0 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,0,0,0,0,0|0,0,2]=2 13 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,0,0,0,0,0|0,0,0]=0 16 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,0,0,0,0,0|0,0,2]=2 20 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,0,0,0,0,0|1,0,2]=3 29 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,0,0,0,0,0|0,0,1]=2 40 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [1,0,0,0,0,0|1,0,2]=4 50 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,0,0|0,0,2]=3 62 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,0,0|0,0,2]=3 63 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [1,0,0,0,0,0|2,1,0]=4 65 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,0,0|2,0,0]=3 69 B13R1.3 CC(COC1=CC=C(C=C1)OC)O PI-29595 [0,1,0,0,0,0|1,0,2]=4 70 B13R1.3 CN(C)CCC1=CC=C(C=C1)OC PI-49122 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.3 COC1=CC=C(C=C1)OCC(=O)N PI-29464 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O PI-32588 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N PI-29506 [0,1,0,0,0,0|2,1,0]=4 75 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 PI-41138 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.3 OCc1ccc(OCC(=O)O)cc1 PI-33775 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)Cl PI-50269 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)F PI-50277 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl PI-30910 [0,1,0,0,0,0|1,0,2]=4 80 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [0,1,0,0,0,0|0,0,2]=3 81 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.14 O=C(OC)\C=C\C1=CC=C(F)C=C1 PI-33638 [0,1,0,0,0,0|1,0,2]=4 84 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.164 C1=CC(=C(C=C1Br)Br)OCC(=O)O PI-20985 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O PI-21079 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.511 C1=CC(=C(C=C1OCC(=O)O)Cl)Cl PI-50534 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C PI-21974 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [0,1,0,0,0,0|1,0,2]=4 123 B13R2.155 Brc1cc2NC(=O)COc2cc1 PI-38345 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [0,0,0,1,0,0|1,0,2]=4 125 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl PI-23153 [0,0,0,1,0,0|3,0,0]=4 126 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O PI-10242 [0,0,0,1,0,0|1,0,0]=2 127 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,0,0,0,1,0|1,0,0]=2 129 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,0,0,0,1,0|1,0,0]=2 133 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,0,0,0,1,0|1,0,0]=2 136 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,0,0,0,1,0|1,0,1]=3 137 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,0,0,0,1,0|2,0,0]=3 138 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,0,0,0,1,0|1,1,0]=3 140 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,0,0,0,1,0|2,0,0]=3 142 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,0,0,0,1,0|1,0,0]=2 143 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,0,0,0,1,0|2,0,0]=3 144 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,0,0,0,1,0|2,0,0]=3 145 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,0,0,0,1,0|2,0,1]=4 146 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,0,0,0,1,0|2,0,0]=3 147 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,0,0,0,1,0|3,0,0]=4 149 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,0,0,0,1,0|2,0,0]=3 151 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,0,0,0,1,0|2,0,0]=3 152 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,0,0,0,1,0|2,1,0]=4 153 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,0,0,0,1,0|2,0,0]=3 154 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,0,0,0,1,0|2,0,0]=3 155 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,0,0,0,1,0|1,0,0]=2 156 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,0,0,0,1,0|1,1,0]=3 157 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)F PI-26771 [0,0,0,0,0,1|2,0,0]=3 158 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N PI-26159 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F PI-17000 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O PI-26662 [0,0,0,0,0,1|2,0,0]=3 161 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Br PI-47271 [0,0,0,0,0,1|3,0,0]=4 162 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 PI-46620 [0,0,0,0,0,1|2,0,0]=3 163 B13R1.513 OC(=O)CCCc1ccc(cc1)I PI-26518 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [2,0,0,0,0,0|0,0,1]=3 175 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [2,0,0,0,0,0|1,0,0]=3 177 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [2,0,0,0,0,0|0,0,0]=2 178 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.1 CCOc1ccc(cc1)O PI-27806 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.1 NCCc1ccc(cc1)N PI-10153 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.17 C=CCOc1ccccc1 PI-36466 [2,0,0,0,0,0|1,0,1]=4 192 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|1,0,1]=4 194 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.17 CNCCc1ccncc1 PI-12002 