc2ccc3c(n2)CCC3 62a_100000046531_100000718516 [0,0,0,0,0,1|3,0,0]=4 398 B20R3.299095 Cc1ccnc(c1)CSc2ccc3c(n2)CCC3 62a_100000718516_100000046531 [0,0,0,0,0,1|3,0,0]=4 399 B20R3.299095 Cc1ccnc(c1)CSc2cnc3c(c2)CCC3 62a_100000693888_100000718516 [0,0,0,0,0,1|3,0,0]=4 400 B20R3.299095 Cc1ccnc(c1)CSc2cnc3c(c2)CCC3 62a_100000718516_100000693888 [0,0,0,0,0,1|3,0,0]=4 401 B20R3.299095 Cc1ccnc(c1)CSc2ncc3c(n2)CCC3 62a_100000718516_100009881048 [0,0,0,0,0,1|3,0,0]=4 402 B20R3.299095 Cc1ccnc(c1)CSc2ncc3c(n2)CCC3 62a_100009881048_100000718516 [0,0,0,0,0,1|3,0,0]=4 403 B17R2.2522 CCc1ccc(s1)CNc2cccc(c2)C 207a_100000188690_100000746206 [1,0,1,0,0,0|2,0,0]=4 404 B17R2.2522 CCc1ccc(s1)CNc2cccc(c2)C 270302a_100000188690_100000746206 [1,0,1,0,0,0|2,0,0]=4 405 B17R2.2522 CCc1csc(n1)CNc2c[n+](ccn2)[O-] 27a_100011595562_100009880115 [1,0,1,0,0,0|2,0,0]=4 406 B17R2.2522 CCc1csc(n1)CNc2cc(ccn2)F 27a_100011595562_100000764206 [1,0,1,0,0,0|1,0,0]=3 407 B17R2.2522 CCc1csc(n1)CNc2cc(cnn2)C 27a_100011595562_100000070100 [1,0,1,0,0,0|1,0,0]=3 408 B17R2.2522 CCc1csc(n1)CNc2cc(ncn2)C 27a_100011595562_100000744208 [1,0,1,0,0,0|1,0,0]=3 409 B17R2.2522 CCc1csc(n1)CNc2cc(ncn2)F 27a_100011595562_200009880791 [1,0,1,0,0,0|2,0,0]=4 410 B17R2.2522 CCc1csc(n1)CNc2cc(ncn2)N 27a_100011595562_100000701291 [1,0,1,0,0,0|2,0,0]=4 411 B17R2.2522 CCc1csc(n1)CNc2cc(ncn2)O 27a_100011595562_100000765262 [1,0,1,0,0,0|2,0,0]=4 412 B17R2.2522 CCc1csc(n1)CNc2ccnc(c2)C 27a_100011595562_100000758586 [1,0,1,0,0,0|2,0,0]=4 413 B17R2.2522 CCc1csc(n1)CNc2nccc(n2)C 27a_100011595562_100000750684 [1,0,1,0,0,0|1,0,0]=3 414 B17R2.2522 CCc1csc(n1)CNc2nccc(n2)N 27a_100011595562_100000757536 [1,0,1,0,0,0|2,0,0]=4 415 B17R2.2522 CCc1csc(n1)CNc2nccc(n2)O 27a_100011595562_100011649813 [1,0,1,0,0,0|2,0,0]=4 416 B17R2.41892 Cc1cc(ncn1)SCc2nc(c(s2)C)C 62a_100000744208_100012347604 [1,0,1,0,0,0|2,0,0]=4 417 B17R2.41892 Cc1cc(ncn1)SCc2nc(c(s2)C)C 62a_100000763442_100000744208 [1,0,1,0,0,0|2,0,0]=4 418 B17R2.41892 Cc1cccc(c1)NCc2cc(c(s2)C)C 207a_100000188690_100011830369 [1,0,1,0,0,0|2,0,0]=4 419 B17R2.41892 Cc1cccc(c1)NCc2cc(c(s2)C)C 270302a_100000188690_100011830369 [1,0,1,0,0,0|2,0,0]=4 420 B17R2.41892 Cc1cccc(c1)NCc2nc(c(s2)C)C 207a_100000188690_100011775437 [1,0,1,0,0,0|1,0,0]=3 421 B17R2.41892 Cc1cccc(c1)NCc2nc(c(s2)C)C 2230a_100000188690_100012347604 [1,0,1,0,0,0|1,0,0]=3 422 B17R2.41892 Cc1cccc(c1)NCc2nc(c(s2)C)C 34a_100000188690_100012347604 [1,0,1,0,0,0|1,0,0]=3 423 B17R2.41892 Cc1cccc(c1)OCc2nc(c(s2)C)C 34a_100000210337_100012347604 [1,0,1,0,0,0|2,0,0]=4 424 B17R2.41892 Cc1cccc(c1)OCc2nc(c(s2)C)C 7a_100000210337_100012347604 [1,0,1,0,0,0|2,0,0]=4 425 B17R2.41892 Cc1cccc(c1)SCc2nc(c(s2)C)C 62a_100000763442_100011215228 [1,0,1,0,0,0|2,0,0]=4 426 B17R2.41892 Cc1cccc(c1)SCc2nc(c(s2)C)C 62a_100011215228_100012347604 [1,0,1,0,0,0|2,0,0]=4 427 B17R2.41892 Cc1ccnc(c1)CNc2nc(c(s2)C)C 27a_100011934573_100000765934 [1,0,1,0,0,0|2,0,0]=4 428 B17R2.41892 Cc1ccnc(c1)CSc2nc(c(s2)C)C 62a_100000718516_100000765934 [1,0,1,0,0,0|2,0,0]=4 429 B17R2.41892 Cc1ccnc(c1)CSc2nc(c(s2)C)C 62a_100000765934_100000718516 [1,0,1,0,0,0|2,0,0]=4 430 B17R2.41892 Cc1ccnc(c1)SCc2nc(c(s2)C)C 62a_100000750283_100012347604 [1,0,1,0,0,0|1,0,0]=3 431 B17R2.41892 Cc1ccnc(c1)SCc2nc(c(s2)C)C 62a_100000763442_100000750283 [1,0,1,0,0,0|1,0,0]=3 432 B17R2.41892 Cc1ccnc(n1)SCc2nc(c(s2)C)C 62a_100000763442_100011243806 [1,0,1,0,0,0|2,0,0]=4 433 B17R2.41892 Cc1ccnc(n1)SCc2nc(c(s2)C)C 62a_100011243806_100012347604 [1,0,1,0,0,0|2,0,0]=4 434 B17R2.41892 Cc1cnnc(c1)OCc2nc(c(s2)C)C 34a_100000766097_100012347604 [1,0,1,0,0,0|2,0,0]=4 435 B17R2.41892 Cc1cnnc(c1)SCc2nc(c(s2)C)C 62a_100000070100_100012347604 [1,0,1,0,0,0|2,0,0]=4 436 B17R2.41892 Cc1cnnc(c1)SCc2nc(c(s2)C)C 62a_100000763442_100000070100 [1,0,1,0,0,0|2,0,0]=4 437 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)Br 207a_100000210019_100011775437 [1,0,1,0,0,0|2,0,0]=4 438 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)Br 34a_100000210019_100012347604 [1,0,1,0,0,0|2,0,0]=4 439 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)Cl 207a_100000185859_100011775437 [1,0,1,0,0,0|2,0,0]=4 440 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)Cl 34a_100000185859_100012347604 [1,0,1,0,0,0|2,0,0]=4 441 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)F 207a_100000210047_100011775437 [1,0,1,0,0,0|2,0,0]=4 442 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)F 34a_100000210047_100012347604 [1,0,1,0,0,0|2,0,0]=4 443 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)I 207a_100000211102_100011775437 [1,0,1,0,0,0|2,0,0]=4 444 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)I 34a_100000211102_100012347604 [1,0,1,0,0,0|2,0,0]=4 445 B17R2.41892 Cc1nc(sc1C)CNc2cccc(c2)O 34a_100000210217_100012347604 [1,0,1,0,0,0|2,0,0]=4 446 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)Cl 62a_100000763442_100010167805 [1,0,1,0,0,0|2,0,0]=4 447 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)Cl 62a_100010167805_100012347604 [1,0,1,0,0,0|2,0,0]=4 448 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)F 62a_100000763442_100000764206 [1,0,1,0,0,0|2,0,0]=4 449 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)F 62a_100000764206_100012347604 [1,0,1,0,0,0|2,0,0]=4 450 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)N 62a_100000763442_100009814236 [1,0,1,0,0,0|2,0,0]=4 451 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)N 62a_100009814236_100012347604 [1,0,1,0,0,0|2,0,0]=4 452 B17R2.41892 Cc1nc(sc1C)CSc2cc(ccn2)O 62a_100000763442_100000762945 [1,0,1,0,0,0|2,0,0]=4 453 B17R2.4579 CCCc1ccc(s1)CNc2ccccc2 207a_100000106764_100000085172 [1,0,1,0,0,0|2,0,0]=4 454 B17R2.4579 CCCc1ccc(s1)CNc2ccccc2 270302a_100000106764_100000085172 [1,0,1,0,0,0|2,0,0]=4 455 B19R2.9222 Cc1ccnc(c1)CNc2nc(c(s2)C)CCO 27a_100011934573_100010201174 [0,1,1,0,0,0|2,0,0]=4 456 B19R2.9222 Cc1ccnc(c1)CSc2nc(c(s2)C)CCO 62a_100000718516_100010201174 [0,1,1,0,0,0|2,0,0]=4 457 B19R2.9222 Cc1ccnc(c1)CSc2nc(c(s2)C)CCO 62a_100010201174_100000718516 [0,1,1,0,0,0|2,0,0]=4 458 B19R2.47892 Cc1cccc(c1)NCc2ccc(s2)CC(C)C 207a_100000188690_100000068535 [0,1,1,0,0,0|2,0,0]=4 459 B19R2.47892 Cc1cccc(c1)NCc2ccc(s2)CC(C)C 270302a_100000188690_100000068535 [0,1,1,0,0,0|2,0,0]=4 460 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2Br)C 270302a_100000745044_100000085172 [0,1,1,0,0,0|2,0,0]=4 461 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2C)C 207a_100000185781_100000085172 [0,1,1,0,0,0|2,0,0]=4 462 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2C)C 270302a_100000185781_100000085172 [0,1,1,0,0,0|2,0,0]=4 463 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2Cl)C 207a_100011215360_100000085172 [0,1,1,0,0,0|2,0,0]=4 464 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2Cl)C 270302a_100011215360_100000085172 [0,1,1,0,0,0|2,0,0]=4 465 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2F)C 207a_100000211285_100000085172 [0,1,1,0,0,0|2,0,0]=4 466 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2F)C 270302a_100000211285_100000085172 [0,1,1,0,0,0|2,0,0]=4 467 B19R2.83137 CCCc1ccc(s1)CNc2cc(ccc2I)C 270302a_100011216686_100000085172 [0,1,1,0,0,0|2,0,0]=4 468 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)Br 207a_100000210723_100000085172 [0,1,1,0,0,0|2,0,0]=4 469 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)Br 270302a_100000210723_100000085172 [0,1,1,0,0,0|2,0,0]=4 470 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)C 207a_100000724040_100000085172 [0,1,1,0,0,0|2,0,0]=4 471 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)C 270302a_100000724040_100000085172 [0,1,1,0,0,0|2,0,0]=4 472 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)Cl 207a_100000187808_100000085172 [0,1,1,0,0,0|2,0,0]=4 473 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)Cl 270302a_100000187808_100000085172 [0,1,1,0,0,0|2,0,0]=4 474 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)F 207a_100000750164_100000085172 [0,1,1,0,0,0|2,0,0]=4 475 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)F 270302a_100000750164_100000085172 [0,1,1,0,0,0|2,0,0]=4 476 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)I 207a_100000198070_100000085172 [0,1,1,0,0,0|2,0,0]=4 477 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)I 270302a_100000198070_100000085172 [0,1,1,0,0,0|2,0,0]=4 478 B19R2.83145 CCCc1ccc(s1)CNc2ccc(c(c2)C)O 270302a_100011218179_100000085172 [0,1,1,0,0,0|2,0,0]=4 479 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2C)C 207a_100000210026_100000085172 [0,1,1,0,0,0|2,0,0]=4 480 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2C)C 270302a_100000210026_100000085172 [0,1,1,0,0,0|2,0,0]=4 481 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2Cl)C 207a_100000765562_100000085172 [0,1,1,0,0,0|2,0,0]=4 482 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2Cl)C 270302a_100000765562_100000085172 [0,1,1,0,0,0|2,0,0]=4 483 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2F)C 207a_100000697159_100000085172 [0,1,1,0,0,0|2,0,0]=4 484 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2F)C 270302a_100000697159_100000085172 [0,1,1,0,0,0|2,0,0]=4 485 B19R2.83149 CCCc1ccc(s1)CNc2cccc(c2O)C 270302a_100000756359_100000085172 [0,1,1,0,0,0|2,0,0]=4 486 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)CC 207a_100000211250_100000085172 [0,1,1,0,0,0|2,0,0]=4 487 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)CC 270302a_100000211250_100000085172 [0,1,1,0,0,0|2,0,0]=4 488 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)CF 207a_100000126320_100000085172 [0,1,1,0,0,0|2,0,0]=4 489 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)CF 270302a_100000126320_100000085172 [0,1,1,0,0,0|2,0,0]=4 490 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)CO 207a_100000211919_100000085172 [0,1,1,0,0,0|2,0,0]=4 491 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)CO 270302a_100000211919_100000085172 [0,1,1,0,0,0|2,0,0]=4 492 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)OC 207a_100000210024_100000085172 [0,1,1,0,0,0|2,0,0]=4 493 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)OC 270302a_100000210024_100000085172 [0,1,1,0,0,0|2,0,0]=4 494 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)SC 207a_100000210049_100000085172 [0,1,1,0,0,0|2,0,0]=4 495 B19R2.83151 CCCc1ccc(s1)CNc2cccc(c2)SC 270302a_100000210049_100000085172 [0,1,1,0,0,0|2,0,0]=4 496 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)Br)C 207a_100000695972_100000085172 [0,1,1,0,0,0|2,0,0]=4 497 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)Br)C 270302a_100000695972_100000085172 [0,1,1,0,0,0|2,0,0]=4 498 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)C)C 207a_100000210930_100000085172 [0,1,1,0,0,0|2,0,0]=4 499 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)C)C 270302a_100000210930_100000085172 [0,1,1,0,0,0|2,0,0]=4 500 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)Cl)C 207a_100012022512_100000085172 [0,1,1,0,0,0|2,0,0]=4 501 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)Cl)C 270302a_100012022512_100000085172 [0,1,1,0,0,0|2,0,0]=4 502 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)F)C 207a_100000742734_100000085172 [0,1,1,0,0,0|2,0,0]=4 503 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)F)C 270302a_100000742734_100000085172 [0,1,1,0,0,0|2,0,0]=4 504 B19R2.1049861 CCCc1ccc(s1)CNc2cc(cc(c2)O)C 270302a_100011995906_100000085172 [0,1,1,0,0,0|2,0,0]=4 505 B19R3.58005 Brc1ccccc1NCc2cc3c(s2)CCC3 207a_100000210017_200011794416 [1,1,0,0,0,0|2,0,0]=4 506 B19R3.58005 Brc1ccccc1NCc2nc3c(s2)CCC3 207a_100000210017_100000696605 [1,1,0,0,0,0|1,0,0]=3 507 B19R3.58005 Cc1ccccc1NCc2cc3c(s2)CCC3 207a_100015192222_200011794416 [1,1,0,0,0,0|2,0,0]=4 508 B19R3.58005 Cc1ccccc1NCc2cc3c(s2)CCC3 270302a_100015192222_200011794416 [1,1,0,0,0,0|2,0,0]=4 509 B19R3.58005 Cc1ccccc1NCc2nc3c(s2)CCC3 207a_100015192222_100000696605 [1,1,0,0,0,0|1,0,0]=3 510 B19R3.58005 Clc1ccccc1NCc2cc3c(s2)CCC3 207a_100000185783_200011794416 [1,1,0,0,0,0|2,0,0]=4 511 B19R3.58005 Clc1ccccc1NCc2nc3c(s2)CCC3 207a_100000185783_100000696605 [1,1,0,0,0,0|1,0,0]=3 512 B19R3.58005 Fc1ccccc1NCc2cc3c(s2)CCC3 207a_100000210422_200011794416 [1,1,0,0,0,0|2,0,0]=4 513 B19R3.58005 Fc1ccccc1NCc2nc3c(s2)CCC3 207a_100000210422_100000696605 [1,1,0,0,0,0|1,0,0]=3 514 B19R3.58005 Ic1ccccc1NCc2cc3c(s2)CCC3 207a_100000210053_200011794416 [1,1,0,0,0,0|2,0,0]=4 515 B19R3.58005 Ic1ccccc1NCc2nc3c(s2)CCC3 207a_100000210053_100000696605 [1,1,0,0,0,0|1,0,0]=3 516 B19R3.242399 Brc1ccc(cc1)NCc2cc3c(s2)CCC3 207a_100000210018_200011794416 [1,1,0,0,0,0|2,0,0]=4 517 B19R3.242399 Brc1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000210018_200011794416 [1,1,0,0,0,0|2,0,0]=4 518 B19R3.242399 Brc1ccc(cc1)NCc2nc3c(s2)CCC3 207a_100000210018_100000696605 [1,1,0,0,0,0|1,0,0]=3 519 B19R3.242399 Cc1ccc(cc1)NCc2cc3c(s2)CCC3 207a_100000124888_200011794416 [1,1,0,0,0,0|2,0,0]=4 520 B19R3.242399 Cc1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000124888_200011794416 [1,1,0,0,0,0|2,0,0]=4 521 B19R3.242399 Cc1ccc(cc1)NCc2nc3c(s2)CCC3 207a_100000124888_100000696605 [1,1,0,0,0,0|1,0,0]=3 522 B19R3.242399 Clc1ccc(cc1)NCc2cc3c(s2)CCC3 207a_100000210052_200011794416 [1,1,0,0,0,0|2,0,0]=4 523 B19R3.242399 Clc1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000210052_200011794416 [1,1,0,0,0,0|2,0,0]=4 524 B19R3.242399 Clc1ccc(cc1)NCc2nc3c(s2)CCC3 207a_100000210052_100000696605 [1,1,0,0,0,0|1,0,0]=3 525 B19R3.242399 Fc1ccc(cc1)NCc2cc3c(s2)CCC3 207a_100000185862_200011794416 [1,1,0,0,0,0|2,0,0]=4 526 B19R3.242399 Fc1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000185862_200011794416 [1,1,0,0,0,0|2,0,0]=4 527 B19R3.242399 Fc1ccc(cc1)NCc2nc3c(s2)CCC3 207a_100000185862_100000696605 [1,1,0,0,0,0|1,0,0]=3 528 B19R3.242399 Ic1ccc(cc1)NCc2cc3c(s2)CCC3 207a_100000185761_200011794416 [1,1,0,0,0,0|2,0,0]=4 529 B19R3.242399 Ic1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000185761_200011794416 [1,1,0,0,0,0|2,0,0]=4 530 B19R3.242399 Ic1ccc(cc1)NCc2nc3c(s2)CCC3 207a_100000185761_100000696605 [1,1,0,0,0,0|1,0,0]=3 531 B19R3.242399 Oc1ccc(cc1)NCc2cc3c(s2)CCC3 270302a_100000185829_200011794416 [1,1,0,0,0,0|2,0,0]=4 532 B21R3.7332 Brc1cc(cc(c1)NCc2nc3c(s2)CCCC3)Br 27a_100000750234_100009814770 [0,1,0,0,0,1|2,0,0]=4 533 B21R3.7332 Cc1cc(cc(=O)[nH]1)NCc2nc3c(s2)CCCC3 27a_100000750234_100009861981 [0,1,0,0,0,1|2,0,0]=4 534 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)Br 207a_100000695972_100011794407 [0,1,0,0,0,1|2,0,0]=4 535 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)Br 270302a_100000695972_100011794407 [0,1,0,0,0,1|2,0,0]=4 536 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)C 207a_100000210930_100011794407 [0,1,0,0,0,1|2,0,0]=4 537 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)C 270302a_100000210930_100011794407 [0,1,0,0,0,1|2,0,0]=4 538 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)Cl 207a_100012022512_100011794407 [0,1,0,0,0,1|2,0,0]=4 539 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)Cl 270302a_100012022512_100011794407 [0,1,0,0,0,1|2,0,0]=4 540 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)F 207a_100000742734_100011794407 [0,1,0,0,0,1|2,0,0]=4 541 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)F 270302a_100000742734_100011794407 [0,1,0,0,0,1|2,0,0]=4 542 B21R3.7332 Cc1cc(cc(c1)NCc2cc3c(s2)CCCC3)O 270302a_100011995906_100011794407 [0,1,0,0,0,1|2,0,0]=4 543 B21R3.7332 Cc1cc(cc(n1)C)NCc2nc3c(s2)CCCC3 27a_100000750234_100000066820 [0,1,0,0,0,1|2,0,0]=4 544 B21R3.7332 Cc1cc(cc(n1)Cl)NCc2nc3c(s2)CCCC3 27a_100000750234_100010068023 [0,1,0,0,0,1|2,0,0]=4 545 B21R3.7332 Cc1cc(cc(n1)F)NCc2nc3c(s2)CCCC3 27a_100000750234_100010006595 [0,1,0,0,0,1|2,0,0]=4 546 B21R3.7332 Cc1cc(nc(c1)CSc2nc3c(s2)CNCC3)C 62a_100012357514_100015205579 [0,1,0,0,0,1|2,0,0]=4 547 B21R3.7332 Cc1cc(nc(c1)CSc2nc3c(s2)CNCC3)C 62a_100015205579_100012357514 [0,1,0,0,0,1|2,0,0]=4 548 B21R3.7332 Cc1cc(nc(c1)NCc2nc3c(s2)CCCC3)C 27a_100000750234_100000069240 [0,1,0,0,0,1|0,0,0]=2 549 B21R3.7332 Cc1cc(nc(c1)NCc2nc3c(s2)CCCC3)F 27a_100000750234_100009819601 [0,1,0,0,0,1|0,0,0]=2 550 B21R3.7332 Cc1cc(nc(n1)C)NCc2nc3c(s2)CCCC3 27a_100000750234_100000736142 [0,1,0,0,0,1|1,0,0]=3 551 B21R3.7332 Cc1cc(nc(n1)N)NCc2nc3c(s2)CCCC3 27a_100000750234_100000183061 [0,1,0,0,0,1|1,0,0]=3 552 B21R3.7332 Cc1cc(nc(n1)NCc2nc3c(s2)CCCC3)C 27a_100000750234_100000736147 [0,1,0,0,0,1|1,0,0]=3 553 B21R3.7332 Cc1cc(nc(n1)NCc2nc3c(s2)CCCC3)N 27a_100000750234_100000687285 [0,1,0,0,0,1|1,0,0]=3 554 B21R3.7332 Cc1nc(cc(n1)NCc2nc3c(s2)CCCC3)N 27a_100000750234_100000761517 [0,1,0,0,0,1|2,0,0]=4 555 B21R3.7332 Cc1nc(cc(n1)NCc2nc3c(s2)CCCC3)O 27a_100000750234_106741647437 [0,1,0,0,0,1|2,0,0]=4 556 B21R3.7332 Cc1nc(nc(n1)NCc2nc3c(s2)CCCC3)C 27a_100000750234_100015468570 [0,1,0,0,0,1|2,0,0]=4 557 B21R3.7332 Cc1nc(nc(n1)NCc2nc3c(s2)CCCC3)N 27a_100000750234_200012022553 [0,1,0,0,0,1|2,0,0]=4 558 B21R3.7332 Nc1cc(=O)nc([nH]1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000101444 [0,1,0,0,0,1|2,0,0]=4 559 B21R3.7332 Nc1nc(cc(n1)NCc2nc3c(s2)CCCC3)O 27a_100000750234_100000694715 [0,1,0,0,0,1|2,0,0]=4 560 B21R3.8712 Cc1cc(c(cn1)F)NCc2nc3c(s2)CCCC3 27a_100000750234_100009867690 [0,1,0,0,0,1|2,0,0]=4 561 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)Br 270302a_100000745044_100011794407 [0,1,0,0,0,1|2,0,0]=4 562 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)C 207a_100000185781_100011794407 [0,1,0,0,0,1|2,0,0]=4 563 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)C 270302a_100000185781_100011794407 [0,1,0,0,0,1|2,0,0]=4 564 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)Cl 207a_100011215360_100011794407 [0,1,0,0,0,1|2,0,0]=4 565 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)Cl 270302a_100011215360_100011794407 [0,1,0,0,0,1|2,0,0]=4 566 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)F 207a_100000211285_100011794407 [0,1,0,0,0,1|2,0,0]=4 567 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)F 270302a_100000211285_100011794407 [0,1,0,0,0,1|2,0,0]=4 568 B21R3.8712 Cc1ccc(c(c1)NCc2cc3c(s2)CCCC3)I 270302a_100011216686_100011794407 [0,1,0,0,0,1|2,0,0]=4 569 B21R3.8712 Cc1cnc(c(c1)NCc2nc3c(s2)CCCC3)F 27a_100000750234_100009820679 [0,1,0,0,0,1|2,0,0]=4 570 B21R3.67358 CCc1cc(ccn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100009820011 [0,1,0,0,0,1|2,0,0]=4 571 B21R3.67358 CCc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000744278 [0,1,0,0,0,1|1,0,0]=3 572 B21R3.67358 CCc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000211250_100011794407 [0,1,0,0,0,1|2,0,0]=4 573 B21R3.67358 CCc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000211250_100011794407 [0,1,0,0,0,1|2,0,0]=4 574 B21R3.67358 CCc1ccnc(c1)NCc2nc3c(s2)CCCC3 27a_100000750234_100009817561 [0,1,0,0,0,1|0,0,0]=2 575 B21R3.67358 CCc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000100215 [0,1,0,0,0,1|1,0,0]=3 576 B21R3.67358 CNc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000756605 [0,1,0,0,0,1|1,0,0]=3 577 B21R3.67358 CNc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100011649947 [0,1,0,0,0,1|1,0,0]=3 578 B21R3.67358 COc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000049997 [0,1,0,0,0,1|1,0,0]=3 579 B21R3.67358 COc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000210024_100011794407 [0,1,0,0,0,1|2,0,0]=4 580 B21R3.67358 COc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000210024_100011794407 [0,1,0,0,0,1|2,0,0]=4 581 B21R3.67358 COc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100000752681_100015205579 [0,1,0,0,0,1|2,0,0]=4 582 B21R3.67358 COc1ccnc(c1)CSc2nc3c(s2)CNCC3 62a_100015205579_100000752681 [0,1,0,0,0,1|2,0,0]=4 583 B21R3.67358 COc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000182009 [0,1,0,0,0,1|1,0,0]=3 584 B21R3.67358 COc1ncnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_200010750123 [0,1,0,0,0,1|2,0,0]=4 585 B21R3.67358 CSc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100011443430 [0,1,0,0,0,1|1,0,0]=3 586 B21R3.67358 CSc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000210049_100011794407 [0,1,0,0,0,1|2,0,0]=4 587 B21R3.67358 CSc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000210049_100011794407 [0,1,0,0,0,1|2,0,0]=4 588 B21R3.67358 CSc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100011650323 [0,1,0,0,0,1|1,0,0]=3 589 B21R3.67358 FCc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000126320_100011794407 [0,1,0,0,0,1|2,0,0]=4 590 B21R3.67358 FCc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000126320_100011794407 [0,1,0,0,0,1|2,0,0]=4 591 B21R3.67358 N#Cc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000092509 [0,1,0,0,0,1|1,0,1]=4 592 B21R3.67358 N#Cc1ccnc(c1)NCc2nc3c(s2)CCCC3 27a_100000750234_100011291639 [0,1,0,0,0,1|0,0,1]=3 593 B21R3.67358 N#Cc1ccnc(n1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000066186 [0,1,0,0,0,1|1,0,1]=4 594 B21R3.67358 NNc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000242035 [0,1,0,0,0,1|2,0,0]=4 595 B21R3.67358 OCc1cc(ccn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000748867 [0,1,0,0,0,1|2,0,0]=4 596 B21R3.67358 OCc1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000731546 [0,1,0,0,0,1|1,0,0]=3 597 B21R3.67358 OCc1cccc(c1)NCc2cc3c(s2)CCCC3 207a_100000211919_100011794407 [0,1,0,0,0,1|2,0,0]=4 598 B21R3.67358 OCc1cccc(c1)NCc2cc3c(s2)CCCC3 270302a_100000211919_100011794407 [0,1,0,0,0,1|2,0,0]=4 599 B21R3.152148 Cc1c(ccnc1NCc2nc3c(s2)CCCC3)F 27a_100000750234_100009846374 [0,1,0,0,0,1|1,0,0]=3 600 B21R3.152148 Cc1c(ncnc1NCc2nc3c(s2)CCCC3)N 27a_100000750234_100011913465 [0,1,0,0,0,1|2,0,0]=4 601 B21R3.152148 Cc1c(ncnc1NCc2nc3c(s2)CCCC3)O 27a_100000750234_100011912821 [0,1,0,0,0,1|2,0,0]=4 602 B21R3.152148 Cc1cccc(c1C)NCc2cc3c(s2)CCCC3 207a_100000210026_100011794407 [0,1,0,0,0,1|2,0,0]=4 603 B21R3.152148 Cc1cccc(c1C)NCc2cc3c(s2)CCCC3 270302a_100000210026_100011794407 [0,1,0,0,0,1|2,0,0]=4 604 B21R3.152148 Cc1cccc(c1Cl)NCc2cc3c(s2)CCCC3 207a_100000765562_100011794407 [0,1,0,0,0,1|2,0,0]=4 605 B21R3.152148 Cc1cccc(c1Cl)NCc2cc3c(s2)CCCC3 270302a_100000765562_100011794407 [0,1,0,0,0,1|2,0,0]=4 606 B21R3.152148 Cc1cccc(c1F)NCc2cc3c(s2)CCCC3 207a_100000697159_100011794407 [0,1,0,0,0,1|2,0,0]=4 607 B21R3.152148 Cc1cccc(c1F)NCc2cc3c(s2)CCCC3 270302a_100000697159_100011794407 [0,1,0,0,0,1|2,0,0]=4 608 B21R3.152148 Cc1cccc(c1O)NCc2cc3c(s2)CCCC3 270302a_100000756359_100011794407 [0,1,0,0,0,1|2,0,0]=4 609 B21R3.152148 Cc1nccc(c1Cl)NCc2nc3c(s2)CCCC3 27a_100000750234_100000698670 [0,1,0,0,0,1|2,0,0]=4 610 B21R3.152148 Cc1nccc(c1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100009849794 [0,1,0,0,0,1|2,0,0]=4 611 B21R3.152148 Cc1ncnc(c1C)NCc2nc3c(s2)CCCC3 27a_100000750234_100011438038 [0,1,0,0,0,1|1,0,0]=3 612 B21R3.152148 Cc1ncnc(c1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100011671633 [0,1,0,0,0,1|1,0,0]=3 613 B21R3.152148 Nc1ncnc(c1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100000126652 [0,1,0,0,0,1|2,0,0]=4 614 B21R3.469754 Cc1ccnc(c1)CSc2nc3c(s2)CN(CC3)C 62a_100000718516_100012771885 [0,1,0,0,0,1|2,0,0]=4 615 B21R3.469754 Cc1ccnc(c1)CSc2nc3c(s2)CN(CC3)C 62a_100012771885_100000718516 [0,1,0,0,0,1|2,0,0]=4 616 B21R3.469755 Cc1ccnc(c1)CNc2nc3c(s2)C(=O)CCC3 27a_100011934573_100010177431 [0,1,0,0,0,1|2,0,0]=4 617 B21R3.469755 Cc1ccnc(c1)CSc2nc3c(s2)C(=O)CCC3 62a_100000718516_100010177431 [0,1,0,0,0,1|2,0,0]=4 618 B21R3.469755 Cc1ccnc(c1)CSc2nc3c(s2)C(=O)CCC3 62a_100010177431_100000718516 [0,1,0,0,0,1|2,0,0]=4 619 B21R3.653951 Cc1cc(ccc1Br)NCc2cc3c(s2)CCCC3 207a_100000210723_100011794407 [0,1,0,0,0,1|2,0,0]=4 620 B21R3.653951 Cc1cc(ccc1Br)NCc2cc3c(s2)CCCC3 270302a_100000210723_100011794407 [0,1,0,0,0,1|2,0,0]=4 621 B21R3.653951 Cc1cc(ccc1Cl)NCc2cc3c(s2)CCCC3 207a_100000187808_100011794407 [0,1,0,0,0,1|2,0,0]=4 622 B21R3.653951 Cc1cc(ccc1Cl)NCc2cc3c(s2)CCCC3 270302a_100000187808_100011794407 [0,1,0,0,0,1|2,0,0]=4 623 B21R3.653951 Cc1cc(ccc1F)NCc2cc3c(s2)CCCC3 207a_100000750164_100011794407 [0,1,0,0,0,1|2,0,0]=4 624 B21R3.653951 Cc1cc(ccc1F)NCc2cc3c(s2)CCCC3 270302a_100000750164_100011794407 [0,1,0,0,0,1|2,0,0]=4 625 B21R3.653951 Cc1cc(ccc1I)NCc2cc3c(s2)CCCC3 207a_100000198070_100011794407 [0,1,0,0,0,1|2,0,0]=4 626 B21R3.653951 Cc1cc(ccc1I)NCc2cc3c(s2)CCCC3 270302a_100000198070_100011794407 [0,1,0,0,0,1|2,0,0]=4 627 B21R3.653951 Cc1cc(ccc1O)NCc2cc3c(s2)CCCC3 270302a_100011218179_100011794407 [0,1,0,0,0,1|2,0,0]=4 628 B21R3.653951 Cc1ccc(cc1C)NCc2cc3c(s2)CCCC3 207a_100000724040_100011794407 [0,1,0,0,0,1|2,0,0]=4 629 B21R3.653951 Cc1ccc(cc1C)NCc2cc3c(s2)CCCC3 270302a_100000724040_100011794407 [0,1,0,0,0,1|2,0,0]=4 630 B21R3.653951 Cc1cnc(cc1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100009841206 [0,1,0,0,0,1|1,0,0]=3 631 B21R3.653951 Cc1cnc(nc1N)NCc2nc3c(s2)CCCC3 27a_100000750234_100011996698 [0,1,0,0,0,1|2,0,0]=4 632 B21R3.653951 Cc1nc(ncc1Cl)NCc2nc3c(s2)CCCC3 27a_100000750234_100010174973 [0,1,0,0,0,1|1,0,0]=3 633 B21R3.653951 Cc1nc(ncc1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100015641512 [0,1,0,0,0,1|1,0,0]=3 634 B21R3.653951 Cc1nc(ncc1N)NCc2nc3c(s2)CCCC3 