0 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,0,0,0,0,0|0,0,2]=2 7 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,0,0,0,0,0|2,1,0]=3 9 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,0,0,0,0,0|1,1,1]=4 23 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [1,0,0,0,0,0|2,1,0]=4 35 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl PI-30910 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.14 O=C(OC)\C=C\C1=CC=C(F)C=C1 PI-33638 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,1,0,0,0,0|0,0,0]=1 59 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [0,1,0,0,0,0|0,0,1]=2 60 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.417 C1=CC=C(C=C1)COC(CO)CO PI-46925 [0,1,0,0,0,0|1,0,2]=4 62 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [0,0,0,1,0,0|2,1,0]=4 64 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [0,0,0,1,0,0|2,1,0]=4 65 B13R2.10 C1CN(N=C1N)C2=CC=CC=C2 PI-30482 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,1,0,0|0,0,0]=1 67 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [0,0,0,1,0,0|2,1,0]=4 69 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 PI-16640 [0,0,0,1,0,0|2,1,0]=4 70 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [0,0,0,1,0,0|1,0,0]=2 71 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,0,0,1,0,0|1,0,0]=2 72 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 PI-25977 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 PI-33334 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 PI-40825 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,0,0,1,0,0|2,0,0]=3 76 B11R1.25 C1=COC(=C1)CNC(=O)CCl PI-17331 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [0,0,0,0,1,0|1,1,0]=3 78 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,0,0,0,1,0|3,0,0]=4 79 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,1,0|2,0,0]=3 80 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,0,0,0,1,0|2,0,1]=4 81 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,0,0,1,0|0,0,2]=3 82 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,1,0|0,0,0]=1 83 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,0,0,0,1,0|2,1,0]=4 84 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,0,0,0,1,0|2,1,0]=4 85 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,0,0,0,1,0|3,0,0]=4 87 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,0,0,0,1,0|3,0,0]=4 89 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,0,0,0,1,0|2,0,1]=4 90 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,0,0,0,1,0|2,0,1]=4 91 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [0,0,0,0,0,1|1,0,2]=4 92 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 PI-49342 [0,0,0,0,0,1|0,0,2]=3 93 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [0,0,0,0,0,1|1,0,1]=3 94 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,0,0,0,0,1|2,0,0]=3 95 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,0,0,0,0,1|2,0,0]=3 96 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,0,0,0,0,1|2,0,0]=3 97 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,0,0,0,0,1|1,0,0]=2 98 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|1,0,1]=4 106 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|0,1,1]=4 110 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.17 ClCSCc1ccccc1 PI-19537 [2,0,0,0,0,0|1,1,0]=4 112 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [2,0,0,0,0,0|1,0,1]=4 114 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [1,1,0,0,0,0|0,0,1]=3 118 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [1,1,0,0,0,0|0,0,1]=3 119 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [1,1,0,0,0,0|0,0,2]=4 121 B12R1.8 OCCCNCc1ccccc1 PI-28560 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [1,1,0,0,0,0|0,0,2]=4 123 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,1,0,0,0,0|0,0,1]=3 125 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.51 CCOC(=O)CCC1=CC=CO1 PI-19017 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,1,0,0,1,0|1,0,1]=4 164 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,1,0,0,1,0|0,1,0]=3 175 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,1,0,0,1,0|1,0,0]=3 176 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,1,0,0,1,0|0,0,2]=4 182 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl PI-23121 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.50 CCC(=O)NC1=CC=CC(=C1)N PI-30343 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,1,0,0,1,0|1,0,0]=3 188 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,1,0,0,1,0|1,0,0]=3 189 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,1,0|1,0,0]=3 199 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,1,0|1,0,0]=3 200 B14R1.13 COC(=O)CCCc1ccc(cc1)N PI-18321 [0,1,0,0,0,1|2,0,0]=4 201 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 PI-29398 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 PI-44371 [0,1,0,0,0,1|2,0,0]=4 203 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [0,1,0,0,0,1|1,0,0]=3 204 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [0,1,0,0,0,1|0,0,0]=2 205 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [0,1,0,0,0,1|2,0,0]=4 206 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-42313 [0,1,0,0,0,1|0,0,0]=2 207 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-43059 [0,1,0,0,0,1|0,0,0]=2 208 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [0,2,0,0,0,0|1,0,1]=4 209 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [0,2,0,0,0,0|1,0,0]=3 211 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30139 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-15757 