0 B12R1.21 Cc1ccc(cc1)CCS(=O)C SR-1112 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.21 Cc1ccc(cc1)CNC(=N)N SR-1114 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.1 Cc1ccc(cc1)CN=C=O SR-1021 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.1 Cc1ccc(cc1)CN=C=O SR-1124 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 c1ccc(cc1)COC(=O)N RL-8595 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 c1ccc(cc1)NCC(=O)O XAA1020 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.3 c1cc(ccc1CO)OCC(=O)O RL-1032 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.14 Cc1ccc(cc1)COC(=O)C=C SR-1036 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.14 Cc1ccc(cc1)COC(=O)C=C SR-1118 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N HAA7040 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.133 Cc1ccc(cc1)C[C@H](C(=O)O)N HAA6410 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O HAA7450 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br HAA1117 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl HAA1118 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F HAA1119 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I HAA1585 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HAA7050 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HAA7060 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O HAA1142 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.133 c1cc(ccc1C[C@H](C(=O)N)N)O HAA7300 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br HAA1234 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl HAA1043 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F HAA1510 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I HAA6400 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O HAA1059 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.512 Cc1ccc(cc1)CCS(=O)(=O)Cl SR-1073 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.512 Cc1ccc(cc1)CCS(=O)(=O)Cl SR-1119 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.512 Cc1ccc(cc1)CCS(=O)(=O)O SR-1120 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.512 Cc1ccc(cc1)CCS(=O)(=O)O SR-1121 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.512 Cc1ccc(cc1)CCS(=O)(=O)O SR-1122 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.1 Cc1ccc(cc1)CCBr BR-5264 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.1 Cc1ccc(cc1)CCBr BR-5265 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.1 Cc1ccc(cc1)CCN BR-5266 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 Cc1ccc(cc1)CCN BR-5267 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.1 Cc1ccc(cc1)CCN BR-5268 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 Cc1ccc(cc1)CCN BR-5269 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.1 Cc1ccc(cc1)CCO BR-5113 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.1 Cc1ccc(cc1)CCO BR-5114 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.1 Cc1ccc(cc1)CCS BR-5270 [2,0,0,0,0,0|1,1,0]=4 39 B10R1.1 Cc1ccc(cc1)CCS BR-5271 [2,0,0,0,0,0|1,1,0]=4 40 B10R1.1 Cc1ccc(cc1)CSC SR-1110 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.1 c1cc(ccc1CCN)O HAL1085 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.1 Cc1ccc(cc1)CCCCN BR-5260 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.1 Cc1ccc(cc1)CCCCN BR-5261 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.1 Cc1ccc(cc1)CCCCN BR-5262 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.1 Cc1ccc(cc1)CCCCO BR-5111 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.1 Cc1ccc(cc1)CCCCO BR-5112 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O FAL1017 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.49 c1cc(ccc1C[C@H](CO)N)O FAL1027 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N HAA1230 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N HAA1005 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N HAA7080 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N HAA1121 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N HAA6430 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N HAA1045 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N HAA1229 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N HAA5200 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N HAA5540 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N HAA6640 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N HAA8770 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N HAA8760 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.107 c1ccc(cc1)C(CC(=O)O)N HAA2740 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.107 c1ccc(cc1)C(CC(=O)O)N HAA2745 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N HAA8710 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N HAA8740 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.4 c1cc(ccc1CC(=O)O)CBr RL-1008 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.4 c1cc(ccc1CC(=O)O)CO RL-1037 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl HAA7120 [0,1,0,0,1,0|2,0,0]=4 68 B14R1.4 c1cc(ccc1CO)OCCC(=O)O RL-1112 [0,1,0,0,0,1|1,0,0]=3 69 B14R1.13 Cc1ccc(cc1)CCOC(=O)C=C SR-1036 [0,1,0,0,0,1|1,0,1]=4 70 B14R1.679 Cc1ccc(cc1)CC[C@@H](C(=O)O)N HAA2330 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.679 Cc1ccc(cc1)CC[C@H](C(=O)O)N HAA2315 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O HAA6750 [0,1,0,0,0,1|1,0,0]=3 73 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)O HAA6270 [0,1,0,0,0,1|1,0,0]=3 74 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)O HAA8600 [0,1,0,0,0,1|1,0,0]=3 75 B14R1.3 CNc1ccc(cc1)C[C@@H](C(=O)O)N HAA2120 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N HAA5090 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.3 c1cc(ccc1C[C@H](C(=O)O)N)C#N HAA7570 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.419 CC(=O)OCc1ccc(cc1)C(=O)O RL-1115 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N HAA7480 [0,2,0,0,0,0|0,0,0]=2 80 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl HAA5160 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)F HAA7010 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O HAA1139 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)Cl)Cl HAA6380 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.7626 C[C@@](Cc1ccc(cc1)Br)(C(=O)O)N HAA5350 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.7626 C[C@@](Cc1ccc(cc1)F)(C(=O)O)N HAA1745 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.7626 C[C@@](Cc1ccc(cc1)I)(C(=O)O)N HAA5360 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.7626 C[C@@](Cc1ccc(cc1)O)(C(=O)O)N HAA5370 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.7626 C[C@](Cc1ccc(cc1)Br)(C(=O)O)N HAA5470 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.7626 C[C@](Cc1ccc(cc1)F)(C(=O)O)N HAA1740 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.7626 C[C@](Cc1ccc(cc1)I)(C(=O)O)N HAA5480 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.7626 C[C@](Cc1ccc(cc1)O)(C(=O)O)N HAA5490 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.13 Cc1ccc(cc1)C(=O)C SR-1004 [0,0,0,0,2,0|1,0,0]=3 93 B10R1.13 Cc1ccc(cc1)C(=O)C SR-1108 [0,0,0,0,2,0|1,0,0]=3 94 B10R1.13 Cc1ccc(cc1)C(=O)O BR-5213 [0,0,0,0,2,0|2,0,0]=4 95 B10R1.13 Cc1ccc(cc1)C(=O)O BR-5259 [0,0,0,0,2,0|2,0,0]=4 96 B10R1.13 Cc1ccc(cc1)C(=O)O BR-5263 [0,0,0,0,2,0|2,0,0]=4