27a_100000750234_100000123670 [0,1,0,0,0,1|1,0,0]=3 635 B21R3.653951 Cn1cnc(cc1=O)NCc2nc3c(s2)CCCC3 27a_100000750234_100012179353 [0,1,0,0,0,1|2,0,0]=4 636 B21R3.653951 Nc1nc(ncc1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100000185498 [0,1,0,0,0,1|2,0,0]=4 637 B21R3.653951 Oc1nc(ncc1F)NCc2nc3c(s2)CCCC3 27a_100000750234_100011995740 [0,1,0,0,0,1|2,0,0]=4 638 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3c[n+](ccn3)[O-] 27a_100011697498_100009880115 [0,1,0,0,0,1|2,0,0]=4 639 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3cc(ccn3)F 27a_100011697498_100000764206 [0,1,0,0,0,1|1,0,0]=3 640 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3cc(ncn3)F 27a_100011697498_200009880791 [0,1,0,0,0,1|2,0,0]=4 641 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3cc(ncn3)N 27a_100011697498_100000701291 [0,1,0,0,0,1|2,0,0]=4 642 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3cc(ncn3)O 27a_100011697498_100000765262 [0,1,0,0,0,1|2,0,0]=4 643 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3nccc(n3)N 27a_100011697498_100000757536 [0,1,0,0,0,1|2,0,0]=4 644 B21R3.7433480 CN(Cc1nc2c(s1)CCCC2)c3nccc(n3)O 27a_100011697498_100011649813 [0,1,0,0,0,1|2,0,0]=4 645 B21R3.7433480 Cc1cc(ccn1)N(C)Cc2nc3c(s2)CCCC3 27a_100011697498_100000758586 [0,1,0,0,0,1|2,0,0]=4 646 B21R3.7433480 Cc1cc(ncn1)N(C)Cc2nc3c(s2)CCCC3 27a_100011697498_100000744208 [0,1,0,0,0,1|1,0,0]=3 647 B21R3.7433480 Cc1ccnc(n1)N(C)Cc2nc3c(s2)CCCC3 27a_100011697498_100000750684 [0,1,0,0,0,1|1,0,0]=3 648 B21R3.7433480 Cc1cnnc(c1)N(C)Cc2nc3c(s2)CCCC3 27a_100011697498_100000070100 [0,1,0,0,0,1|1,0,0]=3 649 B21R3.7440939 CC(Nc1c[n+](ccn1)[O-])c2nc3c(s2)CCCC3 27a_100011456075_100009880115 [0,1,0,0,0,1|2,0,0]=4 650 B21R3.7440939 CC(Nc1cc(ccn1)F)c2nc3c(s2)CCCC3 27a_100011456075_100000764206 [0,1,0,0,0,1|1,0,0]=3 651 B21R3.7440939 CC(Nc1cc(ncn1)F)c2nc3c(s2)CCCC3 27a_100011456075_200009880791 [0,1,0,0,0,1|2,0,0]=4 652 B21R3.7440939 CC(Nc1cc(ncn1)N)c2nc3c(s2)CCCC3 27a_100011456075_100000701291 [0,1,0,0,0,1|2,0,0]=4 653 B21R3.7440939 CC(Nc1cc(ncn1)O)c2nc3c(s2)CCCC3 27a_100011456075_100000765262 [0,1,0,0,0,1|2,0,0]=4 654 B21R3.7440939 CC(Nc1nccc(n1)N)c2nc3c(s2)CCCC3 27a_100011456075_100000757536 [0,1,0,0,0,1|2,0,0]=4 655 B21R3.7440939 CC(Nc1nccc(n1)O)c2nc3c(s2)CCCC3 27a_100011456075_100011649813 [0,1,0,0,0,1|2,0,0]=4 656 B21R3.7440939 Cc1cc(ccn1)NC(C)c2nc3c(s2)CCCC3 27a_100011456075_100000758586 [0,1,0,0,0,1|2,0,0]=4 657 B21R3.7440939 Cc1cc(ncn1)NC(C)c2nc3c(s2)CCCC3 27a_100011456075_100000744208 [0,1,0,0,0,1|1,0,0]=3 658 B21R3.7440939 Cc1ccnc(n1)NC(C)c2nc3c(s2)CCCC3 27a_100011456075_100000750684 [0,1,0,0,0,1|1,0,0]=3 659 B21R3.7440939 Cc1cnnc(c1)NC(C)c2nc3c(s2)CCCC3 27a_100011456075_100000070100 [0,1,0,0,0,1|1,0,0]=3 660 B21R3.68059 CCc1cc(ccn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100009820011 [0,1,0,0,0,1|2,0,0]=4 661 B21R3.68059 CCc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000744278 [0,1,0,0,0,1|1,0,0]=3 662 B21R3.68059 CCc1ccnc(c1)NCCc2nc3c(s2)CCC3 27a_100011225269_100009817561 [0,1,0,0,0,1|0,0,0]=2 663 B21R3.68059 CCc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000100215 [0,1,0,0,0,1|1,0,0]=3 664 B21R3.68059 CNc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000756605 [0,1,0,0,0,1|1,0,0]=3 665 B21R3.68059 CNc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100011649947 [0,1,0,0,0,1|1,0,0]=3 666 B21R3.68059 COc1cc(ccn1)CNCc2nc3c(s2)CCC3 207a_100102525109_100000696605 [0,1,0,0,0,1|2,0,0]=4 667 B21R3.68059 COc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000049997 [0,1,0,0,0,1|1,0,0]=3 668 B21R3.68059 COc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100000174954_200011794416 [0,1,0,0,0,1|2,0,0]=4 669 B21R3.68059 COc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100000174954_200011794416 [0,1,0,0,0,1|2,0,0]=4 670 B21R3.68059 COc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000174954_100000696605 [0,1,0,0,0,1|1,0,0]=3 671 B21R3.68059 COc1cccc(c1)NN=Cc2nc3c(s2)CCC3 4a_100000722927_100000696605 [0,1,0,0,0,1|1,0,1]=4 672 B21R3.68059 COc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000182009 [0,1,0,0,0,1|1,0,0]=3 673 B21R3.68059 COc1ccnc(n1)NN=Cc2nc3c(s2)CCC3 4a_100000737241_100000696605 [0,1,0,0,0,1|1,0,1]=4 674 B21R3.68059 COc1cncc(c1)CNCc2nc3c(s2)CCC3 207a_100020589029_100000696605 [0,1,0,0,0,1|2,0,0]=4 675 B21R3.68059 COc1ncnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_200010750123 [0,1,0,0,0,1|2,0,0]=4 676 B21R3.68059 CSc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100011443430 [0,1,0,0,0,1|1,0,0]=3 677 B21R3.68059 CSc1cc(ncn1)NN=Cc2nc3c(s2)CCC3 4a_100000723099_100000696605 [0,1,0,0,0,1|1,0,1]=4 678 B21R3.68059 CSc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100011650323 [0,1,0,0,0,1|1,0,0]=3 679 B21R3.68059 N#Cc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000092509 [0,1,0,0,0,1|1,0,1]=4 680 B21R3.68059 N#Cc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100000755147_100000696605 [0,1,0,0,0,1|1,0,1]=4 681 B21R3.68059 N#Cc1ccnc(c1)NCCc2nc3c(s2)CCC3 27a_100011225269_100011291639 [0,1,0,0,0,1|0,0,1]=3 682 B21R3.68059 N#Cc1ccnc(c1)NN=Cc2nc3c(s2)CCC3 4a_100011206498_100000696605 [0,1,0,0,0,1|0,0,2]=4 683 B21R3.68059 N#Cc1ccnc(n1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000066186 [0,1,0,0,0,1|1,0,1]=4 684 B21R3.68059 NNc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000242035 [0,1,0,0,0,1|2,0,0]=4 685 B21R3.68059 OCc1cc(ccn1)CNCc2nc3c(s2)CCC3 207a_100020589248_100000696605 [0,1,0,0,0,1|2,0,0]=4 686 B21R3.68059 OCc1cc(ccn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000748867 [0,1,0,0,0,1|2,0,0]=4 687 B21R3.68059 OCc1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000731546 [0,1,0,0,0,1|1,0,0]=3 688 B21R3.68059 OCc1cccc(c1)CNCc2cc3c(s2)CCC3 207a_100011269909_200011794416 [0,1,0,0,0,1|2,0,0]=4 689 B21R3.68059 OCc1cccc(c1)CNCc2cc3c(s2)CCC3 270004a_100011269909_200011794416 [0,1,0,0,0,1|2,0,0]=4 690 B21R3.68059 OCc1cccc(c1)CNCc2nc3c(s2)CCC3 207a_100011269909_100000696605 [0,1,0,0,0,1|1,0,0]=3 691 B21R3.140367 Brc1cc(cc(c1)CNCc2nc3c(s2)CCC3)Br 207a_100015211796_100000696605 [0,1,0,0,0,1|2,0,0]=4 692 B21R3.140367 Brc1cc(cc(c1)NCCc2nc3c(s2)CCC3)Br 27a_100011225269_100009814770 [0,1,0,0,0,1|2,0,0]=4 693 B21R3.140367 Cc1cc(cc(=O)[nH]1)NCCc2nc3c(s2)CCC3 27a_100011225269_100009861981 [0,1,0,0,0,1|2,0,0]=4 694 B21R3.140367 Cc1cc(cc(c1)CNCc2cc3c(s2)CCC3)C 207a_100020591340_200011794416 [0,1,0,0,0,1|2,0,0]=4 695 B21R3.140367 Cc1cc(cc(c1)CNCc2cc3c(s2)CCC3)C 270004a_100020591340_200011794416 [0,1,0,0,0,1|2,0,0]=4 696 B21R3.140367 Cc1cc(cc(c1)CNCc2cc3c(s2)CCC3)F 207a_100011830484_200011794416 [0,1,0,0,0,1|2,0,0]=4 697 B21R3.140367 Cc1cc(cc(c1)CNCc2cc3c(s2)CCC3)F 270004a_100011830484_200011794416 [0,1,0,0,0,1|2,0,0]=4 698 B21R3.140367 Cc1cc(cc(c1)CNCc2nc3c(s2)CCC3)C 207a_100020591340_100000696605 [0,1,0,0,0,1|1,0,0]=3 699 B21R3.140367 Cc1cc(cc(c1)CNCc2nc3c(s2)CCC3)F 207a_100011830484_100000696605 [0,1,0,0,0,1|1,0,0]=3 700 B21R3.140367 Cc1cc(cc(n1)C)NCCc2nc3c(s2)CCC3 27a_100011225269_100000066820 [0,1,0,0,0,1|2,0,0]=4 701 B21R3.140367 Cc1cc(cc(n1)CNCc2cc3c(s2)CCC3)Br 270004a_100010178683_200011794416 [0,1,0,0,0,1|2,0,0]=4 702 B21R3.140367 Cc1cc(cc(n1)Cl)NCCc2nc3c(s2)CCC3 27a_100011225269_100010068023 [0,1,0,0,0,1|2,0,0]=4 703 B21R3.140367 Cc1cc(cc(n1)F)NCCc2nc3c(s2)CCC3 27a_100011225269_100010006595 [0,1,0,0,0,1|2,0,0]=4 704 B21R3.140367 Cc1cc(nc(c1)NCCc2nc3c(s2)CCC3)C 27a_100011225269_100000069240 [0,1,0,0,0,1|0,0,0]=2 705 B21R3.140367 Cc1cc(nc(c1)NCCc2nc3c(s2)CCC3)F 27a_100011225269_100009819601 [0,1,0,0,0,1|0,0,0]=2 706 B21R3.140367 Cc1cc(nc(n1)C)NCCc2nc3c(s2)CCC3 27a_100011225269_100000736142 [0,1,0,0,0,1|1,0,0]=3 707 B21R3.140367 Cc1cc(nc(n1)C)NN=Cc2nc3c(s2)CCC3 4a_100000738184_100000696605 [0,1,0,0,0,1|1,0,1]=4 708 B21R3.140367 Cc1cc(nc(n1)N)NCCc2nc3c(s2)CCC3 27a_100011225269_100000183061 [0,1,0,0,0,1|1,0,0]=3 709 B21R3.140367 Cc1cc(nc(n1)NCCc2nc3c(s2)CCC3)C 27a_100011225269_100000736147 [0,1,0,0,0,1|1,0,0]=3 710 B21R3.140367 Cc1cc(nc(n1)NCCc2nc3c(s2)CCC3)N 27a_100011225269_100000687285 [0,1,0,0,0,1|1,0,0]=3 711 B21R3.140367 Cc1cc(nc(n1)NN=Cc2nc3c(s2)CCC3)C 4a_100000182257_100000696605 [0,1,0,0,0,1|1,0,1]=4 712 B21R3.140367 Cc1nc(cc(n1)NCCc2nc3c(s2)CCC3)N 27a_100011225269_100000761517 [0,1,0,0,0,1|2,0,0]=4 713 B21R3.140367 Cc1nc(cc(n1)NCCc2nc3c(s2)CCC3)O 27a_100011225269_106741647437 [0,1,0,0,0,1|2,0,0]=4 714 B21R3.140367 Cc1nc(nc(n1)NCCc2nc3c(s2)CCC3)C 27a_100011225269_100015468570 [0,1,0,0,0,1|2,0,0]=4 715 B21R3.140367 Cc1nc(nc(n1)NCCc2nc3c(s2)CCC3)N 27a_100011225269_200012022553 [0,1,0,0,0,1|2,0,0]=4 716 B21R3.140367 Clc1cc(cc(c1)CNCc2nc3c(s2)CCC3)Cl 207a_100011211636_100000696605 [0,1,0,0,0,1|2,0,0]=4 717 B21R3.140367 Fc1cc(cc(c1)CNCc2nc3c(s2)CCC3)Br 207a_100020611034_100000696605 [0,1,0,0,0,1|2,0,0]=4 718 B21R3.140367 Fc1cc(cc(c1)CNCc2nc3c(s2)CCC3)Cl 207a_100137329012_100000696605 [0,1,0,0,0,1|2,0,0]=4 719 B21R3.140367 Fc1cc(cc(c1)CNCc2nc3c(s2)CCC3)F 207a_100000737602_100000696605 [0,1,0,0,0,1|2,0,0]=4 720 B21R3.140367 Nc1cc(=O)nc([nH]1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000101444 [0,1,0,0,0,1|2,0,0]=4 721 B21R3.140367 Nc1nc(cc(n1)NCCc2nc3c(s2)CCC3)O 27a_100011225269_100000694715 [0,1,0,0,0,1|2,0,0]=4 722 B21R3.152702 Cc1c(cccc1CNCc2nc3c(s2)CCC3)Br 207a_100000724210_100000696605 [0,1,0,0,0,1|2,0,0]=4 723 B21R3.152702 Cc1c(cccc1CNCc2nc3c(s2)CCC3)Cl 207a_100020639605_100000696605 [0,1,0,0,0,1|2,0,0]=4 724 B21R3.152702 Cc1c(cccc1CNCc2nc3c(s2)CCC3)F 207a_100132306986_100000696605 [0,1,0,0,0,1|2,0,0]=4 725 B21R3.152702 Cc1c(ccnc1NCCc2nc3c(s2)CCC3)F 27a_100011225269_100009846374 [0,1,0,0,0,1|1,0,0]=3 726 B21R3.152702 Cc1c(ncnc1NCCc2nc3c(s2)CCC3)N 27a_100011225269_100011913465 [0,1,0,0,0,1|2,0,0]=4 727 B21R3.152702 Cc1c(ncnc1NCCc2nc3c(s2)CCC3)O 27a_100011225269_100011912821 [0,1,0,0,0,1|2,0,0]=4 728 B21R3.152702 Cc1cccc(c1C)CNCc2cc3c(s2)CCC3 207a_100011211637_200011794416 [0,1,0,0,0,1|2,0,0]=4 729 B21R3.152702 Cc1cccc(c1C)CNCc2cc3c(s2)CCC3 270004a_100011211637_200011794416 [0,1,0,0,0,1|2,0,0]=4 730 B21R3.152702 Cc1cccc(c1C)CNCc2nc3c(s2)CCC3 207a_100011211637_100000696605 [0,1,0,0,0,1|1,0,0]=3 731 B21R3.152702 Cc1cccc(c1C)NN=Cc2nc3c(s2)CCC3 4a_100020604495_100000696605 [0,1,0,0,0,1|1,0,1]=4 732 B21R3.152702 Cc1cccc(c1Cl)CNCc2cc3c(s2)CCC3 207a_100025705714_200011794416 [0,1,0,0,0,1|2,0,0]=4 733 B21R3.152702 Cc1cccc(c1Cl)CNCc2cc3c(s2)CCC3 270004a_100025705714_200011794416 [0,1,0,0,0,1|2,0,0]=4 734 B21R3.152702 Cc1cccc(c1Cl)CNCc2nc3c(s2)CCC3 207a_100025705714_100000696605 [0,1,0,0,0,1|1,0,0]=3 735 B21R3.152702 Cc1cccc(c1F)CNCc2cc3c(s2)CCC3 207a_100012002060_200011794416 [0,1,0,0,0,1|2,0,0]=4 736 B21R3.152702 Cc1cccc(c1F)CNCc2cc3c(s2)CCC3 270004a_100012002060_200011794416 [0,1,0,0,0,1|2,0,0]=4 737 B21R3.152702 Cc1cccc(c1F)CNCc2nc3c(s2)CCC3 207a_100012002060_100000696605 [0,1,0,0,0,1|1,0,0]=3 738 B21R3.152702 Cc1nccc(c1Cl)NCCc2nc3c(s2)CCC3 27a_100011225269_100000698670 [0,1,0,0,0,1|2,0,0]=4 739 B21R3.152702 Cc1nccc(c1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100009849794 [0,1,0,0,0,1|2,0,0]=4 740 B21R3.152702 Cc1ncnc(c1C)NCCc2nc3c(s2)CCC3 27a_100011225269_100011438038 [0,1,0,0,0,1|1,0,0]=3 741 B21R3.152702 Cc1ncnc(c1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100011671633 [0,1,0,0,0,1|1,0,0]=3 742 B21R3.152702 Clc1cccc(c1Cl)CNCc2nc3c(s2)CCC3 207a_100011211633_100000696605 [0,1,0,0,0,1|2,0,0]=4 743 B21R3.152702 Fc1c(cccc1CNCc2nc3c(s2)CCC3)Br 207a_100015189953_100000696605 [0,1,0,0,0,1|2,0,0]=4 744 B21R3.152702 Fc1c(cccc1CNCc2nc3c(s2)CCC3)Cl 207a_100000764326_100000696605 [0,1,0,0,0,1|2,0,0]=4 745 B21R3.152702 Fc1cccc(c1Br)CNCc2nc3c(s2)CCC3 207a_100020638964_100000696605 [0,1,0,0,0,1|2,0,0]=4 746 B21R3.152702 Fc1cccc(c1Cl)CNCc2nc3c(s2)CCC3 207a_100012001614_100000696605 [0,1,0,0,0,1|2,0,0]=4 747 B21R3.152702 Fc1cccc(c1F)CNCc2nc3c(s2)CCC3 207a_100011199105_100000696605 [0,1,0,0,0,1|2,0,0]=4 748 B21R3.152702 Nc1ncnc(c1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100000126652 [0,1,0,0,0,1|2,0,0]=4 749 B21R3.476587 Brc1ccc(c(c1)CNCc2nc3c(s2)CCC3)Br 207a_100000707832_100000696605 [0,1,0,0,0,1|2,0,0]=4 750 B21R3.476587 Cc1cc(c(cn1)F)NCCc2nc3c(s2)CCC3 27a_100011225269_100009867690 [0,1,0,0,0,1|2,0,0]=4 751 B21R3.476587 Cc1ccc(c(c1)CNCc2cc3c(s2)CCC3)C 207a_100000174964_200011794416 [0,1,0,0,0,1|2,0,0]=4 752 B21R3.476587 Cc1ccc(c(c1)CNCc2cc3c(s2)CCC3)C 270004a_100000174964_200011794416 [0,1,0,0,0,1|2,0,0]=4 753 B21R3.476587 Cc1ccc(c(c1)CNCc2cc3c(s2)CCC3)Cl 207a_100025705715_200011794416 [0,1,0,0,0,1|2,0,0]=4 754 