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [2,0,0,0,0,0|0,0,2]=4 204 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [1,1,0,0,0,0|0,0,1]=3 206 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [1,1,0,0,0,0|0,0,1]=3 209 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [1,1,0,0,0,0|0,0,2]=4 210 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.71 CCCCC1=CC=C(C=C1)C#C PI-30936 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.71 CCCCC1=CC=C(C=C1)C#N PI-22884 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.71 CCCCC1=CC=C(C=C1)C=O PI-27108 [1,1,0,0,0,0|0,0,2]=4 218 B12R1.71 CCCCC1=CC=C(C=C1)CN PI-30734 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.71 CCCCC1=CC=C(C=C1)NN PI-22988 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.71 COC1=CC=C(C=C1)CN=C=O PI-11440 [1,1,0,0,0,0|1,0,1]=4 222 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [1,1,0,0,0,0|0,0,0]=2 223 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [1,1,0,0,0,0|0,0,2]=4 224 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,1,0,0,0,0|0,0,0]=2 233 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [1,1,0,0,0,0|1,1,0]=4 234 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr PI-30129 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N PI-10998 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,1,0,0,1,0|1,1,0]=4 282 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,1,0,0,1,0|1,0,1]=4 284 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,1,0,0,1,0|1,0,1]=4 285 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,1,0,0,1,0|1,0,0]=3 287 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,1,0,0,1,0|0,0,0]=2 289 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,1,0,0,1,0|1,0,0]=3 290 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O PI-30187 [0,1,0,0,1,0|1,1,0]=4 291 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,1,0,0,1,0|1,0,0]=3 293 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [0,1,0,0,1,0|1,0,0]=3 297 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N PI-11326 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [0,1,0,0,1,0|1,0,0]=3 300 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [0,1,0,0,1,0|1,0,0]=3 301 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [0,1,0,0,1,0|2,0,0]=4 302 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N PI-36900 [0,1,0,0,1,0|2,0,0]=4 303 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [0,1,0,0,1,0|1,0,0]=3 304 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,1,0,0,1,0|2,0,0]=4 307 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,1,0,0,1,0|2,0,0]=4 310 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,1,0,0,1,0|1,0,0]=3 311 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,1,0,0,1,0|2,0,0]=4 314 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,1,0,0,1,0|2,0,0]=4 316 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,1,0,0,1,0|1,0,0]=3 317 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)C PI-23499 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,1,0,0,1,0|2,0,0]=4 321 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [0,1,0,0,1,0|2,0,0]=4 324 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,1,0,0,1,0|2,0,0]=4 328 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,1,0,0,1,0|2,0,0]=4 332 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O PI-31197 [0,1,0,0,0,1|1,0,0]=3 333 B14R1.13 COC(=O)CCCc1ccc(cc1)N PI-18321 [0,1,0,0,0,1|1,0,0]=3 334 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)F PI-28445 [0,1,0,0,0,1|2,0,0]=4 335 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O PI-14689 [0,1,0,0,0,1|2,0,0]=4 336 B14R1.679 O=C(O)[C@@H](N)CCC1=CC=C(O)C=C1 PI-37070 [0,1,0,0,0,1|1,0,0]=3 337 B14R1.698 C1=CC(=CC=C1CC(CC(=O)O)N)Br PI-43741 [0,1,0,0,0,1|2,0,0]=4 338 B14R1.698 CC1=CC=C(C=C1)CC(CC(=O)O)N PI-26220 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.698 OC(=O)C[C@@H](N)Cc1ccc(Cl)cc1 PI-26505 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C PI-38960 [0,2,0,0,0,0|0,0,1]=3 341 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N PI-43553 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N PI-43704 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N PI-28493 [0,2,0,0,0,0|1,0,0]=3 344 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-16294 [0,2,0,0,0,0|1,0,0]=3 345 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-28013 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)OC PI-12925 [0,2,0,0,0,0|0,0,2]=4 347 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN PI-50408 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.419 B(C1=CC=C(C=C1)CCC(=O)O)(O)O PI-25228 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.419 B(C1=CC=C(C=C1)CNC(=O)C)(O)O PI-19942 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.419 C1=CC(=CC=C1C(=O)O)OCC(=O)O PI-50667 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] PI-26804 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O PI-50206 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.419 OC(=O)CCc1ccc(cc1)[N+](=O)[O-] PI-15551 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)F