0 B10R1.17 C=CCOc1ccccc1 ACT11556 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 C=C\C=C\c1ccccc1 ACT09093 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.17 CCCCc1ccccn1 ACT09789 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 CCCCc1cccnc1 ACT09823 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 CNCCc1ccccn1 ACT05580 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 CNCCc1ccccn1 ACT05583 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 CNCCc1ccncc1 ACT01599 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 c1ccc(cc1)C#CC#N ACT11360 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.8 C=CCc1ccccc1 ACT11557 [1,0,0,0,0,0|0,0,2]=3 10 B9R1.8 CCOc1cnccn1 ACT06614 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CNCc1ccccc1 ACT05529 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 CSSc1ccccc1 ACT06218 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,0,0,0,0,0|0,1,0]=2 17 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 c1cnccc1CCN ACT01588 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 c1cnccc1CCO ACT09815 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.16 c1ccc(cc1)C(CCCl)O ACT09179 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.28 c1ccc(cc1)CCCCBr ACT04260 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.28 c1ccc(cc1)CCCCO ACT04259 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.28 c1ccc(cc1)CNCCN ACT02818 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.28 c1ccc(cc1)COCCBr ACT08864 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.28 c1cnccc1CCCCCl ACT04426 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 c1ccc(cc1)C[C@@H](CO)N ACT02363 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 c1ccc(cc1)C[C@H](CO)N ACT03137 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.91 c1ccc(cc1)COC(=O)Cl ACT05249 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.45 CCCC\C=C\C=C\C=O ACT06049 [0,0,1,0,0,0|2,0,0]=3 30 B11R2.1 CC1CCc2c1nccn2 ACT06624 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.20 c1ccc2c(c1)NCCN2 ACT02791 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.20 c1cnc2c(n1)CCCC2 ACT06621 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.12 CCCCc1ccsc1 ACT11573 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.12 CSSCc1ccco1 ACT06195 [0,0,0,0,1,0|2,1,0]=4 35 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|0,0,2]=4 36 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 COc1cnccn1 ACT06613 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|0,1,0]=3 40 B8R1.2 c1cnccc1CO ACT05965 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.71 CCCCC\C=C\C=C\C=O ACT06064 [0,1,1,0,0,0|1,0,1]=4 42 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.4 C=CCc1ccccc1O ACT04626 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.4 CCNc1ccccc1C ACT11407 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.10 CNCc1cccc(c1)Br ACT09067 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.15 C#CC(c1ccccc1)O ACT09707 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.15 COC(=O)c1ccccn1 ACT11786 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.15 COC(=O)c1cccnc1 ACT11790 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.15 COC(=O)c1ccncc1 ACT11792 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.16 COCCn1ccc(n1)N ACT10544 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.29 CCCCc1ccsc1Br ACT11595 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.16 c1cc(ccc1[C@@H](CCO)N)F ACT09312 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.21 c1cc(ccc1CCC(=O)O)O ACT03275 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.49 COC(=O)Cc1ccc(cc1)F ACT09576 [0,2,0,0,0,0|0,0,1]=3 69 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O ACT04173 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.17 c1cc(cc(c1)Br)[C@@H](CCO)N ACT07734 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N ACT05008 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.17 c1cc(cc(c1)Cl)[C@H](CCO)N ACT07802 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.34 COC(=O)C(c1ccccc1)N ACT07168 [0,2,0,0,0,0|0,0,1]=3 74 B12R1.34 COC(=O)[C@@H](c1ccccc1)N ACT07454 [0,2,0,0,0,0|0,0,1]=3 75 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N ACT09698 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.8 c1ccc(cc1)COCCCBr ACT03832 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.27 COC(=O)C=Cc1ccccc1 ACT05429 [0,2,0,0,0,0|0,0,2]=4 78 B12R1.27 c1ccc(cc1)COC(=O)CN ACT03310 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.27 c1ccc(cc1)COC(=O)CN ACT07362 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.32 CCOC(=O)Cc1cccnc1 ACT03451 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.32 CN(CCN)Cc1ccccc1 ACT08553 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.252 c1ccc(cc1)OCCC(=O)O ACT10118 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.43 c1ccc(cc1)CC(C(=O)O)N ACT07262 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N ACT08578 [0,2,0,0,0,0|2,0,0]=4 85 B10R2.7 B1Oc2ccccc2O1 ACT09441 [1,0,0,1,0,0|2,0,0]=4 86 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [1,0,0,1,0,0|1,0,0]=3 87 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 ACT02582 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.132 c1cc2c(cc1F)C(=O)CC2 ACT08311 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 ACT10418 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.2 c1cnccc1N2CCCC2 ACT04255 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.1081 CC1c2ccccc2CCN1 ACT04902 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.1081 c1cc2c(nc1)C(CCC2)O ACT08873 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.196 c1cc2c(c(c1)Br)CCC2=O ACT02584 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.196 c1cc2c(c(c1)F)CCC2=O ACT10896 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.196 c1cc2c(c(c1)O)CCC2=O ACT10816 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 ACT08016 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.18 c1ccc2c(c1)CC(C2=O)Br ACT04557 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.8 CSCc1ccco1 ACT06193 [1,0,0,0,1,0|1,1,0]=4 103 B8R1.8 c1cn(cn1)CCO ACT05699 [1,0,0,0,1,0|2,0,0]=4