0 B10R1.10 CNCc1cccc(c1)Br ACT09067 [1,0,0,0,0,0|0,1,0]=2 1 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [1,0,0,0,0,0|0,1,0]=2 2 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [1,0,0,0,0,0|0,1,2]=4 3 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [1,0,0,0,0,0|0,1,0]=2 4 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 CCCCc1ccccn1 ACT09789 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CCCCc1cccnc1 ACT09823 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CNCCc1ccccn1 ACT05580 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 CNCCc1ccccn1 ACT05583 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 CNCCc1ccncc1 ACT01599 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.17 c1cc(cc(c1)Br)[C@@H](CCO)N ACT07734 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N ACT05008 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.17 c1cc(cc(c1)Cl)[C@H](CCO)N ACT07802 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 ACT08016 [0,0,0,1,0,0|2,1,0]=4 15 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,0,0,1,0,0|2,1,0]=4 16 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,0,0,1,0,0|2,1,0]=4 17 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.612 c1cc2c(cc1Cl)COC2=O ACT09470 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,0,0,1,0,0|2,1,0]=4 20 B10R1.29 CCCCc1ccsc1Br ACT11595 [0,0,0,0,1,0|2,1,0]=4 21 B9R0.45 CCCC\C=C\C=C\C=O ACT06049 [1,0,1,0,0,0|2,0,0]=4 22 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [2,0,0,0,0,0|0,0,2]=4 23 B9R1.2 COc1cccc(c1)Br ACT04958 [2,0,0,0,0,0|1,1,0]=4 24 B9R1.2 COc1cccc(c1)S ACT04985 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.2 COc1cccc(n1)Cl ACT10158 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 Cc1cccc(c1)NN ACT08527 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 c1c(cncc1Cl)CO ACT07609 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [2,0,0,0,0,0|1,1,0]=4 30 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [2,0,0,0,0,0|1,1,0]=4 31 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [2,0,0,0,0,0|1,1,0]=4 32 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [2,0,0,0,0,0|1,1,0]=4 34 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.2 c1cnc(cc1CN)Br ACT11159 [2,0,0,0,0,0|1,1,0]=4 38 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.8 C=CCc1ccccc1 ACT11557 [2,0,0,0,0,0|0,0,2]=4 41 B9R1.8 CNCc1ccccc1 ACT05529 [2,0,0,0,0,0|0,0,0]=2 42 B9R1.8 CSSc1ccccc1 ACT06218 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 c1cc(cnc1)CCN ACT01355 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.8 c1ccc(cc1)CCBr ACT03430 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 c1ccc(cc1)CCCl ACT03431 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 c1ccc(cc1)CCS ACT06273 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 c1ccnc(c1)CCBr ACT10142 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 c1cnccc1CCN ACT01588 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 c1cnccc1CCO ACT09815 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.23 CNC(=O)c1cc(ccn1)Cl ACT10128 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N ACT09874 [1,1,0,0,0,0|0,0,1]=3 52 B11R1.16 c1ccc(cc1)C(CCCl)O ACT09179 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.28 c1ccc(cc1)CCCCBr ACT04260 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.28 c1ccc(cc1)CCCCO ACT04259 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.28 c1ccc(cc1)CNCCN ACT02818 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.28 c1ccc(cc1)COCCBr ACT08864 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.28 c1cnccc1CCCCCl ACT04426 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.40 c1ccc(cc1)C[C@@H](CO)N ACT02363 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.40 c1ccc(cc1)C[C@H](CO)N ACT03137 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N ACT05015 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.20 CCOC(=O)Cc1cccc(c1)Cl ACT08522 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.55 CCCCCc1cc(cc(c1)O)O ACT03919 [0,2,0,0,0,0|2,0,0]=4 63 B11R2.36 Cc1ccc2c(c1)CCN2 ACT10010 [1,0,0,1,0,0|1,0,0]=3 64 B11R2.36 c1cc(nc2c1CCC2)Cl ACT07572 [1,0,0,1,0,0|1,0,0]=3 65 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 ACT10091 [1,0,0,1,0,0|1,0,1]=4 66 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [1,0,0,1,0,0|0,1,0]=3 67 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [1,0,0,1,0,0|1,0,0]=3 68 B11R2.106 c1cc2cc[nH]c2c(c1)Cl ACT02498 [1,0,0,1,0,0|0,0,2]=4 69 B13R2.5179 c1cc2c(cc1F)CCNC2=O ACT09234 [0,1,0,1,0,0|0,1,1]=4 70 B13R2.4856 CC1Cc2cccc(c2C1=O)Cl ACT04546 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.5190 CC1Cc2cc(ccc2C1=O)Cl ACT04551 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.371 c1cc(c2c(c1F)CCNC2)F ACT07261 [0,1,0,1,0,0|0,1,0]=3 73 B9R1.12 CCCCc1ccsc1 ACT11573 [1,0,0,0,1,0|2,0,0]=4