0 B13R1.3 CC(COC1=CC=C(C=C1)OC)O PI-29595 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.3 CN(C)CCC1=CC=C(C=C1)OC PI-49122 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.3 COC1=CC=C(C=C1)OCC(=O)N PI-29464 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O PI-32588 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N PI-29506 [0,0,0,0,0,0|3,1,0]=4 6 B13R1.3 COC1=CC=C(C=C1)\C=C\[N+](=O)[O-] PI-46513 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [1,0,0,0,0,0|1,0,2]=4 19 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.71 COC1=CC=C(C=C1)CN=C=O PI-11440 [1,0,0,0,0,0|1,0,1]=3 26 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [1,0,0,0,0,0|1,0,2]=4 28 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C PI-38960 [0,1,0,0,0,0|1,0,1]=3 29 B14R1.3 CN(C)C(=O)CC1=CC=C(C=C1)OC PI-10961 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N PI-28493 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)N PI-16317 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-16294 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-28013 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)OC PI-12925 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN PI-50408 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.419 B(C1=CC=C(C=C1)CNC(=O)C)(O)O PI-19942 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] PI-26804 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O PI-50206 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.419 ClC(=O)OCc1ccc(cc1)[N+](=O)[O-] PI-15286 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O PI-25650 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 PI-20386 [0,0,0,1,0,0|2,0,1]=4 42 B14R2.134 COC1=CC2=C(CCC(C2)N)C=C1 PI-32098 [0,0,0,1,0,0|2,0,1]=4 43 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 PI-16516 [0,0,0,1,0,0|1,0,0]=2 44 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr PI-30129 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N PI-10998 [0,0,0,0,1,0|3,0,0]=4 46 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,0,0,0,1,0|3,0,0]=4 48 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,0,0,0,1,0|1,1,0]=3 49 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,0,0,0,1,0|1,0,1]=3 50 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,0,0,0,1,0|1,0,1]=3 52 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,0,0,0,1,0|1,0,0]=2 53 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,0,0,0,1,0|1,0,0]=2 54 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,0,0,0,1,0|1,0,0]=2 55 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,0,0,0,1,0|0,0,0]=1 56 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,0,0,0,1,0|1,0,0]=2 57 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O PI-30187 [0,0,0,0,1,0|1,1,0]=3 58 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,0,0,0,1,0|3,0,0]=4 60 B12R1.59 O=Cc1ccc(o1)COC(=O)C PI-26048 [0,0,0,0,1,0|3,0,0]=4 61 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O PI-31197 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [2,0,0,0,0,0|1,0,1]=4 65 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [2,0,0,0,0,0|1,0,1]=4 72 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [2,0,0,0,0,0|0,0,2]=4 73 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [2,0,0,0,0,0|1,0,1]=4 75 B11R1.83 COCc1ccc(cc1)OC PI-35666 [2,0,0,0,0,0|0,0,0]=2 76 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [2,0,0,0,0,0|1,0,1]=4 78 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.5 COC1=CC=C(C=C1)CC(=O)OC PI-50355 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.371 CCCCCC1=CC=C(C=C1)OC PI-16249 [1,1,0,0,0,0|1,0,1]=4 92 B13R1.371 COC1=CC=C(C=C1)CCCCO PI-33440 [1,1,0,0,0,0|1,0,1]=4 93 B13R1.371 COC1=CC=C(C=C1)COCSC PI-35859 [1,1,0,0,0,0|0,0,1]=3 94 B13R1.452 CCOC(=O)c1ccc(OC)cc1 PI-31767 [1,1,0,0,0,0|0,0,2]=4 95 B13R1.4 COC1=CC=C(C=C1)CS(=O)(=O)Cl PI-43973 [0,1,0,0,1,0|2,0,0]=4 96 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)OC PI-30633 [0,1,0,0,1,0|1,0,0]=3 97 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Br PI-21560 [0,1,0,0,1,0|1,0,0]=3 98 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F PI-23721 [0,1,0,0,1,0|1,0,0]=3 99 B13R1.35 COc1ccc(CC(=O)O)cc1O PI-20795 [0,1,0,0,1,0|1,0,0]=3 100 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-36242 [0,1,0,0,1,0|1,0,0]=3 101 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-39650 [0,1,0,0,1,0|1,0,0]=3 102 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O PI-30647 [0,1,0,0,1,0|1,0,0]=3 103 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C PI-49053 [0,1,0,0,1,0|1,0,0]=3 104 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N PI-50301 [0,1,0,0,1,0|2,0,0]=4 105 B13R1.585 CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PI-30687 [0,1,0,0,1,0|2,0,0]=4 106 