0 B12R1.891 CC(C)(N)CNc1ccccn1 CSC012186473 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.891 CS(=O)(=O)NCc1ccccc1 CSC000169538 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.891 FC(F)(F)CSc1ccccc1 CSC000044406 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.157 CC(C)(N)CNc1ccncc1Br CSC013405061 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.157 CC(C)(N)CNc1ncccc1Br CSC012984288 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.157 CC(C)(O)CNc1nccnc1Cl CSC012217101 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.157 CC(C)(O)CNc1ncncc1Br CSC012461522 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.254 CC(C)(CO)NCc1ccccc1 CSC000186973 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.254 CC(C)(CO)NCc1cccnc1 CSC000186871 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.254 CC(C)(CO)NCc1ccncc1 CSC000186974 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.254 CCC(C)(C)NCc1ccccc1 CSC011200195 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.254 CCC(C)(C)NCc1ccccn1 CSC000712686 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.254 CCC(C)(C)NCc1cccnc1 CSC000712581 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.254 CCC(C)(C)NCc1ccncc1 CSC000712679 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.254 CNS(=O)(=O)CCc1ccccc1 CSC011275428 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 CSC000171332 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 CSC000153469 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.512 CC(C)(N)CNc1ccc(cn1)Br CSC012984245 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.512 CC(C)(O)CNc1ncc(cn1)Br CSC011940528 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.512 CC(C)(O)CNc1ncc(cn1)Cl CSC012597854 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.838 CC(C)(N)CNc1cncc(c1)Br CSC014501620 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.509 CS(=O)(=O)Cc1ccccc1 CSC000034595 [0,0,0,0,1,0|2,0,1]=4 32 B11R1.510 CC(C)(C)NCc1ccco1 CSC000216215 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.3523 CC(C)(O)CNCc1ccccc1 CSC000697163 [0,0,0,0,0,1|0,0,0]=1 34 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 CSC000165585 [0,0,0,0,0,1|2,0,1]=4 35 B13R1.3523 FC(F)(F)CCSc1ccccc1 CSC000043975 [0,0,0,0,0,1|3,0,0]=4 36 B13R1.3523 FC(F)(F)CNCc1ccccc1 CSC000181772 [0,0,0,0,0,1|3,0,0]=4 37 B13R1.3523 FC(F)(F)CSCc1ccccc1 CSC000038770 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.17 CCCSc1ccccc1 CSC000005822 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.17 CCCSc1ccccn1 CSC000006455 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.17 COCSc1ccccc1 CSC000000817 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CSCCc1ccncc1 CSC015420737 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 OCCSc1ccccc1 CSC000230494 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.17 OCCSc1ccccn1 CSC000156319 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 OCCSc1ccncc1 CSC011297907 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.21 CC(C)NCc1ccc(cc1)C CSC000195779 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.21 CC(C)NCc1ccc(cc1)Cl CSC000195761 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.21 CC(C)NCc1ccc(cc1)F CSC000195765 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.21 CC(O)CSc1ccc(cc1)Cl CSC011366763 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.43 CC(C)C(=O)Nc1ccccc1 CSC000153472 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.43 CC(C)C(=O)Oc1ccccc1 CSC000001937 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.125 CC(C)CNc1ccccc1Br CSC011231685 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.125 CC(C)COc1ccccc1Br CSC000173973 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.125 CC(C)NCc1ccccc1Br CSC000195800 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.125 CC(C)NCc1ccccc1C CSC000195778 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.125 CC(C)NCc1ccccc1Cl CSC000195757 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.196 CC(C)(CO)NCc1ccco1 CSC000216216 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.196 CC(C)(CO)NCc1cccs1 CSC000186870 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.196 CC(C)(CO)NCc1ccsc1 CSC000216244 [0,1,0,0,1,0|2,0,0]=4 70 B14R1.131 CC(C)(N)CNCc1ccc(cc1)Br CSC015075096 [0,1,0,0,0,1|1,0,0]=3 71 B14R1.131 CC(C)(N)CNCc1ccc(cc1)Cl CSC015072771 