B21R3.476587 Cc1ccc(c(c1)CNCc2cc3c(s2)CCC3)Cl 270004a_100025705715_200011794416 [0,1,0,0,0,1|2,0,0]=4 755 B21R3.476587 Cc1ccc(c(c1)CNCc2cc3c(s2)CCC3)F 207a_100102693586_200011794416 [0,1,0,0,0,1|2,0,0]=4 756 B21R3.476587 Cc1ccc(c(c1)CNCc2cc3c(s2)CCC3)F 270004a_100102693586_200011794416 [0,1,0,0,0,1|2,0,0]=4 757 B21R3.476587 Cc1ccc(c(c1)CNCc2nc3c(s2)CCC3)C 207a_100000174964_100000696605 [0,1,0,0,0,1|1,0,0]=3 758 B21R3.476587 Cc1ccc(c(c1)CNCc2nc3c(s2)CCC3)Cl 207a_100025705715_100000696605 [0,1,0,0,0,1|1,0,0]=3 759 B21R3.476587 Cc1ccc(c(c1)CNCc2nc3c(s2)CCC3)F 207a_100102693586_100000696605 [0,1,0,0,0,1|1,0,0]=3 760 B21R3.476587 Cc1ccc(c(c1)NN=Cc2nc3c(s2)CCC3)C 4a_100000683361_100000696605 [0,1,0,0,0,1|1,0,1]=4 761 B21R3.476587 Cc1ccc(c(c1)NN=Cc2nc3c(s2)CCC3)Cl 4a_200020642191_100000696605 [0,1,0,0,0,1|1,0,1]=4 762 B21R3.476587 Cc1ccc(c(c1)NN=Cc2nc3c(s2)CCC3)F 4a_100011248256_100000696605 [0,1,0,0,0,1|1,0,1]=4 763 B21R3.476587 Cc1ccc(cc1CNCc2nc3c(s2)CCC3)Cl 207a_100000717755_100000696605 [0,1,0,0,0,1|2,0,0]=4 764 B21R3.476587 Cc1ccc(cc1CNCc2nc3c(s2)CCC3)F 207a_100011217291_100000696605 [0,1,0,0,0,1|2,0,0]=4 765 B21R3.476587 Cc1cnc(c(c1)NCCc2nc3c(s2)CCC3)F 27a_100011225269_100009820679 [0,1,0,0,0,1|2,0,0]=4 766 B21R3.476587 Clc1ccc(c(c1)CNCc2nc3c(s2)CCC3)Cl 207a_100102946428_100000696605 [0,1,0,0,0,1|2,0,0]=4 767 B21R3.476587 Clc1ccc(cc1CNCc2nc3c(s2)CCC3)Br 207a_100025772652_100000696605 [0,1,0,0,0,1|2,0,0]=4 768 B21R3.476587 Fc1ccc(c(c1)CNCc2nc3c(s2)CCC3)Br 207a_100000742738_100000696605 [0,1,0,0,0,1|2,0,0]=4 769 B21R3.476587 Fc1ccc(c(c1)CNCc2nc3c(s2)CCC3)Cl 207a_100011830483_100000696605 [0,1,0,0,0,1|2,0,0]=4 770 B21R3.476587 Fc1ccc(c(c1)CNCc2nc3c(s2)CCC3)F 207a_100000752317_100000696605 [0,1,0,0,0,1|2,0,0]=4 771 B21R3.476587 Fc1ccc(cc1CNCc2nc3c(s2)CCC3)Br 207a_100009815772_100000696605 [0,1,0,0,0,1|2,0,0]=4 772 B21R3.476587 Fc1ccc(cc1CNCc2nc3c(s2)CCC3)Cl 207a_100011211646_100000696605 [0,1,0,0,0,1|2,0,0]=4 773 B21R3.654398 Brc1ccc(cc1Br)CNCc2nc3c(s2)CCC3 207a_100012351559_100000696605 [0,1,0,0,0,1|2,0,0]=4 774 B21R3.654398 Cc1cc(ccc1Br)CNCc2cc3c(s2)CCC3 207a_100015205234_200011794416 [0,1,0,0,0,1|2,0,0]=4 775 B21R3.654398 Cc1cc(ccc1Br)CNCc2cc3c(s2)CCC3 270004a_100015205234_200011794416 [0,1,0,0,0,1|2,0,0]=4 776 B21R3.654398 Cc1cc(ccc1Br)CNCc2nc3c(s2)CCC3 207a_100015205234_100000696605 [0,1,0,0,0,1|1,0,0]=3 777 B21R3.654398 Cc1cc(ccc1Br)NN=Cc2nc3c(s2)CCC3 4a_100000745493_100000696605 [0,1,0,0,0,1|1,0,1]=4 778 B21R3.654398 Cc1cc(ccc1Cl)NN=Cc2nc3c(s2)CCC3 4a_100015233126_100000696605 [0,1,0,0,0,1|1,0,1]=4 779 B21R3.654398 Cc1cc(ccc1F)CNCc2cc3c(s2)CCC3 207a_100000239911_200011794416 [0,1,0,0,0,1|2,0,0]=4 780 B21R3.654398 Cc1cc(ccc1F)CNCc2cc3c(s2)CCC3 270004a_100000239911_200011794416 [0,1,0,0,0,1|2,0,0]=4 781 B21R3.654398 Cc1cc(ccc1F)CNCc2nc3c(s2)CCC3 207a_100000239911_100000696605 [0,1,0,0,0,1|1,0,0]=3 782 B21R3.654398 Cc1cc(ncc1Br)NN=Cc2cc3c(s2)CCC3 4a_100012357568_200011794416 [0,1,0,0,0,1|1,0,1]=4 783 B21R3.654398 Cc1cc(ncc1Br)NN=Cc2nc3c(s2)CCC3 4a_100012357568_100000696605 [0,1,0,0,0,1|0,0,1]=3 784 B21R3.654398 Cc1ccc(cc1C)CNCc2cc3c(s2)CCC3 207a_100025706692_200011794416 [0,1,0,0,0,1|2,0,0]=4 785 B21R3.654398 Cc1ccc(cc1C)CNCc2cc3c(s2)CCC3 270004a_100025706692_200011794416 [0,1,0,0,0,1|2,0,0]=4 786 B21R3.654398 Cc1ccc(cc1C)CNCc2nc3c(s2)CCC3 207a_100025706692_100000696605 [0,1,0,0,0,1|1,0,0]=3 787 B21R3.654398 Cc1ccc(cc1C)NN=Cc2nc3c(s2)CCC3 4a_100000004666_100000696605 [0,1,0,0,0,1|1,0,1]=4 788 B21R3.654398 Cc1ccc(cc1Cl)CNCc2nc3c(s2)CCC3 207a_102495364989_100000696605 [0,1,0,0,0,1|2,0,0]=4 789 B21R3.654398 Cc1ccc(cc1F)CNCc2nc3c(s2)CCC3 207a_100102708794_100000696605 [0,1,0,0,0,1|2,0,0]=4 790 B21R3.654398 Cc1cnc(cc1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100009841206 [0,1,0,0,0,1|1,0,0]=3 791 B21R3.654398 Cc1cnc(nc1N)NCCc2nc3c(s2)CCC3 27a_100011225269_100011996698 [0,1,0,0,0,1|2,0,0]=4 792 B21R3.654398 Cc1nc(ncc1Cl)NCCc2nc3c(s2)CCC3 27a_100011225269_100010174973 [0,1,0,0,0,1|1,0,0]=3 793 B21R3.654398 Cc1nc(ncc1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100015641512 [0,1,0,0,0,1|1,0,0]=3 794 B21R3.654398 Cc1nc(ncc1N)NCCc2nc3c(s2)CCC3 27a_100011225269_100000123670 [0,1,0,0,0,1|1,0,0]=3 795 B21R3.654398 Clc1cc(ccc1Br)CNCc2nc3c(s2)CCC3 207a_100012362553_100000696605 [0,1,0,0,0,1|2,0,0]=4 796 B21R3.654398 Clc1ccc(cc1Br)CNCc2nc3c(s2)CCC3 207a_100012349490_100000696605 [0,1,0,0,0,1|2,0,0]=4 797 B21R3.654398 Clc1ccc(cc1Cl)CNCc2nc3c(s2)CCC3 207a_100000174881_100000696605 [0,1,0,0,0,1|2,0,0]=4 798 B21R3.654398 Cn1cnc(cc1=O)NCCc2nc3c(s2)CCC3 27a_100011225269_100012179353 [0,1,0,0,0,1|2,0,0]=4 799 B21R3.654398 Fc1cc(ccc1Br)CNCc2nc3c(s2)CCC3 207a_100000755036_100000696605 [0,1,0,0,0,1|2,0,0]=4 800 B21R3.654398 Fc1cc(ccc1Cl)CNCc2nc3c(s2)CCC3 207a_100011219866_100000696605 [0,1,0,0,0,1|2,0,0]=4 801 B21R3.654398 Fc1ccc(cc1Br)CNCc2nc3c(s2)CCC3 207a_100015193890_100000696605 [0,1,0,0,0,1|2,0,0]=4 802 B21R3.654398 Fc1ccc(cc1Cl)CNCc2nc3c(s2)CCC3 207a_100000749334_100000696605 [0,1,0,0,0,1|2,0,0]=4 803 B21R3.654398 Fc1ccc(cc1F)CNCc2nc3c(s2)CCC3 207a_100000737897_100000696605 [0,1,0,0,0,1|2,0,0]=4 804 B21R3.654398 Nc1nc(ncc1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100000185498 [0,1,0,0,0,1|2,0,0]=4 805 B21R3.654398 Oc1cc(ccc1F)CNCc2nc3c(s2)CCC3 207a_100160469508_100000696605 [0,1,0,0,0,1|2,0,0]=4 806 B21R3.654398 Oc1nc(ncc1F)NCCc2nc3c(s2)CCC3 27a_100011225269_100011995740 [0,1,0,0,0,1|2,0,0]=4 807 B21R3.3826223 CN(Cc1cc(ccn1)Cl)Cc2cc3c(s2)CCC3 270004a_100102954512_200011794416 [0,1,0,0,0,1|2,0,0]=4 808 B21R3.3826223 Cc1cccc(c1)CN(C)Cc2cc3c(s2)CCC3 270004a_102495364743_200011794416 [0,1,0,0,0,1|2,0,0]=4 809 B21R3.3826223 Cc1ccnc(c1)CN(C)Cc2cc3c(s2)CCC3 270004a_106354213154_200011794416 [0,1,0,0,0,1|1,0,0]=3 810 B21R3.3829370 CC(NCc1nc2c(s1)CCC2)c3cccc(c3)Br 207a_100020642005_100000696605 [0,1,0,0,0,1|2,0,0]=4 811 B21R3.3829370 CC(NCc1nc2c(s1)CCC2)c3cccc(c3)Cl 207a_100102723534_100000696605 [0,1,0,0,0,1|2,0,0]=4 812 B21R3.3829370 CC(NCc1nc2c(s1)CCC2)c3cccc(c3)O 207a_100000740644_100000696605 [0,1,0,0,0,1|2,0,0]=4 813 B21R3.3829370 C[C@@H](NCc1nc2c(s1)CCC2)c3cccc(c3)F 207a_100015193778_100000696605 [0,1,0,0,0,1|2,0,0]=4 814 B21R3.3829370 Cc1cccc(c1)[C@@H](C)NCc2cc3c(s2)CCC3 207a_100000698126_200011794416 [0,1,0,0,0,1|2,0,0]=4 815 B21R3.3829370 Cc1cccc(c1)[C@@H](C)NCc2cc3c(s2)CCC3 270004a_100000698126_200011794416 [0,1,0,0,0,1|2,0,0]=4 816 B21R3.3829370 Cc1cccc(c1)[C@@H](C)NCc2nc3c(s2)CCC3 207a_100000698126_100000696605 [0,1,0,0,0,1|1,0,0]=3 817 B21R3.3829370 Cc1cccc(n1)C(C)NCc2nc3c(s2)CCC3 207a_100011877385_100000696605 [0,1,0,0,0,1|2,0,0]=4 818 B21R3.3829370 Cc1ccnc(c1)C(C)NCc2cc3c(s2)CCC3 207a_100011933787_200011794416 [0,1,0,0,0,1|1,0,0]=3 819 B21R3.3829370 Cc1ccnc(c1)C(C)NCc2cc3c(s2)CCC3 270004a_100011933787_200011794416 [0,1,0,0,0,1|1,0,0]=3 820 B21R3.3829370 Cc1ccnc(c1)C(C)NCc2nc3c(s2)CCC3 207a_100011933787_100000696605 [0,1,0,0,0,1|0,0,0]=2 821 B21R3.22919 CCc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 207a_100010074814_200011794416 [0,2,0,0,0,0|2,0,0]=4 822 B21R3.22919 CCc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 270302a_100010074814_200011794416 [0,2,0,0,0,0|2,0,0]=4 823 B21R3.22919 CCc1cc(cc(c1)NCc2cc3c(s2)CCC3)C 207a_100012022893_200011794416 [0,2,0,0,0,0|2,0,0]=4 824 B21R3.22919 CCc1cc(cc(c1)NCc2cc3c(s2)CCC3)C 270302a_100012022893_200011794416 [0,2,0,0,0,0|2,0,0]=4 825 B21R3.22919 CCc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100010074814_100000696605 [0,2,0,0,0,0|1,0,0]=3 826 B21R3.22919 CCc1cc(cc(c1)NCc2nc3c(s2)CCC3)C 207a_100012022893_100000696605 [0,2,0,0,0,0|1,0,0]=3 827 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 207a_100000750983_200011794416 [0,2,0,0,0,0|2,0,0]=4 828 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)Br 270302a_100000750983_200011794416 [0,2,0,0,0,0|2,0,0]=4 829 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)C 207a_100012001870_200011794416 [0,2,0,0,0,0|2,0,0]=4 830 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)C 270302a_100012001870_200011794416 [0,2,0,0,0,0|2,0,0]=4 831 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 207a_100000051436_200011794416 [0,2,0,0,0,0|2,0,0]=4 832 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100000051436_200011794416 [0,2,0,0,0,0|2,0,0]=4 833 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)F 207a_100000687699_200011794416 [0,2,0,0,0,0|2,0,0]=4 834 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)F 270302a_100000687699_200011794416 [0,2,0,0,0,0|2,0,0]=4 835 B21R3.22919 COc1cc(cc(c1)NCc2cc3c(s2)CCC3)O 270302a_200000692186_200011794416 [0,2,0,0,0,0|2,0,0]=4 836 B21R3.22919 COc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100000750983_100000696605 [0,2,0,0,0,0|1,0,0]=3 837 B21R3.22919 COc1cc(cc(c1)NCc2nc3c(s2)CCC3)C 207a_100012001870_100000696605 [0,2,0,0,0,0|1,0,0]=3 838 B21R3.22919 COc1cc(cc(c1)NCc2nc3c(s2)CCC3)Cl 207a_100000051436_100000696605 [0,2,0,0,0,0|1,0,0]=3 839 B21R3.22919 COc1cc(cc(c1)NCc2nc3c(s2)CCC3)F 207a_100000687699_100000696605 [0,2,0,0,0,0|1,0,0]=3 840 B21R3.22919 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)C#N 207a_100012017395_200011794416 [0,2,0,0,0,0|2,0,0]=4 841 B21R3.22919 Cc1cc(cc(c1)NCc2cc3c(s2)CCC3)C#N 270302a_100012017395_200011794416 [0,2,0,0,0,0|2,0,0]=4 842 B21R3.22919 Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)C#N 207a_100012017395_100000696605 [0,2,0,0,0,0|1,0,0]=3 843 B21R3.22919 N#Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)Br 207a_100012002331_100000696605 [0,2,0,0,0,0|1,0,1]=4 844 B21R3.22919 N#Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)Cl 207a_100000068067_100000696605 [0,2,0,0,0,0|1,0,1]=4 845 B21R3.22919 N#Cc1cc(cc(c1)NCc2nc3c(s2)CCC3)F 207a_100011362962_100000696605 [0,2,0,0,0,0|1,0,1]=4 846 B21R3.22919 OCc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 207a_100012002482_200011794416 [0,2,0,0,0,0|2,0,0]=4 847 B21R3.22919 OCc1cc(cc(c1)NCc2cc3c(s2)CCC3)Cl 270302a_100012002482_200011794416 [0,2,0,0,0,0|2,0,0]=4 848 B21R3.22919 OCc1cc(cc(c1)NCc2cc3c(s2)CCC3)O 270302a_200000124675_200011794416 [0,2,0,0,0,0|2,0,0]=4 849 B21R3.22919 OCc1cc(cc(c1)NCc2nc3c(s2)CCC3)Cl 207a_100012002482_100000696605 [0,2,0,0,0,0|1,0,0]=3 850 B21R3.68628 COc1cccc(c1C)NCc2cc3c(s2)CCC3 207a_100011244893_200011794416 [0,2,0,0,0,0|2,0,0]=4 851 B21R3.68628 COc1cccc(c1C)NCc2cc3c(s2)CCC3 270302a_100011244893_200011794416 [0,2,0,0,0,0|2,0,0]=4 852 B21R3.68628 COc1cccc(c1C)NCc2nc3c(s2)CCC3 207a_100011244893_100000696605 [0,2,0,0,0,0|1,0,0]=3 853 B21R3.68628 COc1cccc(c1Cl)NCc2cc3c(s2)CCC3 207a_100000089720_200011794416 [0,2,0,0,0,0|2,0,0]=4 854 B21R3.68628 COc1cccc(c1Cl)NCc2cc3c(s2)CCC3 270302a_100000089720_200011794416 [0,2,0,0,0,0|2,0,0]=4 855 B21R3.68628 COc1cccc(c1Cl)NCc2nc3c(s2)CCC3 207a_100000089720_100000696605 [0,2,0,0,0,0|1,0,0]=3 856 B21R3.68628 COc1cccc(c1F)NCc2cc3c(s2)CCC3 207a_100000100910_200011794416 [0,2,0,0,0,0|2,0,0]=4 857 B21R3.68628 COc1cccc(c1F)NCc2cc3c(s2)CCC3 270302a_100000100910_200011794416 [0,2,0,0,0,0|2,0,0]=4 858 B21R3.68628 COc1cccc(c1F)NCc2nc3c(s2)CCC3 207a_100000100910_100000696605 [0,2,0,0,0,0|1,0,0]=3 859 B21R3.68628 Cc1c(cccc1NCc2cc3c(s2)CCC3)CO 207a_102495339961_200011794416 [0,2,0,0,0,0|2,0,0]=4 860 B21R3.68628 Cc1c(cccc1NCc2cc3c(s2)CCC3)CO 270302a_102495339961_200011794416 [0,2,0,0,0,0|2,0,0]=4 861 B21R3.68628 Cc1c(cccc1NCc2nc3c(s2)CCC3)CO 207a_102495339961_100000696605 [0,2,0,0,0,0|1,0,0]=3 862 B21R3.68628 N#Cc1cccc(c1F)NCc2nc3c(s2)CCC3 207a_100000087142_100000696605 [0,2,0,0,0,0|1,0,1]=4 863 B21R3.68628 OCc1cccc(c1F)NCc2cc3c(s2)CCC3 207a_100012023829_200011794416 [0,2,0,0,0,0|2,0,0]=4 864 B21R3.68628 OCc1cccc(c1F)NCc2cc3c(s2)CCC3 270302a_100012023829_200011794416 [0,2,0,0,0,0|2,0,0]=4 865 B21R3.68628 OCc1cccc(c1F)NCc2nc3c(s2)CCC3 207a_100012023829_100000696605 [0,2,0,0,0,0|1,0,0]=3 866 B21R3.513221 CC(C)c1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000211879_200011794416 [0,2,0,0,0,0|2,0,0]=4 867 B21R3.513221 CC(C)c1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000211879_200011794416 [0,2,0,0,0,0|2,0,0]=4 868 B21R3.513221 CC(C)c1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000211879_100000696605 [0,2,0,0,0,0|1,0,0]=3 869 B21R3.513221 CC(O)c1cccc(c1)NCc2cc3c(s2)CCC3 207a_100011217120_200011794416 [0,2,0,0,0,0|2,0,0]=4 870 B21R3.513221 CC(O)c1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100011217120_200011794416 [0,2,0,0,0,0|2,0,0]=4 871 B21R3.513221 CC(O)c1cccc(c1)NCc2nc3c(s2)CCC3 207a_100011217120_100000696605 [0,2,0,0,0,0|1,0,0]=3 872 B21R3.513221 