0 B13R2.10 O[C@@H]1CCN(C1)c2cnccn2 CSC012064627 [0,1,0,0,0,0|3,0,0]=4 1 B13R2.10 O[C@H]1CCN(C1)c2cnccn2 CSC012056722 [0,1,0,0,0,0|3,0,0]=4 2 B13R2.13 Brc1cncc(c1)N2CCCC2 CSC011949850 [0,1,0,0,0,0|2,0,0]=3 3 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,0,1,0,0,0|1,0,0]=2 4 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,0,1,0,0,0|2,0,1]=4 5 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [0,0,1,0,0,0|1,0,1]=3 6 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,0,1,0,0,0|1,0,0]=2 7 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,0,1,0,0,0|3,0,0]=4 8 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,0,1,0,0,0|3,0,0]=4 9 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,0,1,0,0,0|2,0,0]=3 10 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,0,1,0,0,0|0,0,0]=1 11 B11R1.28 CCCNCc1ccncc1 CSC000180873 [0,0,1,0,0,0|2,0,0]=3 12 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,0,1,0,0,0|2,0,0]=3 13 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,0,1,0,0,0|3,0,0]=4 15 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,0,1,0,0,0|2,0,0]=3 16 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.28 OCCNCc1ccncc1 CSC000200482 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.29 C=CCNC(=O)C1CCCN1 CSC000737588 [0,0,1,0,0,0|3,0,0]=4 20 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.64 C(N1CCCC1)c2cccnc2 CSC011191287 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.64 C1CCC(C1)Nc2ccccn2 CSC000156706 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,1,1,0,0,0|2,0,0]=4 27 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,1,1,0,0,0|1,0,0]=3 28 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,1,1,0,0,0|1,0,0]=3 29 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,1,1,0,0,0|1,0,0]=3 30 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,1,1,0,0,0|1,0,1]=4 31 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,1,1,0,0,0|1,0,0]=3 32 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [0,1,1,0,0,0|2,0,0]=4 33 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,1,1,0,0,0|1,0,0]=3 34 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,1,1,0,0,0|1,0,1]=4 35 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,1,1,0,0,0|1,0,0]=3 36 B12R1.39 CCNS(=O)(=O)c1cccnc1 CSC011280848 [0,1,1,0,0,0|2,0,0]=4 37 B12R1.107 CC(C)NC(=O)c1cccnc1 CSC000157531 [0,1,1,0,0,0|1,0,1]=4 38 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,1,1,0,0,0|1,0,1]=4 39 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,1,1,0,0,0|1,0,1]=4 40 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,1,1,0,0,0|1,0,1]=4 41 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [0,1,1,0,0,0|1,0,0]=3 42 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [0,1,1,0,0,0|1,0,0]=3 43 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [0,1,1,0,0,0|1,0,0]=3 44 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [0,1,1,0,0,0|1,0,1]=4 49 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,1,1,0,0,0|1,0,0]=3 52 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [0,1,1,0,0,0|0,0,0]=2 54 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.8 COCCNCc1ccncc1 CSC000200151 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,1,1,0,0,0|1,0,1]=4 60 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [0,1,1,0,0,0|0,0,1]=3 61 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,1,1,0,0,0|0,0,0]=2 63 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.27 CNC(=O)NCc1cccnc1 CSC000233843 [0,1,1,0,0,0|1,0,1]=4 66 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [0,1,1,0,0,0|1,0,0]=3 67 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [0,1,1,0,0,0|1,0,0]=3 68 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [0,1,1,0,0,0|1,0,0]=3 69 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [0,1,1,0,0,0|1,0,0]=3 70 B12R1.28 OCCNCc1cccc(c1)Br CSC000187539 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.32 CN(CCN)Cc1cccnc1 CSC011293284 [0,1,1,0,0,0|1,0,0]=3 72 B12R1.32 CN(CCN)Cc1cnccn1 CSC011729100 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.32 CN(CCO)Cc1cccnc1 CSC011316762 [0,1,1,0,0,0|1,0,0]=3 74 B12R1.32 CN(CCO)Cc1cnccn1 CSC011589787 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,1,1,0,0,0|1,0,1]=4 76 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [0,1,1,0,0,0|0,0,0]=2 78 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [0,1,1,0,0,0|2,0,0]=4 79 B12R1.252 CC(O)CNCc1cccnc1 CSC000180864 [0,1,1,0,0,0|0,0,0]=2 80 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [0,1,1,0,0,0|2,0,0]=4 81 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,1,1,0,0,0|1,0,1]=4 82 B12R1.267 CCCNCc1ccccc1C CSC000196471 [0,1,1,0,0,0|1,0,0]=3 83 B12R1.267 CCCNCc1ccccc1Cl CSC000196458 [0,1,1,0,0,0|1,0,0]=3 84 B12R1.267 Cc1ccccc1CNCCO CSC000200476 [0,1,1,0,0,0|2,0,0]=4 85 B12R1.267 OCCNCc1ccccc1Cl CSC000200449 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.267 OCCNCc1ccccc1F CSC000200485 [0,1,1,0,0,0|2,0,0]=4 87 B12R2.6 Brc1cnn(c1)C2CCCC2 CSC011400204 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.6 Cc1nc(no1)C2CCCN2 CSC000748960 [0,1,0,0,1,0|2,0,0]=4 89 B12R2.6 Cc1noc(n1)[C@@H]2CCCN2 CSC012180936 [0,1,0,0,1,0|2,0,0]=4 90 B12R2.6 Clc1cnn(c1)C2CCCC2 CSC015199455 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.6 Ic1cnn(c1)C2CCCC2 CSC012073187 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.6 Nc1nc(cs1)C2CCCC2 CSC011717751 [0,1,0,0,1,0|2,0,0]=4 93 B14R2.21 Brc1cncc(c1)N2CCCCC2 CSC011949838 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.21 Brc1cncc(c1)N2CCNCC2 CSC012354265 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.21 Brc1cncc(c1)N2CCOCC2 CSC011949866 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.50 Cc1ccccc1NC2CCCC2 CSC011232007 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.114 O=C(N1CCCC1)c2cccnc2 CSC000158143 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.716 Brc1cncc(c1)NC2CCNC2 CSC014501562 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.22 CC1CCN(C1)c2cncc(c2)Br CSC012464341 [0,2,0,0,0,0|2,0,0]=4 100 B14R2.22 NC1CCN(C1)c2cncc(c2)Br CSC014501559 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.1 N#Cc1ccc(cn1)N2CCCC2 CSC000692350 [0,2,0,0,0,0|2,0,0]=4 102 B14R2.269 CC1CCCN1c2cncc(c2)Br CSC012468084 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.306 Cc1cnc(=O)n(c1)C2CCCC2 CSC116209071 [0,2,0,0,0,0|2,0,0]=4 104 B14R2.14 CCN1CCCC1c2cccnc2 CSC025761708 [0,2,0,0,0,0|0,0,0]=2 105 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [0,0,1,1,0,0|1,0,0]=3 106 B12R1.118 CCN(CC)Cc1cccnc1 CSC011211242 [0,0,1,0,0,1|2,0,0]=4 107 B14R2.6 C(N1CCCCC1)c2cccnc2 CSC011210942 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.6 C(N1CCNCC1)c2cccnc2 CSC000241969 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.6 C(N1CCOCC1)c2cccnc2 CSC011210961 [0,0,0,0,0,2|2,0,0]=4 110 B14R2.101 C(NC1CCCC1)c2cccnc2 CSC000187007 [0,0,0,0,0,2|1,0,0]=3