0 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 PI-19151 [0,0,0,0,0,0|2,1,0]=3 2 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,0,0,0,0,0|0,0,0]=1 3 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 PI-40005 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.433 O=C(Nc1ccccn1)OC(C)(C)C PI-36523 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.698 CC(C)CC(OC1=CC=C(C)C=C1)=O PI-18677 [0,1,0,0,0,0|1,0,0]=2 13 B14R1.698 CC(C)NC(C)CC1=CC=C(C=C1)Br PI-14460 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.698 CC(C)NC(C)CC1=CC=C(C=C1)I PI-19068 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [0,1,0,0,0,0|1,0,1]=3 16 B14R1.5978 CC(C)OC(=O)NC1=CC(=CC=C1)Cl PI-31756 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-16561 [0,0,0,1,0,0|3,0,0]=4 18 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-16583 [0,0,0,1,0,0|3,0,0]=4 19 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-28228 [0,0,0,1,0,0|3,0,0]=4 20 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-31049 [0,0,0,1,0,0|3,0,0]=4 21 B14R2.19 C1CN(CC1N)CC2=CC=CC=C2 PI-31108 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.19 C1CN(CC1O)CC2=CC=CC=C2 PI-31010 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.19 C1CN(CC1O)CC2=CC=CC=C2 PI-42732 [0,0,0,1,0,0|3,0,0]=4 24 B14R2.19 O[C@H]1CCN(C1)Cc2ccccc2 PI-31008 [0,0,0,1,0,0|3,0,0]=4 25 B14R2.598 CC1=NN(C(=O)C1)c2ccccc2 PI-13189 [0,0,0,1,0,0|2,0,1]=4 26 B14R2.598 O=C1CC(C(=O)O1)c2ccccc2 PI-30072 [0,0,0,1,0,0|2,0,1]=4 27 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,0,0,0,1,0|1,0,2]=4 28 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,0,0,0,1,0|3,0,0]=4 29 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PI-13338 [0,0,0,0,1,0|3,0,0]=4 30 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,0,0,0,1,0|2,0,1]=4 31 B12R1.43 O=C(SC1=CC=CN=C1)N(C)C PI-46612 [0,0,0,0,1,0|3,0,0]=4 32 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,0,0,0,1,0|3,0,0]=4 33 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,0,0,0,1,0|1,0,0]=2 34 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,0,0,0,1,0|1,0,2]=4 35 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,0,0,0,1,0|1,0,0]=2 36 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,0,0,0,1,0|1,0,0]=2 37 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 PI-19023 [0,0,0,0,0,1|0,0,0]=1 38 B14R1.423 CC(O)CNC(=S)Nc1ccccc1 PI-20858 [0,0,0,0,0,1|2,1,0]=4 39 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 PI-32071 [0,0,0,0,0,1|1,0,1]=3 40 B14R1.818 C\C(N)=C\C(OCC1=CC=CC=C1)=O PI-46645 [0,0,0,0,0,1|1,0,2]=4 41 B14R1.818 O=C(CC(O)=O)OCC1=CC=CC=C1 PI-18524 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [2,0,0,0,0,0|0,0,1]=3 46 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 NCCOCc1ccccc1 PI-36880 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.28 OCCOCc1ccccc1 PI-24526 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.28 OCCSCc1ccccc1 PI-20759 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Br PI-26128 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl PI-50328 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F PI-50266 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PI-29684 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 PI-11993 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.19 CCOC(=O)Cc1ccc(cc1)C PI-38408 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.19 ClCCC(=O)Nc1ccc(Br)cc1 PI-22254 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)O PI-50435 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.20 CCOC(=O)Cc1cccc(N)n1 PI-36058 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.20 COCC(=O)NC1=CC(=CC=C1)Br PI-48972 