CN(C)c1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000209982_200011794416 [0,2,0,0,0,0|2,0,0]=4 873 B21R3.513221 CN(C)c1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000209982_200011794416 [0,2,0,0,0,0|2,0,0]=4 874 B21R3.513221 CN(C)c1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000209982_100000696605 [0,2,0,0,0,0|1,0,0]=3 875 B21R3.513221 FC(F)c1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000058342_200011794416 [0,2,0,0,0,0|2,0,0]=4 876 B21R3.513221 FC(F)c1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000058342_200011794416 [0,2,0,0,0,0|2,0,0]=4 877 B21R3.513221 FC(F)c1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000058342_100000696605 [0,2,0,0,0,0|1,0,0]=3 878 B21R3.513221 NC(=O)c1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000217337_100000696605 [0,2,0,0,0,0|1,0,1]=4 879 B21R3.513221 NC(=S)c1cccc(c1)NCc2nc3c(s2)CCC3 207a_200011830438_100000696605 [0,2,0,0,0,0|1,0,1]=4 880 B21R3.529586 CCOc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000742568_200011794416 [0,2,0,0,0,0|2,0,0]=4 881 B21R3.529586 CCOc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000742568_200011794416 [0,2,0,0,0,0|2,0,0]=4 882 B21R3.529586 CCOc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000742568_100000696605 [0,2,0,0,0,0|1,0,0]=3 883 B21R3.529586 COCc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100000737370_200011794416 [0,2,0,0,0,0|2,0,0]=4 884 B21R3.529586 COCc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000737370_200011794416 [0,2,0,0,0,0|2,0,0]=4 885 B21R3.529586 COCc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100000737370_100000696605 [0,2,0,0,0,0|1,0,0]=3 886 B21R3.529586 N#CCc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100000017804_200011794416 [0,2,0,0,0,0|2,0,0]=4 887 B21R3.529586 OCCc1cccc(c1)NCc2cc3c(s2)CCC3 207a_100011996697_200011794416 [0,2,0,0,0,0|2,0,0]=4 888 B21R3.529586 OCCc1cccc(c1)NCc2cc3c(s2)CCC3 270302a_100011996697_200011794416 [0,2,0,0,0,0|2,0,0]=4 889 B21R3.529586 OCCc1cccc(c1)NCc2nc3c(s2)CCC3 207a_100011996697_100000696605 [0,2,0,0,0,0|1,0,0]=3 890 B21R3.858243 C#Cc1ccc(c(c1)NCc2nc3c(s2)CCC3)C 207a_100012022948_100000696605 [0,2,0,0,0,0|1,0,1]=4 891 B21R3.858243 CCc1ccc(c(c1)NCc2cc3c(s2)CCC3)C 207a_200012022522_200011794416 [0,2,0,0,0,0|2,0,0]=4 892 B21R3.858243 CCc1ccc(c(c1)NCc2cc3c(s2)CCC3)C 270302a_200012022522_200011794416 [0,2,0,0,0,0|2,0,0]=4 893 B21R3.858243 CCc1ccc(c(c1)NCc2nc3c(s2)CCC3)C 207a_200012022522_100000696605 [0,2,0,0,0,0|1,0,0]=3 894 B21R3.858243 COc1ccc(c(c1)NCc2cc3c(s2)CCC3)C 207a_100000760359_200011794416 [0,2,0,0,0,0|2,0,0]=4 895 B21R3.858243 COc1ccc(c(c1)NCc2cc3c(s2)CCC3)C 270302a_100000760359_200011794416 [0,2,0,0,0,0|2,0,0]=4 896 B21R3.858243 COc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 207a_100000745576_200011794416 [0,2,0,0,0,0|2,0,0]=4 897 B21R3.858243 COc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 207a_100000764331_200011794416 [0,2,0,0,0,0|2,0,0]=4 898 B21R3.858243 COc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 270302a_100000764331_200011794416 [0,2,0,0,0,0|2,0,0]=4 899 B21R3.858243 COc1ccc(c(c1)NCc2nc3c(s2)CCC3)C 207a_100000760359_100000696605 [0,2,0,0,0,0|1,0,0]=3 900 B21R3.858243 COc1ccc(c(c1)NCc2nc3c(s2)CCC3)Cl 207a_100000745576_100000696605 [0,2,0,0,0,0|1,0,0]=3 901 B21R3.858243 COc1ccc(c(c1)NCc2nc3c(s2)CCC3)F 207a_100000764331_100000696605 [0,2,0,0,0,0|1,0,0]=3 902 B21R3.858243 Cc1ccc(cc1NCc2cc3c(s2)CCC3)CO 207a_100000758420_200011794416 [0,2,0,0,0,0|2,0,0]=4 903 B21R3.858243 Cc1ccc(cc1NCc2cc3c(s2)CCC3)CO 270302a_100000758420_200011794416 [0,2,0,0,0,0|2,0,0]=4 904 B21R3.858243 Cc1ccc(cc1NCc2nc3c(s2)CCC3)C#N 207a_100000748024_100000696605 [0,2,0,0,0,0|1,0,1]=4 905 B21R3.858243 Cc1ccc(cc1NCc2nc3c(s2)CCC3)CO 207a_100000758420_100000696605 [0,2,0,0,0,0|1,0,0]=3 906 B21R3.858243 N#Cc1ccc(c(c1)NCc2nc3c(s2)CCC3)F 207a_100011934650_100000696605 [0,2,0,0,0,0|1,0,1]=4 907 B21R3.858243 OCc1ccc(c(c1)NCc2cc3c(s2)CCC3)Br 270302a_100012347568_200011794416 [0,2,0,0,0,0|2,0,0]=4 908 B21R3.858243 OCc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 207a_106256033963_200011794416 [0,2,0,0,0,0|2,0,0]=4 909 B21R3.858243 OCc1ccc(c(c1)NCc2cc3c(s2)CCC3)Cl 270302a_106256033963_200011794416 [0,2,0,0,0,0|2,0,0]=4 910 B21R3.858243 OCc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 207a_102125399562_200011794416 [0,2,0,0,0,0|2,0,0]=4 911 B21R3.858243 OCc1ccc(c(c1)NCc2cc3c(s2)CCC3)F 270302a_102125399562_200011794416 [0,2,0,0,0,0|2,0,0]=4 912 B21R3.858243 OCc1ccc(c(c1)NCc2cc3c(s2)CCC3)O 270302a_100000123545_200011794416 [0,2,0,0,0,0|2,0,0]=4 913 B21R3.858243 OCc1ccc(c(c1)NCc2nc3c(s2)CCC3)Cl 207a_106256033963_100000696605 [0,2,0,0,0,0|1,0,0]=3 914 B21R3.858243 OCc1ccc(c(c1)NCc2nc3c(s2)CCC3)F 207a_102125399562_100000696605 [0,2,0,0,0,0|1,0,0]=3 915 B21R3.2629794 C#Cc1cc(ccc1C)NCc2nc3c(s2)CCC3 207a_200012017271_100000696605 [0,2,0,0,0,0|1,0,1]=4 916 B21R3.2629794 CCc1cc(ccc1Br)NCc2cc3c(s2)CCC3 207a_100010109747_200011794416 [0,2,0,0,0,0|2,0,0]=4 917 B21R3.2629794 CCc1cc(ccc1Br)NCc2cc3c(s2)CCC3 270302a_100010109747_200011794416 [0,2,0,0,0,0|2,0,0]=4 918 B21R3.2629794 CCc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100010109747_100000696605 [0,2,0,0,0,0|1,0,0]=3 919 B21R3.2629794 COc1cc(ccc1Br)NCc2cc3c(s2)CCC3 207a_100000765947_200011794416 [0,2,0,0,0,0|2,0,0]=4 920 B21R3.2629794 COc1cc(ccc1Br)NCc2cc3c(s2)CCC3 270302a_100000765947_200011794416 [0,2,0,0,0,0|2,0,0]=4 921 B21R3.2629794 COc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100000765947_100000696605 [0,2,0,0,0,0|1,0,0]=3 922 B21R3.2629794 COc1cc(ccc1C)NCc2cc3c(s2)CCC3 207a_100011279678_200011794416 [0,2,0,0,0,0|2,0,0]=4 923 B21R3.2629794 COc1cc(ccc1C)NCc2cc3c(s2)CCC3 270302a_100011279678_200011794416 [0,2,0,0,0,0|2,0,0]=4 924 B21R3.2629794 COc1cc(ccc1C)NCc2nc3c(s2)CCC3 207a_100011279678_100000696605 [0,2,0,0,0,0|1,0,0]=3 925 B21R3.2629794 COc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 207a_100000742311_200011794416 [0,2,0,0,0,0|2,0,0]=4 926 B21R3.2629794 COc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 270302a_100000742311_200011794416 [0,2,0,0,0,0|2,0,0]=4 927 B21R3.2629794 COc1cc(ccc1Cl)NCc2nc3c(s2)CCC3 207a_100000742311_100000696605 [0,2,0,0,0,0|1,0,0]=3 928 B21R3.2629794 COc1cc(ccc1F)NCc2cc3c(s2)CCC3 207a_100000701188_200011794416 [0,2,0,0,0,0|2,0,0]=4 929 B21R3.2629794 COc1cc(ccc1F)NCc2cc3c(s2)CCC3 270302a_100000701188_200011794416 [0,2,0,0,0,0|2,0,0]=4 930 B21R3.2629794 COc1cc(ccc1F)NCc2nc3c(s2)CCC3 207a_100000701188_100000696605 [0,2,0,0,0,0|1,0,0]=3 931 B21R3.2629794 COc1cc(ccc1I)NCc2cc3c(s2)CCC3 207a_100000746945_200011794416 [0,2,0,0,0,0|2,0,0]=4 932 B21R3.2629794 COc1cc(ccc1I)NCc2cc3c(s2)CCC3 270302a_100000746945_200011794416 [0,2,0,0,0,0|2,0,0]=4 933 B21R3.2629794 COc1cc(ccc1I)NCc2nc3c(s2)CCC3 207a_100000746945_100000696605 [0,2,0,0,0,0|1,0,0]=3 934 B21R3.2629794 COc1cc(ccc1O)NCc2cc3c(s2)CCC3 270302a_100000726020_200011794416 [0,2,0,0,0,0|2,0,0]=4 935 B21R3.2629794 Cc1ccc(cc1C#N)NCc2nc3c(s2)CCC3 207a_100011216687_100000696605 [0,2,0,0,0,0|1,0,1]=4 936 B21R3.2629794 N#Cc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100011934039_100000696605 [0,2,0,0,0,0|1,0,1]=4 937 B21R3.2629794 N#Cc1cc(ccc1Cl)NCc2nc3c(s2)CCC3 207a_100000239497_100000696605 [0,2,0,0,0,0|1,0,1]=4 938 B21R3.2629794 N#Cc1cc(ccc1F)NCc2nc3c(s2)CCC3 207a_100000748589_100000696605 [0,2,0,0,0,0|1,0,1]=4 939 B21R3.2629794 OCc1cc(ccc1Br)NCc2cc3c(s2)CCC3 207a_100012347228_200011794416 [0,2,0,0,0,0|2,0,0]=4 940 B21R3.2629794 OCc1cc(ccc1Br)NCc2cc3c(s2)CCC3 270302a_100012347228_200011794416 [0,2,0,0,0,0|2,0,0]=4 941 B21R3.2629794 OCc1cc(ccc1Br)NCc2nc3c(s2)CCC3 207a_100012347228_100000696605 [0,2,0,0,0,0|1,0,0]=3 942 B21R3.2629794 OCc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 207a_100011273577_200011794416 [0,2,0,0,0,0|2,0,0]=4 943 B21R3.2629794 OCc1cc(ccc1Cl)NCc2cc3c(s2)CCC3 270302a_100011273577_200011794416 [0,2,0,0,0,0|2,0,0]=4 944 B21R3.2629794 OCc1cc(ccc1Cl)NCc2nc3c(s2)CCC3 207a_100011273577_100000696605 [0,2,0,0,0,0|1,0,0]=3 945 B21R3.2629794 OCc1cc(ccc1F)NCc2cc3c(s2)CCC3 207a_100011218011_200011794416 [0,2,0,0,0,0|2,0,0]=4 946 B21R3.2629794 OCc1cc(ccc1F)NCc2cc3c(s2)CCC3 270302a_100011218011_200011794416 [0,2,0,0,0,0|2,0,0]=4 947 B21R3.2629794 OCc1cc(ccc1F)NCc2nc3c(s2)CCC3 207a_100011218011_100000696605 [0,2,0,0,0,0|1,0,0]=3 948 B21R3.2416586 Cc1c(cc(cc1NCc2nc3c(s2)CCC3)Br)Br 207a_100010206801_100000696605 [0,2,0,0,0,0|2,0,0]=4 949 B21R3.2416586 Cc1c(cc(cc1NCc2nc3c(s2)CCC3)Br)F 207a_100009813729_100000696605 [0,2,0,0,0,0|2,0,0]=4 950 B21R3.2416586 Cc1c(cc(cc1NCc2nc3c(s2)CCC3)Cl)Br 207a_100010063005_100000696605 [0,2,0,0,0,0|2,0,0]=4 951 B21R3.2416586 Cc1c(cc(cc1NCc2nc3c(s2)CCC3)Cl)Cl 207a_200009956477_100000696605 [0,2,0,0,0,0|2,0,0]=4 952 B21R3.2416586 Cc1c(cc(cc1NCc2nc3c(s2)CCC3)Cl)I 207a_200000050010_100000696605 [0,2,0,0,0,0|2,0,0]=4 953 B21R3.2416586 Cc1c(cc(cc1NCc2nc3c(s2)CCC3)F)Br 207a_100009814351_100000696605 [0,2,0,0,0,0|2,0,0]=4 954 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)C)Br 207a_102495365385_200011794416 [0,2,0,0,0,0|2,0,0]=4 955 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)C)Br 270302a_102495365385_200011794416 [0,2,0,0,0,0|2,0,0]=4 956 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)C)C 207a_100000035412_200011794416 [0,2,0,0,0,0|2,0,0]=4 957 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)C)C 270302a_100000035412_200011794416 [0,2,0,0,0,0|2,0,0]=4 958 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)F)Br 207a_100010589139_200011794416 [0,2,0,0,0,0|2,0,0]=4 959 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)F)Br 270302a_100010589139_200011794416 [0,2,0,0,0,0|2,0,0]=4 960 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)I)F 270302a_100021129147_200011794416 [0,2,0,0,0,0|2,0,0]=4 961 B21R3.2416586 Cc1cc(c(c(c1)NCc2cc3c(s2)CCC3)O)C 270302a_100011216242_200011794416 [0,2,0,0,0,0|2,0,0]=4 962 B21R3.2416586 Cc1cc(c(c(c1)NCc2nc3c(s2)CCC3)C)Br 207a_102495365385_100000696605 [0,2,0,0,0,0|1,0,0]=3 963 B21R3.2416586 Cc1cc(c(c(c1)NCc2nc3c(s2)CCC3)C)C 207a_100000035412_100000696605 [0,2,0,0,0,0|1,0,0]=3 964 B21R3.2416586 Cc1cc(c(c(c1)NCc2nc3c(s2)CCC3)F)Br 207a_100010589139_100000696605 [0,2,0,0,0,0|1,0,0]=3 965 B21R3.2416586 Cc1cc(cc(c1F)NCc2cc3c(s2)CCC3)Br 207a_100010381932_200011794416 [0,2,0,0,0,0|2,0,0]=4 966 B21R3.2416586 Cc1cc(cc(c1F)NCc2cc3c(s2)CCC3)Br 270302a_100010381932_200011794416 [0,2,0,0,0,0|2,0,0]=4 967 B21R3.2416586 Cc1cc(cc(c1F)NCc2nc3c(s2)CCC3)Br 207a_100010381932_100000696605 [0,2,0,0,0,0|1,0,0]=3 968 B21R3.2416586 Cc1cc(cc(c1O)NCc2cc3c(s2)CCC3)Br 270302a_100011825904_200011794416 [0,2,0,0,0,0|2,0,0]=4 969 B21R3.2416586 Cc1cc(cc(c1O)NCc2cc3c(s2)CCC3)F 270302a_100000130126_200011794416 [0,2,0,0,0,0|2,0,0]=4 970 B21R3.2416586 Fc1c(cc(cc1NCc2nc3c(s2)CCC3)Cl)Br 207a_100010110407_100000696605 [0,2,0,0,0,0|2,0,0]=4 971 B21R3.2416586 Fc1c(cc(cc1NCc2nc3c(s2)CCC3)Cl)Cl 207a_100010713094_100000696605 [0,2,0,0,0,0|2,0,0]=4 972 B21R3.2416586 Fc1cc(c(c(c1)NCc2nc3c(s2)CCC3)F)Br 207a_100000722353_100000696605 [0,2,0,0,0,0|2,0,0]=4 973 B21R3.2416586 Fc1cc(c(c(c1)NCc2nc3c(s2)CCC3)F)F 207a_100000037171_100000696605 [0,2,0,0,0,0|2,0,0]=4 974 B21R3.36881082 Cc1c(cc(cc1Br)NCc2nc3c(s2)CCC3)Br 207a_100009813276_100000696605 [0,2,0,0,0,0|2,0,0]=4 975 B21R3.36881082 Cc1c(cc(cc1Br)NCc2nc3c(s2)CCC3)F 207a_100010254531_100000696605 [0,2,0,0,0,0|2,0,0]=4 976 B21R3.36881082 Cc1c(cc(cc1Cl)NCc2nc3c(s2)CCC3)Cl 207a_100000745310_100000696605 [0,2,0,0,0,0|2,0,0]=4 977 B21R3.36881082 Cc1c(cc(cc1F)NCc2nc3c(s2)CCC3)F 207a_100011216606_100000696605 [0,2,0,0,0,0|2,0,0]=4 978 B21R3.36881082 Cc1cc(cc(c1Br)C)NCc2cc3c(s2)CCC3 207a_100000684802_200011794416 [0,2,0,0,0,0|2,0,0]=4 979 B21R3.36881082 Cc1cc(cc(c1Br)C)NCc2cc3c(s2)CCC3 270302a_100000684802_200011794416 [0,2,0,0,0,0|2,0,0]=4 980 B21R3.36881082 Cc1cc(cc(c1Br)C)NCc2nc3c(s2)CCC3 207a_100000684802_100000696605 [0,2,0,0,0,0|1,0,0]=3 981 B21R3.36881082 Cc1cc(cc(c1Br)F)NCc2cc3c(s2)CCC3 207a_100010115923_200011794416 [0,2,0,0,0,0|2,0,0]=4 982 B21R3.36881082 Cc1cc(cc(c1Br)F)NCc2cc3c(s2)CCC3 270302a_100010115923_200011794416 [0,2,0,0,0,0|2,0,0]=4 983 B21R3.36881082 Cc1cc(cc(c1Br)F)NCc2nc3c(s2)CCC3 207a_100010115923_100000696605 [0,2,0,0,0,0|1,0,0]=3 984 B21R3.36881082 Cc1cc(cc(c1C)Br)NCc2cc3c(s2)CCC3 207a_100010368239_200011794416 [0,2,0,0,0,0|2,0,0]=4 985 B21R3.36881082 Cc1cc(cc(c1C)Br)NCc2cc3c(s2)CCC3 270302a_100010368239_200011794416 [0,2,0,0,0,0|2,0,0]=4 986 B21R3.36881082 Cc1cc(cc(c1C)Br)NCc2nc3c(s2)CCC3 