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-37608 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N PI-37609 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [0,2,0,0,0,0|1,0,1]=4 216 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [0,2,0,0,0,0|2,0,0]=4 218 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [0,2,0,0,0,0|2,0,0]=4 219 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [0,2,0,0,0,0|1,0,1]=4 221 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [0,2,0,0,0,0|1,0,1]=4 222 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)Cl PI-50553 [0,2,0,0,0,0|2,0,0]=4 223 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [0,2,0,0,0,0|1,0,0]=3 224 B14R1.156 C1=CC=C(C=C1)COC(=O)NCC#N PI-17937 [0,2,0,0,0,0|0,0,1]=3 225 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN PI-47088 [0,2,0,0,0,0|0,0,0]=2 226 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCO PI-43203 [0,2,0,0,0,0|0,0,0]=2 227 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 PI-42736 [0,2,0,0,0,0|1,0,1]=4 228 B14R1.156 O=C(OCC1=CC=CC=C1)NCCBr PI-37289 [0,2,0,0,0,0|0,0,0]=2 229 B14R1.598 CCOC(=O)COc1ccccc1C PI-29982 [0,2,0,0,0,0|2,0,0]=4 230 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 PI-32071 [0,2,0,0,0,0|0,0,0]=2 231 B14R1.818 C\C(N)=C\C(OCC1=CC=CC=C1)=O PI-46645 [0,2,0,0,0,0|0,0,1]=3 232 B14R1.818 O=C(CC(O)=O)OCC1=CC=CC=C1 PI-18524 [0,2,0,0,0,0|0,0,1]=3 233 B12R2.2 C1CC(N=C1)C2=CN=CC=C2 PI-44326 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [1,0,0,1,0,0|1,0,1]=4 237 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [1,0,0,1,0,0|1,0,0]=3 238 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [1,0,0,1,0,0|0,0,0]=2 240 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [0,0,0,1,1,0|2,0,0]=4 243 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,0,0,1,1,0|0,0,0]=2 244 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,1,0|1,0,0]=3 245 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,0,0,1,1,0|1,0,0]=3 246 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 PI-29608 [0,0,0,1,1,0|2,0,0]=4 247 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,0,0,1,1,0|2,0,0]=4 248 B14R2.19 O=C1CCN(C1)Cc2ccccc2 PI-42677 [0,0,0,1,0,1|1,0,0]=3 249 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,0,0,1,0,1|2,0,0]=4 250 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,0,0,1,0,1|2,0,0]=4 251 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10531 [0,0,0,1,0,1|1,0,0]=3 252 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10532 [0,0,0,1,0,1|1,0,0]=3 253 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 PI-49427 [0,0,0,1,0,1|1,0,0]=3 254 B14R2.68 C1CN(CCC1=O)C2=CC=CC=C2 PI-43185 [0,0,0,1,0,1|1,0,0]=3 255 B14R2.95 COC(=O)C1C2=CC=CC=C2CN1 PI-48423 [0,0,0,1,0,1|2,0,0]=4 256 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,1,0,1,0,0|0,0,1]=3 257 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 PI-14300 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.20 C1CC(=O)OC1C2=CC=C(C=C2)F PI-11378 [0,1,0,1,0,0|0,0,0]=2 259 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,1,0|2,0,0]=4 261 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,1,0|1,0,0]=3 262 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,1,0|2,0,0]=4 263 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,1,0|2,0,0]=4 264 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,1,0|1,0,1]=4 265 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,1,0|1,0,0]=3 266 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,1,0|1,0,0]=3 267 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,1,0|1,0,0]=3 268 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,1,0|1,0,0]=3 269 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,0,0,0,1,0|1,1,0]=4 270 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,1,0|2,0,0]=4 271 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,1,0|2,0,0]=4 272 B10R1.27 COC(=O)CC1=CC=CS1 PI-50442 [0,0,0,0,2,0|2,0,0]=4 273 B10R1.27 COC(=O)CC1=CSC=C1 PI-30743 [0,0,0,0,2,0|2,0,0]=4 274 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,0,0,0,2,0|2,0,0]=4 275 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,0,0,0,2,0|2,0,0]=4 276 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,0,0,0,2,0|2,0,0]=4 277 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,0,0,2,0|1,0,1]=4 278 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,0,0,2,0|1,0,1]=4 279 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,2,0|2,0,0]=4 280 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,0,0,0,2,0|1,0,0]=3 281 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,0,0,2,0|1,0,1]=4 282 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,0,0,2,0|0,0,2]=4 283 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,2,0|2,0,0]=4 284 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,0,0,2,0|2,0,0]=4 285 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,0,0,2,0|0,0,2]=4 286 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,0,0,2,0|1,0,1]=4 287 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,0,0,2,0|0,0,2]=4 288 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,2,0|1,0,0]=3 289 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,2,0|2,0,0]=4 290 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,0,0,0,2,0|2,0,0]=4 291 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,0,0,0,2,0|2,0,0]=4 292 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,0,0,2,0|1,0,0]=3 293 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,0,0,2,0|1,0,0]=3 294 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 PI-43375 [0,0,0,0,0,2|2,0,0]=4