PI-50497 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.10 COC(=O)CC(=O)c1ccc(Br)cc1 PI-22527 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.134 CC(C(=O)OC)OC1=CC=C(C=C1)O PI-21898 [0,2,0,0,0,0|1,0,0]=3 357 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30139 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-15757 [0,2,0,0,0,0|0,0,0]=2 359 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-37608 [0,2,0,0,0,0|0,0,0]=2 360 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N PI-37609 [0,2,0,0,0,0|0,0,0]=2 361 B14R1.134 NNC(=O)C(C)Oc1ccc(O)cc1 PI-20835 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.134 NNC(=O)[C@@H](N)Cc1ccc(O)cc1 PI-27899 [0,2,0,0,0,0|1,0,0]=3 363 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.529 NCC(=CF)CCc1ccc(cc1)F PI-33795 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.727 CC1=C(C=CC(=C1)Cl)OCC(=O)OC PI-50536 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.727 COC(=O)COC1=C(C=C(C=C1)Cl)Cl PI-50537 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O PI-38381 [0,2,0,0,0,0|0,0,2]=4 369 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl PI-15666 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O PI-26631 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.694 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C PI-24475 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.1019 NCC(CC(=O)O)c1ccc(Cl)cc1 PI-27086 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.1019 NC[C@@H](c1ccc(cc1)Cl)CC(=O)O PI-38889 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.686 C1=CC(=C(C=C1CC(=O)C(=O)O)O)O PI-34062 [0,2,0,0,0,0|1,0,1]=4 375 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25643 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25644 [0,2,0,0,0,0|2,0,0]=4 377 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O PI-25821 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F PI-21216 [0,2,0,0,0,0|2,0,0]=4 379 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O PI-27890 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)N)O PI-27366 [0,2,0,0,0,0|1,0,0]=3 381 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-12967 [0,2,0,0,0,0|1,0,0]=3 382 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-44569 [0,2,0,0,0,0|1,0,0]=3 383 B14R1.686 CC1=C(C=C(C=C1)CC(C(=O)O)N)C PI-33681 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.686 CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O PI-48177 [0,2,0,0,0,0|1,0,0]=3 385 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(O)=O PI-38725 [0,2,0,0,0,0|1,0,0]=3 386 B14R1.686 N[C@@H](CC1=CC(Br)=C(C=C1)O)C(O)=O PI-37231 [0,2,0,0,0,0|1,0,0]=3 387 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)I)O)N PI-18843 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N PI-43403 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N PI-43414 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.6049 C1=CC(=C(C=C1F)F)CC(C(=O)O)N PI-21213 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.7626 Oc1ccc(cc1)C[C@](C(=O)O)(N)C PI-14969 [0,2,0,0,0,0|1,0,0]=3 392 B14R1.42 CC(CCC1=CC=C(O)C(OC)=C1)=O PI-41587 [0,2,0,0,0,0|0,0,0]=2 393 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O PI-29066 [0,2,0,0,0,0|1,0,0]=3 394 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [1,0,0,1,0,0|2,0,0]=4 396 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [1,0,0,1,0,0|2,0,0]=4 397 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [1,0,0,1,0,0|0,0,1]=3 398 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [1,0,0,1,0,0|1,0,1]=4 399 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [1,0,0,1,0,0|1,0,0]=3 400 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [1,0,0,1,0,0|2,0,0]=4 401 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [1,0,0,1,0,0|2,0,0]=4 402 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [1,0,0,1,0,0|2,0,0]=4 403 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [1,0,0,1,0,0|1,0,0]=3 404 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [1,0,0,1,0,0|1,0,0]=3 405 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [1,0,0,1,0,0|1,0,1]=4 406 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [1,0,0,1,0,0|1,0,0]=3 407 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [1,0,0,1,0,0|1,0,0]=3 408 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [1,0,0,1,0,0|1,0,1]=4 409 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [1,0,0,1,0,0|0,0,0]=2 410 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [1,0,0,1,0,0|1,0,1]=4 411 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [1,0,0,1,0,0|1,0,0]=3 412 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,0,0,1,1,0|1,0,0]=3 413 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,0,0,1,1,0|1,0,0]=3 414 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,0,0,1,1,0|2,0,0]=4 415 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,0,0,1,1,0|2,0,0]=4 416 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,0,0,1,1,0|2,0,0]=4 417 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,0,0,1,1,0|2,0,0]=4 418 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,0,0,1,1,0|2,0,0]=4 