207a_100010368239_100000696605 [0,2,0,0,0,0|1,0,0]=3 987 B21R3.36881082 Cc1cc(cc(c1C)C)NCc2cc3c(s2)CCC3 207a_100000074974_200011794416 [0,2,0,0,0,0|2,0,0]=4 988 B21R3.36881082 Cc1cc(cc(c1C)C)NCc2cc3c(s2)CCC3 270302a_100000074974_200011794416 [0,2,0,0,0,0|2,0,0]=4 989 B21R3.36881082 Cc1cc(cc(c1C)C)NCc2nc3c(s2)CCC3 207a_100000074974_100000696605 [0,2,0,0,0,0|1,0,0]=3 990 B21R3.36881082 Cc1cc(cc(c1Cl)Cl)NCc2cc3c(s2)CCC3 207a_100009830880_200011794416 [0,2,0,0,0,0|2,0,0]=4 991 B21R3.36881082 Cc1cc(cc(c1Cl)Cl)NCc2cc3c(s2)CCC3 270302a_100009830880_200011794416 [0,2,0,0,0,0|2,0,0]=4 992 B21R3.36881082 Cc1cc(cc(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_100009830880_100000696605 [0,2,0,0,0,0|1,0,0]=3 993 B21R3.36881082 Cc1cc(cc(c1F)C)NCc2cc3c(s2)CCC3 207a_100000061604_200011794416 [0,2,0,0,0,0|2,0,0]=4 994 B21R3.36881082 Cc1cc(cc(c1F)C)NCc2cc3c(s2)CCC3 270302a_100000061604_200011794416 [0,2,0,0,0,0|2,0,0]=4 995 B21R3.36881082 Cc1cc(cc(c1F)C)NCc2nc3c(s2)CCC3 207a_100000061604_100000696605 [0,2,0,0,0,0|1,0,0]=3 996 B21R3.36881082 Cc1cc(cc(c1F)F)NCc2cc3c(s2)CCC3 207a_100010704045_200011794416 [0,2,0,0,0,0|2,0,0]=4 997 B21R3.36881082 Cc1cc(cc(c1F)F)NCc2cc3c(s2)CCC3 270302a_100010704045_200011794416 [0,2,0,0,0,0|2,0,0]=4 998 B21R3.36881082 Cc1cc(cc(c1F)F)NCc2nc3c(s2)CCC3 207a_100010704045_100000696605 [0,2,0,0,0,0|1,0,0]=3 999 B21R3.36881082 Cc1cc(cc(c1I)C)NCc2cc3c(s2)CCC3 207a_100000215964_200011794416 [0,2,0,0,0,0|2,0,0]=4 1000 B21R3.36881082 Cc1cc(cc(c1I)C)NCc2cc3c(s2)CCC3 270302a_100000215964_200011794416 [0,2,0,0,0,0|2,0,0]=4 1001 B21R3.36881082 Cc1cc(cc(c1I)C)NCc2nc3c(s2)CCC3 207a_100000215964_100000696605 [0,2,0,0,0,0|1,0,0]=3 1002 B21R3.36881082 Cc1cc(cc(c1O)Br)NCc2cc3c(s2)CCC3 270302a_100010064301_200011794416 [0,2,0,0,0,0|2,0,0]=4 1003 B21R3.36881082 Cc1cc(cc(c1O)C)NCc2cc3c(s2)CCC3 270302a_100000703291_200011794416 [0,2,0,0,0,0|2,0,0]=4 1004 B21R3.36881082 Clc1cc(cc(c1Br)Cl)NCc2nc3c(s2)CCC3 207a_100010212259_100000696605 [0,2,0,0,0,0|2,0,0]=4 1005 B21R3.36881082 Clc1cc(cc(c1Cl)Br)NCc2nc3c(s2)CCC3 207a_100010735061_100000696605 [0,2,0,0,0,0|2,0,0]=4 1006 B21R3.36881082 Clc1cc(cc(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_100000037808_100000696605 [0,2,0,0,0,0|2,0,0]=4 1007 B21R3.36881082 Fc1c(cc(cc1Br)NCc2nc3c(s2)CCC3)Br 207a_100010209666_100000696605 [0,2,0,0,0,0|2,0,0]=4 1008 B21R3.36881082 Fc1c(cc(cc1Cl)NCc2nc3c(s2)CCC3)Cl 207a_100000700460_100000696605 [0,2,0,0,0,0|2,0,0]=4 1009 B21R3.36881082 Fc1cc(cc(c1Br)Cl)NCc2nc3c(s2)CCC3 207a_100000728458_100000696605 [0,2,0,0,0,0|2,0,0]=4 1010 B21R3.36881082 Fc1cc(cc(c1Br)F)NCc2nc3c(s2)CCC3 207a_100000687227_100000696605 [0,2,0,0,0,0|2,0,0]=4 1011 B21R3.36881082 Fc1cc(cc(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_100012961779_100000696605 [0,2,0,0,0,0|2,0,0]=4 1012 B21R3.36881082 Fc1cc(cc(c1Cl)F)NCc2nc3c(s2)CCC3 207a_100000094121_100000696605 [0,2,0,0,0,0|2,0,0]=4 1013 B21R3.36881082 Fc1cc(cc(c1F)Br)NCc2nc3c(s2)CCC3 207a_100009816004_100000696605 [0,2,0,0,0,0|2,0,0]=4 1014 B21R3.36881082 Fc1cc(cc(c1F)Cl)NCc2nc3c(s2)CCC3 207a_200009857453_100000696605 [0,2,0,0,0,0|2,0,0]=4 1015 B21R3.36881082 Fc1cc(cc(c1F)F)NCc2nc3c(s2)CCC3 207a_100000750163_100000696605 [0,2,0,0,0,0|2,0,0]=4 1016 B21R3.36881082 Fc1cc(cc(c1I)Cl)NCc2nc3c(s2)CCC3 207a_100014833993_100000696605 [0,2,0,0,0,0|2,0,0]=4 1017 B21R3.36881082 Fc1cc(cc(c1I)F)NCc2nc3c(s2)CCC3 207a_100000057532_100000696605 [0,2,0,0,0,0|2,0,0]=4 1018 B21R3.98003 COc1c(cccc1NCc2cc3c(s2)CCC3)C 207a_100012017360_200011794416 [0,2,0,0,0,0|2,0,0]=4 1019 B21R3.98003 COc1c(cccc1NCc2cc3c(s2)CCC3)C 270302a_100012017360_200011794416 [0,2,0,0,0,0|2,0,0]=4 1020 B21R3.98003 COc1c(cccc1NCc2nc3c(s2)CCC3)Br 207a_100011935253_100000696605 [0,2,0,0,0,0|2,0,0]=4 1021 B21R3.98003 COc1c(cccc1NCc2nc3c(s2)CCC3)C 207a_100012017360_100000696605 [0,2,0,0,0,0|1,0,0]=3 1022 B21R3.98003 COc1c(cccc1NCc2nc3c(s2)CCC3)Cl 207a_100000743799_100000696605 [0,2,0,0,0,0|2,0,0]=4 1023 B21R3.98003 COc1c(cccc1NCc2nc3c(s2)CCC3)F 207a_100011215007_100000696605 [0,2,0,0,0,0|2,0,0]=4 1024 B21R3.98003 Cc1cccc(c1C#N)NCc2cc3c(s2)CCC3 270302a_100000763283_200011794416 [0,2,0,0,0,0|2,0,0]=4 1025 B21R3.98003 OCc1c(cccc1NCc2nc3c(s2)CCC3)Br 207a_100000747656_100000696605 [0,2,0,0,0,0|2,0,0]=4 1026 B21R3.98003 OCc1c(cccc1NCc2nc3c(s2)CCC3)Cl 207a_100011916388_100000696605 [0,2,0,0,0,0|2,0,0]=4 1027 B21R3.98003 OCc1c(cccc1NCc2nc3c(s2)CCC3)F 207a_100011846719_100000696605 [0,2,0,0,0,0|2,0,0]=4 1028 B21R3.3932521 Cc1c(ccc(c1NCc2nc3c(s2)CCC3)F)Br 207a_100010588651_100000696605 [0,2,0,0,0,0|2,0,0]=4 1029 B21R3.3932521 Cc1ccc(c(c1C)NCc2cc3c(s2)CCC3)C 207a_100000117417_200011794416 [0,2,0,0,0,0|2,0,0]=4 1030 B21R3.3932521 Cc1ccc(c(c1C)NCc2cc3c(s2)CCC3)C 270302a_100000117417_200011794416 [0,2,0,0,0,0|2,0,0]=4 1031 B21R3.3932521 Cc1ccc(c(c1C)NCc2nc3c(s2)CCC3)C 207a_100000117417_100000696605 [0,2,0,0,0,0|1,0,0]=3 1032 B21R3.3932521 Cc1ccc(c(c1Cl)NCc2cc3c(s2)CCC3)F 207a_106744479701_200011794416 [0,2,0,0,0,0|2,0,0]=4 1033 B21R3.3932521 Cc1ccc(c(c1Cl)NCc2cc3c(s2)CCC3)F 270302a_106744479701_200011794416 [0,2,0,0,0,0|2,0,0]=4 1034 B21R3.3932521 Cc1ccc(c(c1Cl)NCc2nc3c(s2)CCC3)F 207a_106744479701_100000696605 [0,2,0,0,0,0|1,0,0]=3 1035 B21R3.3932521 Cc1ccc(c(c1F)NCc2cc3c(s2)CCC3)Cl 270302a_100000062009_200011794416 [0,2,0,0,0,0|2,0,0]=4 1036 B21R3.3932521 Cc1ccc(c(c1F)NCc2cc3c(s2)CCC3)F 207a_102495364760_200011794416 [0,2,0,0,0,0|2,0,0]=4 1037 B21R3.3932521 Cc1ccc(c(c1F)NCc2cc3c(s2)CCC3)F 270302a_102495364760_200011794416 [0,2,0,0,0,0|2,0,0]=4 1038 B21R3.3932521 Cc1ccc(c(c1F)NCc2nc3c(s2)CCC3)F 207a_102495364760_100000696605 [0,2,0,0,0,0|1,0,0]=3 1039 B21R3.3932521 Cc1ccc(c(c1NCc2nc3c(s2)CCC3)C)Br 207a_200010074581_100000696605 [0,2,0,0,0,0|2,0,0]=4 1040 B21R3.3932521 Cc1ccc(c(c1NCc2nc3c(s2)CCC3)C)Cl 207a_200020642106_100000696605 [0,2,0,0,0,0|2,0,0]=4 1041 B21R3.3932521 Cc1ccc(c(c1NCc2nc3c(s2)CCC3)C)I 207a_200010115591_100000696605 [0,2,0,0,0,0|2,0,0]=4 1042 B21R3.3932521 Fc1ccc(c(c1NCc2nc3c(s2)CCC3)F)Br 207a_100025793129_100000696605 [0,2,0,0,0,0|2,0,0]=4 1043 B21R3.3932521 Fc1ccc(c(c1NCc2nc3c(s2)CCC3)F)Cl 207a_102495364764_100000696605 [0,2,0,0,0,0|2,0,0]=4 1044 B21R3.7511569 Cc1c(ccc(c1Br)Br)NCc2nc3c(s2)CCC3 207a_100010244494_100000696605 [0,2,0,0,0,0|2,0,0]=4 1045 B21R3.7511569 Cc1c(ccc(c1Br)Cl)NCc2nc3c(s2)CCC3 207a_100016073598_100000696605 [0,2,0,0,0,0|2,0,0]=4 1046 B21R3.7511569 Cc1c(ccc(c1C)NCc2cc3c(s2)CCC3)Br 207a_100009816967_200011794416 [0,2,0,0,0,0|2,0,0]=4 1047 B21R3.7511569 Cc1c(ccc(c1C)NCc2cc3c(s2)CCC3)Br 270302a_100009816967_200011794416 [0,2,0,0,0,0|2,0,0]=4 1048 B21R3.7511569 Cc1c(ccc(c1C)NCc2cc3c(s2)CCC3)F 207a_100000062172_200011794416 [0,2,0,0,0,0|2,0,0]=4 1049 B21R3.7511569 Cc1c(ccc(c1C)NCc2cc3c(s2)CCC3)F 270302a_100000062172_200011794416 [0,2,0,0,0,0|2,0,0]=4 1050 B21R3.7511569 Cc1c(ccc(c1C)NCc2cc3c(s2)CCC3)O 270302a_200011216674_200011794416 [0,2,0,0,0,0|2,0,0]=4 1051 B21R3.7511569 Cc1c(ccc(c1C)NCc2nc3c(s2)CCC3)Br 207a_100009816967_100000696605 [0,2,0,0,0,0|1,0,0]=3 1052 B21R3.7511569 Cc1c(ccc(c1C)NCc2nc3c(s2)CCC3)F 207a_100000062172_100000696605 [0,2,0,0,0,0|1,0,0]=3 1053 B21R3.7511569 Cc1c(ccc(c1Cl)Br)NCc2nc3c(s2)CCC3 207a_100009816872_100000696605 [0,2,0,0,0,0|2,0,0]=4 1054 B21R3.7511569 Cc1c(ccc(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_114948340058_100000696605 [0,2,0,0,0,0|2,0,0]=4 1055 B21R3.7511569 Cc1c(ccc(c1Cl)NCc2cc3c(s2)CCC3)Cl 207a_100011935240_200011794416 [0,2,0,0,0,0|2,0,0]=4 1056 B21R3.7511569 Cc1c(ccc(c1Cl)NCc2cc3c(s2)CCC3)Cl 270302a_100011935240_200011794416 [0,2,0,0,0,0|2,0,0]=4 1057 B21R3.7511569 Cc1c(ccc(c1Cl)NCc2cc3c(s2)CCC3)F 207a_100009863382_200011794416 [0,2,0,0,0,0|2,0,0]=4 1058 B21R3.7511569 Cc1c(ccc(c1Cl)NCc2cc3c(s2)CCC3)F 270302a_100009863382_200011794416 [0,2,0,0,0,0|2,0,0]=4 1059 B21R3.7511569 Cc1c(ccc(c1Cl)NCc2nc3c(s2)CCC3)Cl 207a_100011935240_100000696605 [0,2,0,0,0,0|1,0,0]=3 1060 B21R3.7511569 Cc1c(ccc(c1Cl)NCc2nc3c(s2)CCC3)F 207a_100009863382_100000696605 [0,2,0,0,0,0|1,0,0]=3 1061 B21R3.7511569 Cc1c(ccc(c1F)Br)NCc2nc3c(s2)CCC3 207a_100010208198_100000696605 [0,2,0,0,0,0|2,0,0]=4 1062 B21R3.7511569 Cc1c(ccc(c1F)I)NCc2nc3c(s2)CCC3 207a_100010291050_100000696605 [0,2,0,0,0,0|2,0,0]=4 1063 B21R3.7511569 Cc1c(ccc(c1F)NCc2cc3c(s2)CCC3)Br 207a_100000722916_200011794416 [0,2,0,0,0,0|2,0,0]=4 1064 B21R3.7511569 Cc1c(ccc(c1F)NCc2cc3c(s2)CCC3)Br 270302a_100000722916_200011794416 [0,2,0,0,0,0|2,0,0]=4 1065 B21R3.7511569 Cc1c(ccc(c1F)NCc2cc3c(s2)CCC3)F 207a_102495366501_200011794416 [0,2,0,0,0,0|2,0,0]=4 1066 B21R3.7511569 Cc1c(ccc(c1F)NCc2cc3c(s2)CCC3)F 270302a_102495366501_200011794416 [0,2,0,0,0,0|2,0,0]=4 1067 B21R3.7511569 Cc1c(ccc(c1F)NCc2cc3c(s2)CCC3)O 270302a_200000126710_200011794416 [0,2,0,0,0,0|2,0,0]=4 1068 B21R3.7511569 Cc1c(ccc(c1F)NCc2nc3c(s2)CCC3)Br 207a_100000722916_100000696605 [0,2,0,0,0,0|1,0,0]=3 1069 B21R3.7511569 Cc1c(ccc(c1F)NCc2nc3c(s2)CCC3)F 207a_102495366501_100000696605 [0,2,0,0,0,0|1,0,0]=3 1070 B21R3.7511569 Cc1ccc(c(c1Br)C)NCc2nc3c(s2)CCC3 207a_106354213274_100000696605 [0,2,0,0,0,0|2,0,0]=4 1071 B21R3.7511569 Cc1ccc(c(c1C)C)NCc2cc3c(s2)CCC3 207a_100000116900_200011794416 [0,2,0,0,0,0|2,0,0]=4 1072 B21R3.7511569 Cc1ccc(c(c1C)C)NCc2cc3c(s2)CCC3 270302a_100000116900_200011794416 [0,2,0,0,0,0|2,0,0]=4 1073 B21R3.7511569 Cc1ccc(c(c1C)C)NCc2nc3c(s2)CCC3 207a_100000116900_100000696605 [0,2,0,0,0,0|1,0,0]=3 1074 B21R3.7511569 Cc1ccc(c(c1Cl)C)NCc2nc3c(s2)CCC3 207a_100009954856_100000696605 [0,2,0,0,0,0|2,0,0]=4 1075 B21R3.7511569 Cc1ccc(c(c1F)F)NCc2nc3c(s2)CCC3 207a_100000062217_100000696605 [0,2,0,0,0,0|2,0,0]=4 1076 B21R3.7511569 Cc1ccc(c(c1I)C)NCc2nc3c(s2)CCC3 207a_100011170560_100000696605 [0,2,0,0,0,0|2,0,0]=4 1077 B21R3.7511569 Clc1c(ccc(c1Cl)NCc2nc3c(s2)CCC3)Br 207a_100000701039_100000696605 [0,2,0,0,0,0|2,0,0]=4 1078 B21R3.7511569 Clc1ccc(c(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_200000033989_100000696605 [0,2,0,0,0,0|2,0,0]=4 1079 B21R3.7511569 Fc1c(ccc(c1Cl)Br)NCc2nc3c(s2)CCC3 207a_100009813730_100000696605 [0,2,0,0,0,0|2,0,0]=4 1080 B21R3.7511569 Fc1c(ccc(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_100000036759_100000696605 [0,2,0,0,0,0|2,0,0]=4 1081 B21R3.7511569 Fc1c(ccc(c1Cl)NCc2nc3c(s2)CCC3)Br 207a_100010109752_100000696605 [0,2,0,0,0,0|2,0,0]=4 1082 B21R3.7511569 Fc1c(ccc(c1Cl)NCc2nc3c(s2)CCC3)Cl 207a_100000069711_100000696605 [0,2,0,0,0,0|2,0,0]=4 1083 B21R3.7511569 Fc1c(ccc(c1F)NCc2nc3c(s2)CCC3)Br 207a_100010200256_100000696605 [0,2,0,0,0,0|2,0,0]=4 1084 B21R3.7511569 Fc1c(ccc(c1F)NCc2nc3c(s2)CCC3)Cl 207a_100000088996_100000696605 [0,2,0,0,0,0|2,0,0]=4 1085 B21R3.7511569 Fc1c(ccc(c1F)NCc2nc3c(s2)CCC3)I 207a_100010291506_100000696605 [0,2,0,0,0,0|2,0,0]=4 1086 B21R3.7511569 Fc1ccc(c(c1Br)F)NCc2nc3c(s2)CCC3 207a_100010070858_100000696605 [0,2,0,0,0,0|2,0,0]=4 1087 B21R3.7511569 Fc1ccc(c(c1Cl)Cl)NCc2nc3c(s2)CCC3 207a_100000068956_100000696605 [0,2,0,0,0,0|2,0,0]=4 1088 B21R3.7511569 Fc1ccc(c(c1Cl)F)NCc2nc3c(s2)CCC3 207a_100000038966_100000696605 [0,2,0,0,0,0|2,0,0]=4 1089 B21R3.7511569 Fc1ccc(c(c1F)F)NCc2nc3c(s2)CCC3 207a_100000210235_100000696605 [0,2,0,0,0,0|2,0,0]=4 1090 B21R3.7511569 Fc1ccc(c(c1I)F)NCc2nc3c(s2)CCC3 207a_100015510717_100000696605 [0,2,0,0,0,0|2,0,0]=4 1091 B21R3.475351 Cc1cc(c(cc1Br)C)NCc2cc3c(s2)CCC3 207a_100011934712_200011794416 [0,2,0,0,0,0|2,0,0]=4 1092 B21R3.475351 Cc1cc(c(cc1Br)C)NCc2cc3c(s2)CCC3 270302a_100011934712_200011794416 [0,2,0,0,0,0|2,0,0]=4 1093 B21R3.475351 Cc1cc(c(cc1Br)C)NCc2nc3c(s2)CCC3 207a_100011934712_100000696605 [0,2,0,0,0,0|1,0,0]=3 1094 B21R3.475351 Cc1cc(c(cc1Br)F)NCc2cc3c(s2)CCC3 207a_100000691575_200011794416 [0,2,0,0,0,0|2,0,0]=4 1095 B21R3.475351 Cc1cc(c(cc1Br)F)NCc2cc3c(s2)CCC3 270302a_100000691575_200011794416 [0,2,0,0,0,0|2,0,0]=4 1096 B21R3.475351 Cc1cc(c(cc1Br)F)NCc2nc3c(s2)CCC3 207a_100000691575_100000696605 [0,2,0,0,0,0|1,0,0]=3 1097 B21R3.475351 Cc1cc(c(cc1Br)NCc2nc3c(s2)CCC3)C 207a_100000703630_100000696605 [0,2,0,0,0,0|2,0,0]=4 1098 B21R3.475351 Cc1cc(c(cc1Br)NCc2nc3c(s2)CCC3)F 207a_100010239588_100000696605 [0,2,0,0,0,0|2,0,0]=4 1099 B21R3.475351 Cc1cc(c(cc1C)NCc2cc3c(s2)CCC3)Br 270302a_100012337760_200011794416 [0,2,0,0,0,0|2,0,0]=4 1100 B21R3.475351 Cc1cc(c(cc1C)NCc2cc3c(s2)CCC3)C 207a_100011217141_200011794416 [0,2,0,0,0,0|2,0,0]=4 1101 B21R3.475351 Cc1cc(c(cc1C)NCc2cc3c(s2)CCC3)C 270302a_100011217141_200011794416 [0,2,0,0,0,0|2,0,0]=4 1102 B21R3.475351 Cc1cc(c(cc1C)NCc2cc3c(s2)CCC3)Cl 207a_100012183282_200011794416 [0,2,0,0,0,0|2,0,0]=4 1103 B21R3.475351 Cc1cc(c(cc1C)NCc2cc3c(s2)CCC3)Cl 270302a_100012183282_200011794416 [0,2,0,0,0,0|2,0,0]=4 1104 B21R3.475351 Cc1cc(c(cc1C)NCc2cc3c(s2)CCC3)I 270302a_100012353678_200011794416 [0,2,0,0,0,0|2,0,0]=4 1105 B21R3.475351 Cc1cc(c(cc1C)NCc2nc3c(s2)CCC3)C 207a_100011217141_100000696605 [0,2,0,0,0,0|1,0,0]=3 1106 B21R3.475351 Cc1cc(c(cc1C)NCc2nc3c(s2)CCC3)Cl 207a_100012183282_100000696605 [0,2,0,0,0,0|1,0,0]=3 1107 B21R3.475351 Cc1cc(c(cc1Cl)C)NCc2cc3c(s2)CCC3 207a_100011830454_200011794416 [0,2,0,0,0,0|2,0,0]=4 1108 B21R3.475351 Cc1cc(c(cc1Cl)C)NCc2cc3c(s2)CCC3 270302a_100011830454_200011794416 [0,2,0,0,0,0|2,0,0]=4 1109 B21R3.475351 Cc1cc(c(cc1Cl)C)NCc2nc3c(s2)CCC3 207a_100011830454_100000696605 [0,2,0,0,0,0|1,0,0]=3 1110 B21R3.475351 Cc1cc(c(cc1Cl)Cl)NCc2cc3c(s2)CCC3 207a_100012000392_200011794416 [0,2,0,0,0,0|2,0,0]=4 1111 B21R3.475351 Cc1cc(c(cc1Cl)Cl)NCc2cc3c(s2)CCC3 270302a_100012000392_200011794416 [0,2,0,0,0,0|2,0,0]=4 1112 B21R3.475351 Cc1cc(c(cc1Cl)Cl)NCc2nc3c(s2)CCC3 207a_100012000392_100000696605 [0,2,0,0,0,0|1,0,0]=3 1113 B21R3.475351 Cc1cc(c(cc1Cl)F)NCc2cc3c(s2)CCC3 207a_100000091823_200011794416 [0,2,0,0,0,0|2,0,0]=4 1114 B21R3.475351 Cc1cc(c(cc1Cl)F)NCc2cc3c(s2)CCC3 270302a_100000091823_200011794416 [0,2,0,0,0,0|2,0,0]=4 1115 B21R3.475351 Cc1cc(c(cc1Cl)F)NCc2nc3c(s2)CCC3 207a_100000091823_100000696605 [0,2,0,0,0,0|1,0,0]=3 1116 B21R3.475351 Cc1cc(c(cc1F)Br)NCc2cc3c(s2)CCC3 270302a_100010233353_200011794416 [0,2,0,0,0,0|2,0,0]=4 1117 B21R3.475351 Cc1cc(c(cc1F)Cl)NCc2cc3c(s2)CCC3 207a_100000729549_200011794416 [0,2,0,0,0,0|2,0,0]=4 1118 B21R3.475351 Cc1cc(c(cc1F)Cl)NCc2cc3c(s2)CCC3 270302a_100000729549_200011794416 [0,2,0,0,0,0|2,0,0]=4 1119 B21R3.475351 Cc1cc(c(cc1F)Cl)NCc2nc3c(s2)CCC3 207a_100000729549_100000696605 [0,2,0,0,0,0|1,0,0]=3 1120 B21R3.475351 Cc1cc(c(cc1F)I)NCc2cc3c(s2)CCC3 270302a_100010238302_200011794416 [0,2,0,0,0,0|2,0,0]=4 1121 B21R3.475351 Cc1cc(c(cc1F)NCc2nc3c(s2)CCC3)F 207a_100012002673_100000696605 [0,2,0,0,0,0|2,0,0]=4 1122 B21R3.475351 Cc1cc(c(cc1F)O)NCc2cc3c(s2)CCC3 270302a_100012022779_200011794416 [0,2,0,0,0,0|2,0,0]=4 1123 B21R3.475351 Cc1cc(c(cc1I)NCc2nc3c(s2)CCC3)F 207a_100011014115_100000696605 [0,2,0,0,0,0|2,0,0]=4 1124 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)Br)Cl 207a_100010244688_100000696605 [0,2,0,0,0,0|2,0,0]=4 1125 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)Br)F 207a_100000717900_100000696605 [0,2,0,0,0,0|2,0,0]=4 1126 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)Cl)Br 207a_100012353740_100000696605 [0,2,0,0,0,0|2,0,0]=4 1127 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)Cl)Cl 207a_100012017293_100000696605 [0,2,0,0,0,0|2,0,0]=4 1128 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)Cl)F 207a_100012017673_100000696605 [0,2,0,0,0,0|2,0,0]=4 1129 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)F)Br 207a_100000695870_100000696605 [0,2,0,0,0,0|2,0,0]=4 1130 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)F)F 207a_100011830416_100000696605 [0,2,0,0,0,0|2,0,0]=4 1131 B21R3.475351 Cc1cc(c(cc1NCc2nc3c(s2)CCC3)F)I 207a_100010291052_100000696605 [0,2,0,0,0,0|2,0,0]=4 1132 B21R3.475351 Fc1cc(c(cc1Br)F)NCc2nc3c(s2)CCC3 207a_100000690247_100000696605 [0,2,0,0,0,0|2,0,0]=4 1133 B21R3.475351 Fc1cc(c(cc1Br)NCc2nc3c(s2)CCC3)F 207a_100000700208_100000696605 [0,2,0,0,0,0|2,0,0]=4 1134 B21R3.475351 Fc1cc(c(cc1Cl)F)NCc2nc3c(s2)CCC3 207a_100011998097_100000696605 [0,2,0,0,0,0|2,0,0]=4 1135 B21R3.475351 Fc1cc(c(cc1Cl)NCc2nc3c(s2)CCC3)F 207a_100011998096_100000696605 [0,2,0,0,0,0|2,0,0]=4 1136 B21R3.475351 Fc1cc(c(cc1F)NCc2nc3c(s2)CCC3)F 207a_100000750162_100000696605 [0,2,0,0,0,0|2,0,0]=4 1137 B21R3.475351 Fc1cc(c(cc1I)F)NCc2nc3c(s2)CCC3 207a_100010185194_100000696605 [0,2,0,0,0,0|2,0,0]=4 1138 B21R3.475351 Fc1cc(c(cc1NCc2nc3c(s2)CCC3)Br)Br 207a_200010212207_100000696605 [0,2,0,0,0,0|2,0,0]=4 1139 B21R3.475351 Fc1cc(c(cc1NCc2nc3c(s2)CCC3)Br)Cl 207a_100013023876_100000696605 [0,2,0,0,0,0|2,0,0]=4 1140 B21R3.475351 Fc1cc(c(cc1NCc2nc3c(s2)CCC3)Cl)Br 207a_100012356688_100000696605 [0,2,0,0,0,0|2,0,0]=4 1141 B21R3.475351 Fc1cc(c(cc1NCc2nc3c(s2)CCC3)Cl)Cl 207a_100000724578_100000696605 [0,2,0,0,0,0|2,0,0]=4 1142 B21R3.781646 CCc1ccc(cc1NCc2nc3c(s2)CCC3)Br 207a_100012354963_100000696605 [0,2,0,0,0,0|2,0,0]=4 1143 B21R3.781646 CCc1ccc(cc1NCc2nc3c(s2)CCC3)Cl 207a_200012281948_100000696605 [0,2,0,0,0,0|2,0,0]=4 1144 B21R3.781646 COc1ccc(cc1NCc2cc3c(s2)CCC3)C 207a_100000210980_200011794416 [0,2,0,0,0,0|2,0,0]=4 1145 B21R3.781646 COc1ccc(cc1NCc2cc3c(s2)CCC3)C 270302a_100000210980_200011794416 [0,2,0,0,0,0|2,0,0]=4 1146 B21R3.781646 COc1ccc(cc1NCc2nc3c(s2)CCC3)Br 207a_100000743470_100000696605 [0,2,0,0,0,0|2,0,0]=4 1147 B21R3.781646 COc1ccc(cc1NCc2nc3c(s2)CCC3)C 207a_100000210980_100000696605 [0,2,0,0,0,0|1,0,0]=3 1148 B21R3.781646 COc1ccc(cc1NCc2nc3c(s2)CCC3)Cl 207a_100000182114_100000696605 [0,2,0,0,0,0|2,0,0]=4 1149 B21R3.781646 COc1ccc(cc1NCc2nc3c(s2)CCC3)F 207a_100000757179_100000696605 [0,2,0,0,0,0|2,0,0]=4 1150 B21R3.781646 COc1ccc(cc1NCc2nc3c(s2)CCC3)I 207a_100011249504_100000696605 [0,2,0,0,0,0|2,0,0]=4 1151 B21R3.781646 CSc1ccc(cc1NCc2nc3c(s2)CCC3)Cl 207a_100000745667_100000696605 [0,2,0,0,0,0|2,0,0]=4 1152 B21R3.781646 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)C#N 270302a_100011218341_200011794416 [0,2,0,0,0,0|2,0,0]=4 1153 B21R3.781646 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)CO 207a_100000087799_200011794416 [0,2,0,0,0,0|2,0,0]=4 1154 B21R3.781646 Cc1ccc(c(c1)NCc2cc3c(s2)CCC3)CO 270302a_100000087799_200011794416 [0,2,0,0,0,0|2,0,0]=4 1155 B21R3.781646 Cc1ccc(c(c1)NCc2nc3c(s2)CCC3)CO 207a_100000087799_100000696605 [0,2,0,0,0,0|1,0,0]=3 1156 B21R3.781646 OCc1ccc(cc1NCc2nc3c(s2)CCC3)Br 207a_100000718831_100000696605 [0,2,0,0,0,0|2,0,0]=4 1157 B21R3.781646 OCc1ccc(cc1NCc2nc3c(s2)CCC3)Cl 207a_100000238622_100000696605 [0,2,0,0,0,0|2,0,0]=4 1158 B21R3.781646 OCc1ccc(cc1NCc2nc3c(s2)CCC3)F 207a_100011996588_100000696605 [0,2,0,0,0,0|2,0,0]=4 1159 B21R3.2475199 CCc1ccc(cc1Cl)NCc2nc3c(s2)CCC3 207a_100000766362_100000696605 [0,2,0,0,0,0|2,0,0]=4 1160 B21R3.2475199 COc1ccc(cc1Br)NCc2nc3c(s2)CCC3 207a_100000187427_100000696605 [0,2,0,0,0,0|2,0,0]=4 1161 B21R3.2475199 COc1ccc(cc1C)NCc2cc3c(s2)CCC3 207a_100000743268_200011794416 [0,2,0,0,0,0|2,0,0]=4 1162 B21R3.2475199 COc1ccc(cc1C)NCc2cc3c(s2)CCC3 270302a_100000743268_200011794416 [0,2,0,0,0,0|2,0,0]=4 1163 B21R3.2475199 COc1ccc(cc1C)NCc2nc3c(s2)CCC3 207a_100000743268_100000696605 [0,2,0,0,0,0|1,0,0]=3 1164 B21R3.2475199 COc1ccc(cc1Cl)NCc2nc3c(s2)CCC3 207a_100000211044_100000696605 [0,2,0,0,0,0|2,0,0]=4 1165 B21R3.2475199 COc1ccc(cc1F)NCc2nc3c(s2)CCC3 207a_100000740183_100000696605 [0,2,0,0,0,0|2,0,0]=4 1166 B21R3.2475199 COc1ccc(cc1I)NCc2nc3c(s2)CCC3 207a_100011356947_100000696605 [0,2,0,0,0,0|2,0,0]=4 1167 B21R3.2475199 CSc1ccc(cc1F)NCc2nc3c(s2)CCC3 207a_100000762756_100000696605 [0,2,0,0,0,0|2,0,0]=4 1168 B21R3.2475199 Cc1cc(ccc1C#N)NCc2cc3c(s2)CCC3 207a_100011999795_200011794416 [0,2,0,0,0,0|2,0,0]=4 1169 B21R3.2475199 Cc1cc(ccc1C#N)NCc2cc3c(s2)CCC3 270302a_100011999795_200011794416 [0,2,0,0,0,0|2,0,0]=4 1170 B21R3.2475199 Cc1cc(ccc1C#N)NCc2nc3c(s2)CCC3 207a_100011999795_100000696605 [0,2,0,0,0,0|1,0,0]=3 1171 B21R3.2475199 Cc1cc(ccc1CO)NCc2cc3c(s2)CCC3 207a_100000102464_200011794416 [0,2,0,0,0,0|2,0,0]=4 1172 B21R3.2475199 Cc1cc(ccc1CO)NCc2cc3c(s2)CCC3 270302a_100000102464_200011794416 [0,2,0,0,0,0|2,0,0]=4 1173 B21R3.2475199 Cc1cc(ccc1CO)NCc2nc3c(s2)CCC3 207a_100000102464_100000696605 [0,2,0,0,0,0|1,0,0]=3 1174 B21R3.2475199 N#Cc1ccc(cc1Br)NCc2nc3c(s2)CCC3 207a_100000689153_100000696605 [0,2,0,0,0,0|2,0,0]=4 1175 B21R3.2475199 OCc1ccc(cc1Cl)NCc2nc3c(s2)CCC3 207a_100000689119_100000696605 [0,2,0,0,0,0|2,0,0]=4 1176 B19R3.74629 Cc1ccsc1CNCc2nc3c(s2)CCC3 207a_100000238519_100000696605 [0,0,1,1,0,0|1,0,1]=4 1177 B19R3.74629 Cn1ccnc1CNCc2nc3c(s2)CCC3 207a_100015186572_100000696605 [0,0,1,1,0,0|1,0,1]=4 1178 B17R2.2599 Cc1ccnc(c1)Sc2nc(c(s2)C)CO 62a_100000750283_100010127906 [0,0,1,0,1,0|2,0,0]=4 1179 B17R2.2599 Cc1ccnc(c1)Sc2nc(c(s2)C)CO 62a_100010127906_100000750283 [0,0,1,0,1,0|2,0,0]=4 1180 B17R2.2599 Cc1ccnc(c1)Sc2nc(c(s2)CO)C 62a_100000750283_100010264302 [0,0,1,0,1,0|2,0,0]=4 1181 B17R2.2599 Cc1ccnc(c1)Sc2nc(c(s2)CO)C 62a_100010264302_100000750283 [0,0,1,0,1,0|2,0,0]=4 1182 B17R2.3372 Cc1ccnc(c1)CC(=O)CC2=CCCC2 1458a_100000050221_100000718516 [0,0,1,0,1,0|1,1,0]=4 1183 B17R2.5287 CC(=NNc1cc(ccn1)C)C2=CCCC2 4a_100000746014_100000732673 [0,0,1,0,1,0|2,0,0]=4 1184 B17R2.5287 Cc1ccnc(c1)NNC(=O)C2=CCCC2 22a_100000746014_100000038896 [0,0,1,0,1,0|1,1,0]=4 1185 B17R2.4578 CCCc1ccc(s1)Sc2cc(ccn2)C 62a_100000750283_100010157708 [0,0,1,0,1,0|2,0,0]=4 1186 B17R2.4578 CCCc1ccc(s1)Sc2cc(ccn2)C 62a_100010157708_100000750283 [0,0,1,0,1,0|2,0,0]=4 1187 B17R3.18290 Cc1ccnc(c1)c2cn3c(n2)CCC3 271570a_100000049243_100015205953 [0,0,0,0,2,0|2,0,0]=4 1188 B19R2.2352 C/C=C/C=CC(=O)NCc1nc2c(s1)CCCC2 11a_100000750234_100000185730 [0,0,1,0,0,1|2,0,0]=4 1189 B19R2.2352 C/C=C/C=CC(=O)NCc1nc2c(s1)CCCC2 1626a_100000750234_100000185730 [0,0,1,0,0,1|2,0,0]=4 1190 B19R2.2352 C/C=C/C=CC(=O)NCc1nc2c(s1)CCCC2 240690a_100000750234_100000185730 [0,0,1,0,0,1|2,0,0]=4 1191 B19R2.2390 C/C=C/C=CC(=O)NCCc1nc2c(s1)CCC2 11a_100011225269_100000185730 [0,0,1,0,0,1|2,0,0]=4 1192 B19R2.2390 C/C=C/C=CC(=O)NCCc1nc2c(s1)CCC2 1626a_100011225269_100000185730 [0,0,1,0,0,1|2,0,0]=4 1193 B19R2.2390 C/C=C/C=CC(=O)NCCc1nc2c(s1)CCC2 240690a_100011225269_100000185730 [0,0,1,0,0,1|2,0,0]=4 1194 B19R2.6641 CCCc1ccc(s1)C=NNc2cc(ccn2)C 4a_100000746014_100000085172 [0,0,1,0,0,1|1,0,1]=4 1195 B19R2.6641 CCCc1ccc(s1)CNCc2cccc(c2)C 207a_100000185548_100000085172 [0,0,1,0,0,1|2,0,0]=4 1196 B19R2.6641 CCCc1ccc(s1)CNCc2cccc(c2)C 270004a_100000185548_100000085172 [0,0,1,0,0,1|2,0,0]=4 1197 B19R3.19255 c1cc(ncn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000703185 [1,0,0,0,0,1|1,0,0]=3 1198 B19R3.19255 c1ccc(cc1)NCc2cc3c(s2)CCCC3 207a_100000106764_100011794407 [1,0,0,0,0,1|2,0,0]=4 1199 B19R3.19255 c1ccc(cc1)NCc2cc3c(s2)CCCC3 270302a_100000106764_100011794407 [1,0,0,0,0,1|2,0,0]=4 1200 B19R3.19255 c1ccc(nc1)CSc2nc3c(s2)CNCC3 62a_100000721315_100015205579 [1,0,0,0,0,1|2,0,0]=4 1201 B19R3.19255 c1ccc(nc1)CSc2nc3c(s2)CNCC3 62a_100015205579_100000721315 [1,0,0,0,0,1|2,0,0]=4 1202 B19R3.19255 c1cnc(cn1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000211759 [1,0,0,0,0,1|1,0,0]=3 1203 B19R3.19255 c1cnc(nc1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000211032 [1,0,0,0,0,1|1,0,0]=3 1204 B19R3.19255 c1cnnc(c1)NCc2nc3c(s2)CCCC3 27a_100000750234_100016991348 [1,0,0,0,0,1|1,0,0]=3 1205 B19R3.19315 C(=NNc1ccccc1)c2nc3c(s2)CCC3 4a_100015195140_100000696605 [1,0,0,0,0,1|1,0,1]=4 1206 B19R3.19315 C(=NNc1ccccn1)c2cc3c(s2)CCC3 4a_100000183288_200011794416 [1,0,0,0,0,1|1,0,1]=4 1207 B19R3.19315 C(=NNc1ccccn1)c2nc3c(s2)CCC3 4a_100000183288_100000696605 [1,0,0,0,0,1|0,0,1]=3 1208 B19R3.19315 C(=NNc1cccnn1)c2nc3c(s2)CCC3 4a_100000757824_100000696605 [1,0,0,0,0,1|1,0,1]=4 1209 B19R3.19315 C(=NNc1ccncn1)c2nc3c(s2)CCC3 4a_100011438088_100000696605 [1,0,0,0,0,1|1,0,1]=4 1210 B19R3.19315 C(=NNc1cnccn1)c2nc3c(s2)CCC3 4a_100000736894_100000696605 [1,0,0,0,0,1|1,0,1]=4 1211 B19R3.19315 C(=NNc1ncccn1)c2nc3c(s2)CCC3 4a_100000736892_100000696605 [1,0,0,0,0,1|1,0,1]=4 1212 B19R3.19315 c1cc(ncn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000703185 [1,0,0,0,0,1|1,0,0]=3 1213 B19R3.19315 c1ccc(cc1)CNCc2cc3c(s2)CCC3 207a_100015324214_200011794416 [1,0,0,0,0,1|2,0,0]=4 1214 B19R3.19315 c1ccc(cc1)CNCc2cc3c(s2)CCC3 270004a_100015324214_200011794416 [1,0,0,0,0,1|2,0,0]=4 1215 B19R3.19315 c1ccc(cc1)CNCc2nc3c(s2)CCC3 207a_100015324214_100000696605 [1,0,0,0,0,1|1,0,0]=3 1216 B19R3.19315 c1ccc(nc1)CNCc2cc3c(s2)CCC3 270004a_100000210449_200011794416 [1,0,0,0,0,1|1,0,0]=3 1217 B19R3.19315 c1cnc(cn1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000211759 [1,0,0,0,0,1|1,0,0]=3 1218 B19R3.19315 c1cnc(nc1)NCCc2nc3c(s2)CCC3 27a_100011225269_100000211032 [1,0,0,0,0,1|1,0,0]=3 1219 B19R3.19315 c1cncc(c1)CNCc2nc3c(s2)CCC3 207a_100000210453_100000696605 [1,0,0,0,0,1|2,0,0]=4 1220 B19R3.19315 c1cnnc(c1)NCCc2nc3c(s2)CCC3 27a_100011225269_100016991348 [1,0,0,0,0,1|1,0,0]=3 1221 B19R3.51205 Cc1nc(no1)NCc2nc3c(s2)CCCC3 27a_100000750234_100012003639 [0,0,0,0,1,1|2,0,0]=4 1222 B19R3.51205 Cc1nnc(o1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000708914 [0,0,0,0,1,1|2,0,0]=4 1223 B19R3.51205 Cc1nnc(s1)NCc2nc3c(s2)CCCC3 27a_100000750234_100000686958 [0,0,0,0,1,1|2,0,0]=4 1224 B19R3.54463 Cc1cc(ncn1)Sc2nc3c(s2)CNCC3 62a_100000744208_100015205579 [0,0,0,0,1,1|2,0,0]=4 1225 B19R3.54463 Cc1cc(ncn1)Sc2nc3c(s2)CNCC3 62a_100015205579_100000744208 [0,0,0,0,1,1|2,0,0]=4 1226 B19R3.54463 Cc1cccc(c1)Sc2nc3c(s2)CNCC3 62a_100011215228_100015205579 [0,0,0,0,1,1|2,0,0]=4 1227 B19R3.54463 Cc1cccc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100011215228 [0,0,0,0,1,1|2,0,0]=4 1228 B19R3.54463 Cc1ccnc(c1)Sc2cc3c(s2)CCCC3 62a_100000750283_100010127270 [0,0,0,0,1,1|2,0,0]=4 1229 B19R3.54463 Cc1ccnc(c1)Sc2cc3c(s2)CCCC3 62a_100010127270_100000750283 [0,0,0,0,1,1|2,0,0]=4 1230 B19R3.54463 Cc1ccnc(c1)Sc2cc3c(s2)CCNC3 62a_100000750283_100025757484 [0,0,0,0,1,1|2,0,0]=4 1231 B19R3.54463 Cc1ccnc(c1)Sc2cc3c(s2)CCNC3 62a_100025757484_100000750283 [0,0,0,0,1,1|2,0,0]=4 1232 B19R3.54463 Cc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100000750283_100015205579 [0,0,0,0,1,1|1,0,0]=3 1233 B19R3.54463 Cc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100000750283 [0,0,0,0,1,1|1,0,0]=3 1234 B19R3.54463 Cc1ccnc(n1)Sc2nc3c(s2)CNCC3 62a_100011243806_100015205579 [0,0,0,0,1,1|2,0,0]=4 1235 B19R3.54463 Cc1ccnc(n1)Sc2nc3c(s2)CNCC3 62a_100015205579_100011243806 [0,0,0,0,1,1|2,0,0]=4 1236 B19R3.54463 Cc1cnnc(c1)Sc2nc3c(s2)CNCC3 62a_100000070100_100015205579 [0,0,0,0,1,1|2,0,0]=4 1237 B19R3.54463 Cc1cnnc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100000070100 [0,0,0,0,1,1|2,0,0]=4 1238 B19R3.54463 Clc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100010167805_100015205579 [0,0,0,0,1,1|2,0,0]=4 1239 B19R3.54463 Clc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100010167805 [0,0,0,0,1,1|2,0,0]=4 1240 B19R3.54463 Fc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100000764206_100015205579 [0,0,0,0,1,1|2,0,0]=4 1241 B19R3.54463 Fc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100000764206 [0,0,0,0,1,1|2,0,0]=4 1242 B19R3.54463 Nc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100009814236_100015205579 [0,0,0,0,1,1|2,0,0]=4 1243 B19R3.54463 Nc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100009814236 [0,0,0,0,1,1|2,0,0]=4 1244 B19R3.54463 Oc1ccnc(c1)Sc2nc3c(s2)CNCC3 62a_100015205579_100000762945 [0,0,0,0,1,1|2,0,0]=4 1245 B19R3.61636 Cn1ncnc1NCc2nc3c(s2)CCCC3 27a_100000750234_100000732653 [0,0,0,0,1,1|2,0,0]=4 1246 B21R3.151465 Brc1cccc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100000210085 [0,0,0,0,0,2|2,0,0]=4 1247 B21R3.151465 Brc1cccc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000698116 [0,0,0,0,0,2|2,0,0]=4 1248 B21R3.151465 Brc1cccc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100000210085 [0,0,0,0,0,2|2,0,0]=4 1249 B21R3.151465 Brc1ccnc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100010173614 [0,0,0,0,0,2|1,0,0]=3 1250 B21R3.151465 Brc1ccnc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100009818557 [0,0,0,0,0,2|1,0,0]=3 1251 B21R3.151465 Cc1cc(ccn1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100011361630 [0,0,0,0,0,2|2,0,0]=4 1252 B21R3.151465 Cc1cc(ccn1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_200020672517 [0,0,0,0,0,2|2,0,0]=4 1253 B21R3.151465 Cc1cc(ccn1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100011361630 [0,0,0,0,0,2|2,0,0]=4 1254 B21R3.151465 Cc1cc(ccn1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000758586 [0,0,0,0,0,2|2,0,0]=4 1255 B21R3.151465 Cc1cc(ncn1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000744208 [0,0,0,0,0,2|1,0,0]=3 1256 B21R3.151465 Cc1cccc(c1)CCSc2nc3c(s2)CNCC3 62a_100011713685_100015205579 [0,0,0,0,0,2|2,0,0]=4 1257 B21R3.151465 Cc1cccc(c1)CCSc2nc3c(s2)CNCC3 62a_100015205579_100011713685 [0,0,0,0,0,2|2,0,0]=4 1258 B21R3.151465 Cc1cccc(c1)CNCc2cc3c(s2)CCCC3 207a_100000185548_100011794407 [0,0,0,0,0,2|2,0,0]=4 1259 B21R3.151465 Cc1cccc(c1)CNCc2cc3c(s2)CCCC3 270004a_100000185548_100011794407 [0,0,0,0,0,2|2,0,0]=4 1260 B21R3.151465 Cc1cccc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100000211157 [0,0,0,0,0,2|1,0,0]=3 1261 B21R3.151465 Cc1cccc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000211840 [0,0,0,0,0,2|1,0,0]=3 1262 B21R3.151465 Cc1cccc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100000211157 [0,0,0,0,0,2|1,0,0]=3 1263 B21R3.151465 Cc1cccc(n1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100011215050 [0,0,0,0,0,2|2,0,0]=4 1264 B21R3.151465 Cc1cccc(n1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000757606 [0,0,0,0,0,2|2,0,0]=4 1265 B21R3.151465 Cc1cccc(n1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100011215050 [0,0,0,0,0,2|2,0,0]=4 1266 B21R3.151465 Cc1ccnc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100011361488 [0,0,0,0,0,2|0,0,0]=2 1267 B21R3.151465 Cc1ccnc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000718516 [0,0,0,0,0,2|0,0,0]=2 1268 B21R3.151465 Cc1ccnc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100011361488 [0,0,0,0,0,2|0,0,0]=2 1269 B21R3.151465 Cc1ccnc(c1)NN=Cc2cc3c(s2)CCCC3 4a_100000746014_100011794407 [0,0,0,0,0,2|1,0,1]=4 1270 B21R3.151465 Cc1ccnc(n1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000750684 [0,0,0,0,0,2|1,0,0]=3 1271 B21R3.151465 Cc1cncc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100011998712 [0,0,0,0,0,2|2,0,0]=4 1272 B21R3.151465 Cc1cncc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000716715 [0,0,0,0,0,2|2,0,0]=4 1273 B21R3.151465 Cc1cncc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100011998712 [0,0,0,0,0,2|2,0,0]=4 1274 B21R3.151465 Cc1cnnc(c1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000070100 [0,0,0,0,0,2|1,0,0]=3 1275 B21R3.151465 Clc1cccc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100000210801 [0,0,0,0,0,2|2,0,0]=4 1276 B21R3.151465 Clc1cccc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000181238 [0,0,0,0,0,2|2,0,0]=4 1277 B21R3.151465 Clc1cccc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100000210801 [0,0,0,0,0,2|2,0,0]=4 1278 B21R3.151465 Clc1ccnc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100016988179 [0,0,0,0,0,2|1,0,0]=3 1279 B21R3.151465 Clc1ccnc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100011998288 [0,0,0,0,0,2|1,0,0]=3 1280 B21R3.151465 Fc1cc(ncn1)NCCc2nc3c(s2)CCCC3 27a_100011225267_200009880791 [0,0,0,0,0,2|2,0,0]=4 1281 B21R3.151465 Fc1cccc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100000210812 [0,0,0,0,0,2|2,0,0]=4 1282 B21R3.151465 Fc1cccc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100000230114 [0,0,0,0,0,2|2,0,0]=4 1283 B21R3.151465 Fc1cccc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100000210812 [0,0,0,0,0,2|2,0,0]=4 1284 B21R3.151465 Fc1ccnc(c1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000764206 [0,0,0,0,0,2|1,0,0]=3 1285 B21R3.151465 Ic1cccc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100000014684 [0,0,0,0,0,2|2,0,0]=4 1286 B21R3.151465 Ic1cccc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100011218688 [0,0,0,0,0,2|2,0,0]=4 1287 B21R3.151465 Ic1cccc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100000014684 [0,0,0,0,0,2|2,0,0]=4 1288 B21R3.151465 Nc1cc(ncn1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000701291 [0,0,0,0,0,2|2,0,0]=4 1289 B21R3.151465 Nc1ccnc(n1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000757536 [0,0,0,0,0,2|2,0,0]=4 1290 B21R3.151465 Oc1cc(ncn1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100000765262 [0,0,0,0,0,2|2,0,0]=4 1291 B21R3.151465 Oc1cccc(c1)CNCc2nc3c(s2)CCCC3 207a_100000750234_100000188321 [0,0,0,0,0,2|2,0,0]=4 1292 B21R3.151465 Oc1cccc(c1)CNCc2nc3c(s2)CCCC3 2230a_100000750234_100011660834 [0,0,0,0,0,2|2,0,0]=4 1293 B21R3.151465 Oc1cccc(c1)CNCc2nc3c(s2)CCCC3 270004a_100000750234_100000188321 [0,0,0,0,0,2|2,0,0]=4 1294 B21R3.151465 Oc1ccnc(n1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100011649813 [0,0,0,0,0,2|2,0,0]=4 1295 B21R3.151465 [O-][n+]1ccnc(c1)NCCc2nc3c(s2)CCCC3 27a_100011225267_100009880115 [0,0,0,0,0,2|2,0,0]=4 1296 B21R3.469780 Cc1cccc(c1)NCc2cc3c(cn2)OCCC3 207a_100000188690_100000144815 [0,0,0,0,0,2|2,0,0]=4 1297 B21R3.3822309 Brc1cccc(c1)CCNCc2nc3c(s2)CCC3 207a_100011207229_100000696605 [0,0,0,0,0,2|2,0,0]=4 1298 B21R3.3822309 Brc1cccc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100000210085 [0,0,0,0,0,2|2,0,0]=4 1299 B21R3.3822309 Brc1cccc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000698116 [0,0,0,0,0,2|2,0,0]=4 1300 B21R3.3822309 Brc1cccc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100000210085 [0,0,0,0,0,2|2,0,0]=4 1301 B21R3.3822309 Brc1ccnc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100010173614 [0,0,0,0,0,2|1,0,0]=3 1302 B21R3.3822309 Brc1ccnc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100009818557 [0,0,0,0,0,2|1,0,0]=3 1303 B21R3.3822309 Cc1cc(ccn1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100011361630 [0,0,0,0,0,2|2,0,0]=4 1304 B21R3.3822309 Cc1cc(ccn1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_200020672517 [0,0,0,0,0,2|2,0,0]=4 1305 B21R3.3822309 Cc1cc(ccn1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100011361630 [0,0,0,0,0,2|2,0,0]=4 1306 B21R3.3822309 Cc1cccc(c1)CCNCc2cc3c(s2)CCC3 207a_100000749837_200011794416 [0,0,0,0,0,2|2,0,0]=4 1307 B21R3.3822309 Cc1cccc(c1)CCNCc2cc3c(s2)CCC3 270004a_100000749837_200011794416 [0,0,0,0,0,2|2,0,0]=4 1308 B21R3.3822309 Cc1cccc(c1)CCNCc2nc3c(s2)CCC3 207a_100000749837_100000696605 [0,0,0,0,0,2|1,0,0]=3 1309 B21R3.3822309 Cc1cccc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100000211157 [0,0,0,0,0,2|1,0,0]=3 1310 B21R3.3822309 Cc1cccc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000211840 [0,0,0,0,0,2|1,0,0]=3 1311 B21R3.3822309 Cc1cccc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100000211157 [0,0,0,0,0,2|1,0,0]=3 1312 B21R3.3822309 Cc1cccc(n1)CCNCc2nc3c(s2)CCC3 207a_100011824523_100000696605 [0,0,0,0,0,2|2,0,0]=4 1313 B21R3.3822309 Cc1cccc(n1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100011215050 [0,0,0,0,0,2|2,0,0]=4 1314 B21R3.3822309 Cc1cccc(n1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000757606 [0,0,0,0,0,2|2,0,0]=4 1315 B21R3.3822309 Cc1cccc(n1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100011215050 [0,0,0,0,0,2|2,0,0]=4 1316 B21R3.3822309 Cc1ccnc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100011361488 [0,0,0,0,0,2|0,0,0]=2 1317 B21R3.3822309 Cc1ccnc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000718516 [0,0,0,0,0,2|0,0,0]=2 1318 B21R3.3822309 Cc1ccnc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100011361488 [0,0,0,0,0,2|0,0,0]=2 1319 B21R3.3822309 Cc1cncc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100011998712 [0,0,0,0,0,2|2,0,0]=4 1320 B21R3.3822309 Cc1cncc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000716715 [0,0,0,0,0,2|2,0,0]=4 1321 B21R3.3822309 Cc1cncc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100011998712 [0,0,0,0,0,2|2,0,0]=4 1322 B21R3.3822309 Clc1cccc(c1)CCNCc2nc3c(s2)CCC3 207a_100000185263_100000696605 [0,0,0,0,0,2|2,0,0]=4 1323 B21R3.3822309 Clc1cccc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100000210801 [0,0,0,0,0,2|2,0,0]=4 1324 B21R3.3822309 Clc1cccc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000181238 [0,0,0,0,0,2|2,0,0]=4 1325 B21R3.3822309 Clc1cccc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100000210801 [0,0,0,0,0,2|2,0,0]=4 1326 B21R3.3822309 Clc1ccnc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100016988179 [0,0,0,0,0,2|1,0,0]=3 1327 B21R3.3822309 Clc1ccnc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100011998288 [0,0,0,0,0,2|1,0,0]=3 1328 B21R3.3822309 Fc1cccc(c1)CCNCc2nc3c(s2)CCC3 207a_100000205154_100000696605 [0,0,0,0,0,2|2,0,0]=4 1329 B21R3.3822309 Fc1cccc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100000210812 [0,0,0,0,0,2|2,0,0]=4 1330 B21R3.3822309 Fc1cccc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100000230114 [0,0,0,0,0,2|2,0,0]=4 1331 B21R3.3822309 Fc1cccc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100000210812 [0,0,0,0,0,2|2,0,0]=4 1332 B21R3.3822309 Ic1cccc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100000014684 [0,0,0,0,0,2|2,0,0]=4 1333 B21R3.3822309 Ic1cccc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100011218688 [0,0,0,0,0,2|2,0,0]=4 1334 B21R3.3822309 Ic1cccc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100000014684 [0,0,0,0,0,2|2,0,0]=4 1335 B21R3.3822309 Oc1cccc(c1)CNCCc2nc3c(s2)CCC3 207a_100011225269_100000188321 [0,0,0,0,0,2|2,0,0]=4 1336 B21R3.3822309 Oc1cccc(c1)CNCCc2nc3c(s2)CCC3 2230a_100011225269_100011660834 [0,0,0,0,0,2|2,0,0]=4 1337 B21R3.3822309 Oc1cccc(c1)CNCCc2nc3c(s2)CCC3 270004a_100011225269_100000188321 [0,0,0,0,0,2|2,0,0]=4