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C PI-26513 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O PI-32421 [0,1,0,0,1,0|2,0,0]=4 108 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] PI-10933 [0,1,0,0,1,0|2,0,0]=4 109 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O PI-30628 [0,1,0,0,1,0|2,0,0]=4 110 B13R1.585 CC(C)C1=CC=C(C=C1)OC(=O)C PI-22726 [0,1,0,0,1,0|1,0,0]=3 111 B13R1.585 OC(=O)Cc1ccc(cc1)N(C)C PI-30208 [0,1,0,0,1,0|2,0,0]=4 112 B13R1.653 COc1ccc(CC(=O)O)c(Br)c1 PI-30839 [0,1,0,0,1,0|1,0,0]=3 113 B15R1.5 COC1=CC=C(C=C1)C(=O)CCC(=O)O PI-29471 [0,1,0,0,0,1|2,0,0]=4 114 B15R1.204 CC(=O)CC(=O)NC1=CC=C(C=C1)OC PI-15825 [0,1,0,0,0,1|1,0,1]=4 115 B15R1.208 CNC(CC1=CC=C(C=C1)OC)C(=O)O PI-43805 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.956 C1=CC(=CC=C1COC(=O)CBr)[N+](=O)[O-] PI-26197 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.499 CC(=O)CCc1ccc(cc1)OC(=O)C PI-25005 [0,2,0,0,0,0|1,0,0]=3 118 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC PI-11504 [0,2,0,0,0,0|2,0,0]=4 119 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O PI-10242 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.669 COc1ccc2c(c1)C(=O)CC2 PI-10551 [1,0,0,1,0,0|1,0,0]=3 121 B13R2.2121 CC1=CC2=C(N1)C=CC(=C2)OC PI-29051 [0,0,0,1,1,0|2,0,0]=4 122 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 PI-45352 [0,0,0,1,1,0|2,0,0]=4 123 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 PI-32103 [0,0,0,1,1,0|0,0,0]=2 124 B13R2.2121 COc1ccc2CC(=O)Nc2c1 PI-33951 [0,0,0,1,1,0|1,0,0]=3 125 B15R2.7688 C1OC2=C(O1)C=C(C=C2)CCC(=O)O PI-30422 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,0,0,0,1,0|2,0,0]=4 127 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,0,0,0,1,0|1,0,0]=3 128 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,0,0,0,1,0|2,0,0]=4 129 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,0,0,0,1,0|2,0,0]=4 131 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,0,0,0,1,0|1,0,0]=3 132 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,0,0,0,1,0|1,0,0]=3 134 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,0,0,0,1,0|1,0,1]=4 135 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,0,0,0,1,0|2,0,0]=4 137 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,0,0,0,1,0|1,1,0]=4 138 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,0,0,0,1,0|1,0,0]=3 139 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,0,0,0,1,0|0,0,0]=2 140 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,0,0,0,1,0|1,0,0]=3 141 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,0,0,0,1,0|1,1,0]=4 142 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,0,0,0,1,0|1,0,0]=3 143 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,0,0,0,1,0|1,0,0]=3 144 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [1,0,0,0,1,0|2,0,0]=4 146 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,0,0,0,1,0|2,0,0]=4 147 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,0,0,0,1,0|1,0,0]=3 148 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [1,0,0,0,1,0|1,1,0]=4 149 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,0,0,0,1,0|2,0,0]=4 150 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,0,0,0,1,0|2,0,0]=4 151 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,0,0,0,1,0|1,0,0]=3 152 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,0,0,0,1,0|1,1,0]=4 153 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,0,0,0,2,0|2,0,0]=4 154 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,0,0,0,2,0|2,0,0]=4 155 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,0,0,0,2,0|1,0,1]=4 156 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,0,0,0,2,0|0,1,0]=3 157 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,0,0,0,2,0|0,0,2]=4 158 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,0,0,0,2,0|1,0,0]=3 159 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,0,0,0,2,0|2,0,0]=4 160 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,0,0,0,2,0|2,0,0]=4 161 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,0,0,0,2,0|1,0,0]=3 162 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,0,0,0,2,0|2,0,0]=4 163 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,0,0,0,2,0|1,0,0]=3 164 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,0,0,0,2,0|1,0,0]=3 165 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,0,0,0,2,0|1,0,1]=4 166 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,0,0,0,2,0|2,0,0]=4 167 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,0,0,0,2,0|2,0,0]=4 168 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,0,0,0,2,0|0,0,2]=4 169 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,0,0,0,2,0|2,0,0]=4 170 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O PI-26662 [1,0,0,0,0,1|2,0,0]=4