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.131 CC(C)(O)CCNc1ncc(cn1)Br CSC013664624 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.131 CC(C)(O)CCNc1ncc(cn1)Cl CSC013664619 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.147 CC(C)(N)CNCc1cccc(c1)Br CSC015073334 [0,1,0,0,0,1|1,0,0]=3 75 B14R1.147 CC(C)(N)CNCc1cccc(c1)Cl CSC015073458 [0,1,0,0,0,1|1,0,0]=3 76 B14R1.242 CC(C)(N)CNCc1ccccc1Br CSC015073335 [0,1,0,0,0,1|1,0,0]=3 77 B14R1.242 CC(C)(N)CNCc1ccccc1Cl CSC013996492 [0,1,0,0,0,1|1,0,0]=3 78 B14R1.242 CC(C)(O)CCNc1ncncc1Br CSC013664622 [0,1,0,0,0,1|2,0,0]=4 79 B14R1.242 CC(C)(O)CCSc1nccnc1N CSC014089877 [0,1,0,0,0,1|2,0,0]=4 80 B14R1.292 NCC(F)(F)CNCc1ccccc1 CSC015161627 [0,1,0,0,0,1|2,0,0]=4 81 B14R1.433 CC(C)(C)CC(=O)Nc1ccccc1 CSC000153505 [0,1,0,0,0,1|1,0,1]=4 82 B14R1.3098 CC(CNC(C)(C)C)c1ccccc1 CSC011234372 [0,1,0,0,0,1|1,0,0]=3 83 B14R1.3099 CC(C)(C)C(=O)NCc1ccccc1 CSC000153115 [0,1,0,0,0,1|1,0,1]=4 84 B14R1.3099 CC(C)(O)C(=O)NNc1ccccc1 CSC049025334 [0,1,0,0,0,1|1,0,1]=4 85 B14R1.3099 CC(C)(O)C(=O)OCc1ccccc1 CSC000058941 [0,1,0,0,0,1|0,0,1]=3 86 B14R1.298 CC(C)(CO)NCc1ccccc1Cl CSC000215846 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.298 CC(C)(CO)NCc1ccccc1F CSC000215850 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.298 CCC(C)(C)NCc1ccccc1C CSC000712534 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.298 CCC(C)(C)NCc1ccccc1Cl CSC000712530 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.298 CCC(C)(C)NCc1ccccc1F CSC000737466 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.298 Cc1ccccc1CNC(C)(C)CO CSC000215851 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.293 CC(C)(CO)NCc1ccc(cc1)Br CSC000186869 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.293 CC(C)(CO)NCc1ccc(cc1)Cl CSC000188752 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.293 CC(C)(CO)NCc1ccc(cc1)F CSC000186872 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.293 CCC(C)(C)NCc1ccc(cc1)Br CSC000712528 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.293 CCC(C)(C)NCc1ccc(cc1)C CSC000712676 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.293 CCC(C)(C)NCc1ccc(cc1)Cl CSC000712527 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.293 CCC(C)(C)NCc1ccc(cc1)F CSC000737457 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.293 Cc1ccc(cc1)CNC(C)(C)CO CSC000180855 [0,2,0,0,0,0|1,0,0]=3 100 B14R1.294 CC(C)(CO)NCc1cccc(c1)Cl CSC000215847 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.294 CCC(C)(C)NCc1cccc(c1)Br CSC000712674 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.294 CCC(C)(C)NCc1cccc(c1)C CSC000712538 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.294 CCC(C)(C)NCc1cccc(c1)Cl CSC000712529 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.294 Cc1cccc(c1)CNC(C)(C)CO CSC011200173 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.684 Cc1ccc(cc1I)NCC(C)(C)N CSC015073010 [0,2,0,0,0,0|2,0,0]=4 106 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [1,0,0,1,0,0|1,0,0]=3 107 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [1,0,0,1,0,0|1,0,0]=3 108 B14R2.403 CC1(CCN(C1)c2ccccn2)C CSC015889437 [0,0,0,1,0,1|2,0,0]=4 109 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,0,0,0,1,0|1,0,1]=4 110 B10R1.66 CC(C)NCc1ccsc1 CSC000200228 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.66 CC(C)SCc1ccco1 CSC000028915 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [1,0,0,0,0,1|0,0,2]=4 113 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [1,0,0,0,0,1|0,0,2]=4 114 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [1,0,0,0,0,1|0,0,2]=4 115 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [1,0,0,0,0,1|0,0,2]=4 116 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [1,0,0,0,0,1|0,0,2]=4 117 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [1,0,0,0,0,1|0,0,2]=4 118 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [1,0,0,0,0,1|0,0,0]=2 119 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [1,0,0,0,0,1|1,0,0]=3 120 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [1,0,0,0,0,1|1,0,0]=3 121 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [1,0,0,0,0,1|1,0,0]=3 122 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [1,0,0,0,0,1|0,0,0]=2 123 B12R1.252 CC(O)CNCc1cccnc1 CSC000180864 [1,0,0,0,0,1|1,0,0]=3 124 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [1,0,0,0,0,1|1,0,0]=3