0 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.8 C=CCc1ccccc1 ACT11557 [1,0,0,0,0,0|0,0,2]=3 6 B9R1.8 CCOc1cnccn1 ACT06614 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 CNCc1ccccc1 ACT05529 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 CSSc1ccccc1 ACT06218 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 c1cnccc1CCN ACT01588 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 c1cnccc1CCO ACT09815 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.20 CC(=O)Nc1ccc(cc1)F ACT09591 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(=O)Nc1ccc(cc1)O ACT06727 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 c1cc(ccc1CC(=O)O)F ACT00993 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.36 CC(c1ccccc1)C(=O)O ACT06839 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.36 C[C@H](c1ccccc1)C(=O)O ACT10302 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.36 c1ccc(cc1)C(C(=O)O)N ACT07739 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 c1ccc(cc1)C(C(=O)O)O ACT11898 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N ACT07779 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.40 c1ccc(cc1)C[C@@H](CO)N ACT02363 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.40 c1ccc(cc1)C[C@H](CO)N ACT03137 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N ACT09874 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.509 C[N+](C)(C)Cc1ccccc1 ACT05641 [0,1,0,0,0,0|2,0,0]=3 29 B11R2.10 CC1Cc2ccccc2O1 ACT04628 [0,0,0,1,0,0|1,0,0]=2 30 B11R2.10 c1ccc2c(c1)CC(=C2)Br ACT10966 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,0,0,0,1,0|2,0,1]=4 33 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,0,0,0,1,0|2,0,1]=4 34 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,0,0,0,1,0|1,0,0]=2 36 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,0,0,0,1,0|0,0,0]=1 37 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,0,0,0,1,0|2,0,1]=4 38 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,0,0,0,1,0|2,0,1]=4 39 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,0,0,0,1,0|2,0,1]=4 40 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,0,0,0,1,0|2,0,1]=4 41 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,0,0,0,1,0|2,0,1]=4 42 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,0,0,0,1,0|2,0,1]=4 43 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.91 c1ccc(cc1)COC(=O)Cl ACT05249 [0,0,0,0,0,1|2,0,1]=4 45 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|0,0,2]=4 46 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 c1cnc(cn1)CN ACT11863 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 c1cnccc1CO ACT05965 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.4 C=CCc1ccccc1O ACT04626 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.4 CCNc1ccccc1C ACT11407 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.10 CNCc1cccc(c1)Br ACT09067 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [1,1,0,0,0,0|0,0,2]=4 59 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.15 C#CC(c1ccccc1)O ACT09707 [1,1,0,0,0,0|0,0,2]=4 62 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.17 CCCCc1ccccn1 ACT09789 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.17 CCCCc1cccnc1 ACT09823 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.17 CNCCc1ccccn1 ACT05580 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.17 CNCCc1ccccn1 ACT05583 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.17 CNCCc1ccncc1 ACT01599 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,1,0,0,1,0|1,0,1]=4 72 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,1,0,0,1,0|1,0,1]=4 73 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,1,0,0,1,0|0,0,0]=2 76 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,1,0,0,1,0|0,0,0]=2 77 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,1,0,0,1,0|1,0,1]=4 79 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,1,0,0,1,0|1,0,1]=4 80 B10R1.28 CC(C)(c1cccnc1)N ACT10766 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.28 c1ccc(cc1)S(=O)(=O)N ACT05670 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,1,0,0,1,0|1,0,1]=4 83 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,1,0,0,1,0|1,0,1]=4 84 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,1,0,0,1,0|1,0,1]=4 85 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,1,0,0,1,0|1,0,1]=4 86 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,1,0,0,1,0|0,0,0]=2 87 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,1,0,0,1,0|0,0,0]=2 88 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,1,0,0,1,0|1,0,1]=4 89 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,1,0,0,1,0|1,0,1]=4 90 B12R1.27 c1ccc(cc1)COC(=O)CN ACT03310 [0,1,0,0,0,1|1,0,1]=4 91 B12R1.27 c1ccc(cc1)COC(=O)CN ACT07362 [0,1,0,0,0,1|1,0,1]=4 92 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br ACT04702 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.49 COC(=O)Cc1ccc(cc1)F ACT09576 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.49 c1cc(ccc1CC(=O)NN)F ACT09570 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O ACT04173 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.34 COC(=O)C(c1ccccc1)N ACT07168 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.34 COC(=O)[C@@H](c1ccccc1)N ACT07454 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.564 CC(C)([C@H](c1ccccc1)N)O ACT07304 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.564 CC(C)([C@H](c1ccccc1)N)O ACT09086 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.32 CN(CCN)Cc1ccccc1 ACT08553 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.151 Cc1ccccc1CC(C)(C)N ACT08619 [0,2,0,0,0,0|0,0,0]=2 102 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [1,0,0,1,0,0|1,0,0]=3 103 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,1,0,0|1,0,1]=4 104 B12R2.606 Cc1cc2cc(ccc2[nH]1)O ACT09227 [0,1,0,1,0,0|0,0,2]=4 105 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C ACT05059 [0,1,0,1,0,0|0,0,2]=4 106 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 ACT02547 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 ACT02488 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.606 c1cc2c(cc1F)NC(=O)C2 ACT02554 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.18 c1ccc2c(c1)CC(C2=O)Br ACT04557 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.202 CC1=Cc2c(cccc2Br)C1 ACT04566 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.202 CC1=Cc2cccc(c2C1)Br ACT04571 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 ACT06658 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 ACT06670 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 ACT06669 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 ACT02565 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.8 CSCc1ccco1 ACT06193 [1,0,0,0,1,0|2,0,0]=4