419 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,0,0,1,1,0|2,0,0]=4 420 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,0,0,1,1,0|1,0,0]=3 421 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,0,0,1,1,0|2,0,0]=4 422 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,0,0,1,1,0|2,0,0]=4 423 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,0,0,1,1,0|2,0,0]=4 424 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,0,0,1,1,0|2,0,0]=4 425 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,0,0,1,1,0|2,0,0]=4 426 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,0,0,1,1,0|1,0,0]=3 427 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,0,0,1,1,0|1,0,0]=3 428 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [0,0,0,1,1,0|2,0,0]=4 429 B14R2.20 C1CC(=O)OC1C2=CC=C(C=C2)F PI-11378 [0,0,0,1,0,1|2,0,0]=4 430 B14R2.134 COC1=CC2=C(CCC(C2)N)C=C1 PI-32098 [0,1,0,1,0,0|1,0,1]=4 431 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 PI-16516 [0,1,0,1,0,0|0,0,0]=2 432 B14R2.29365 C1CC2=C(CC1=O)C=C(C=C2F)F PI-17668 [0,1,0,1,0,0|1,0,0]=3 433 B14R2.8239 C1CC2=CC(=C(C=C2CC1N)O)O PI-18864 [0,1,0,1,0,0|1,0,1]=4 434 B14R2.8239 CN1CCC2=CC(=C(C=C2C1)O)O PI-29817 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.16 O=CCCC1=CC=C(C)O1 PI-42086 [1,0,0,0,1,0|2,0,0]=4 436 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,1,0|2,0,0]=4 437 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,1,0|2,0,0]=4 438 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,1,0|2,0,0]=4 439 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,1,0|2,0,0]=4 441 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,1,0|1,0,1]=4 442 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,1,0|1,0,0]=3 443 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,1,0|1,0,0]=3 444 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,1,0|1,0,0]=3 445 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,1,0|1,0,0]=3 446 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,1,0|2,0,0]=4 447 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,1,0|2,0,0]=4 448 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [1,0,0,0,1,0|2,0,0]=4 449 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,0,0,0,2,0|2,0,0]=4 450 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,0,0,0,2,0|2,0,0]=4 452 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,0,0,0,2,0|1,0,0]=3 453 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,0,0,0,2,0|2,0,0]=4 454 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,0,0,0,2,0|1,1,0]=4 455 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,0,0,0,2,0|2,0,0]=4 456 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,0,0,0,2,0|2,0,0]=4 457 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,0,0,0,2,0|1,0,0]=3 458 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,0,0,0,2,0|1,0,0]=3 459 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,0,0,0,2,0|2,0,0]=4 460 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,0,0,0,2,0|2,0,0]=4 461 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,0,0,0,2,0|1,0,0]=3 462 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,0,0,0,2,0|0,0,0]=2 463 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,0,0,0,2,0|1,0,0]=3 464 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,0,0,0,2,0|2,0,0]=4 465 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,0,0,0,2,0|2,0,0]=4 466 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,0,0,0,2,0|0,0,2]=4 467 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,0,0,0,2,0|2,0,0]=4 468 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,0,0,0,2,0|2,0,0]=4 469 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,0,0,0,2,0|2,0,0]=4 470 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,0,0,0,2,0|2,0,0]=4 471 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,0,0,0,2,0|2,0,0]=4 472 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,0,0,0,2,0|1,1,0]=4 473 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,0,0,0,2,0|2,0,0]=4 474 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,0,0,0,2,0|2,0,0]=4 475 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,0,0,0,2,0|2,0,0]=4 476 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,0,0,0,2,0|2,0,0]=4 477 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [1,0,0,0,0,1|1,0,0]=3 478 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [1,0,0,0,0,1|1,0,0]=3 479 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [1,0,0,0,0,1|0,0,0]=2 480 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [1,0,0,0,0,1|0,0,0]=2 481 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,0,1|0,0,2]=4 482 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [1,0,0,0,0,1|1,0,0]=3 483 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [1,0,0,0,0,1|1,0,0]=3 484 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [1,0,0,0,0,1|1,0,0]=3 485 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [1,0,0,0,0,1|1,0,0]=3 486 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [1,0,0,0,0,1|1,0,0]=3 487 B14R1.677 CC1=CC=C(C=C1)OCCOC(=O)C PI-19836 [0,0,0,0,0,2|1,0,0]=3