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [1,1,0,0,0,0|0,0,2]=4 65 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br PI-26529 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-17842 [1,1,0,0,0,0|1,0,0]=3 69 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-22047 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.470 CCOC(=O)CC1=CC=CC=C1Cl PI-50418 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.470 CCOC(=O)CC1=CC=CC=C1F PI-50404 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.470 CCOC(=O)CC1=CC=CC=C1N PI-30787 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.470 CCOC(=O)CC1=CC=CC=C1O PI-50578 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.470 CCOC(=O)Cc1ccccc1C PI-30581 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 PI-50390 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.45 CN(C)CCC(C1=CC=CC=C1)N PI-34629 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.45 CN(C)CCC(C1=CC=CC=C1)O PI-45554 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.3523 CC(O)(C)COCC1=CC=CC=C1 PI-46611 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 PI-39442 [1,1,0,0,0,0|1,1,0]=4 84 B13R1.148 CN(C)C(=O)OC1=CC=CC(=C1)N PI-44105 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=N1 PI-13333 [0,1,0,0,1,0|1,0,0]=3 86 B13R1.353 O=C(Nc1ccccc1)C(C)(C)C PI-36336 [0,1,0,0,1,0|1,0,0]=3 87 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,1,0,0,1,0|1,0,1]=4 88 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,1,0,0,1,0|1,0,1]=4 89 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O PI-13839 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.132 O=C(OC(C)C)C1=CC=C(N)C=C1 PI-19238 [0,1,0,0,1,0|1,0,0]=3 91 B13R1.147 CC(C)OC(=O)C1=CC(=CC=C1)N PI-50595 [0,1,0,0,1,0|1,0,0]=3 92 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1O PI-19714 [0,1,0,0,1,0|1,0,0]=3 93 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1N PI-19239 [0,1,0,0,1,0|1,0,0]=3 94 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 PI-22878 [0,1,0,0,1,0|1,0,0]=3 95 B15R1.3675 CC(C(=O)CC(=O)Nc1ccccc1)C PI-37702 [0,1,0,0,0,1|1,0,0]=3 96 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 PI-43827 [0,1,0,0,0,1|1,0,0]=3 97 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O PI-27955 [0,1,0,0,0,1|1,0,0]=3 98 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CC=C1Br PI-44983 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.5802 O=C(OC(C)(C)C)Nc1ccccc1N PI-38445 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(C=C1)Br PI-15631 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(C=C1)O PI-22485 [0,2,0,0,0,0|2,0,0]=4 102 B15R1.913 Clc1ccc(cc1)NC(=O)OC(C)(C)C PI-22905 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.913 Nc1ccc(cc1)CC(=O)OC(C)(C)C PI-22874 [0,2,0,0,0,0|1,0,0]=3 104 B15R1.913 O=C(Nc1ccc(cc1)I)OC(C)(C)C PI-22949 [0,2,0,0,0,0|2,0,0]=4 105 B15R1.913 O=C(Nc1ccc(cc1)N)OC(C)(C)C PI-30871 [0,2,0,0,0,0|2,0,0]=4 106 B15R1.8303 Brc1cccc(c1)NC(=O)OC(C)(C)C PI-22891 [0,2,0,0,0,0|2,0,0]=4 107 B15R1.8303 O=C(OC(C)(C)C)Nc1cccc(c1)N PI-36934 [0,2,0,0,0,0|2,0,0]=4 108 B13R2.15 C1CC(=O)N(C1)C2=CC=CC=C2 PI-13565 [1,0,0,1,0,0|1,0,0]=3 109 B13R2.26 CCCC1=NC2=CC=CC=C2N1 PI-45292 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [1,0,0,1,0,0|1,0,0]=3 111 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 PI-10361 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.2382 O(Cc1ccccc1)CC2OC2 PI-35223 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.2382 c1ccc(COC[C@H]2OC2)cc1 PI-16665 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.359 CC1=Nc2c(C1(C)C)cccc2 PI-11087 [0,0,0,1,1,0|2,0,0]=4 115 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 PI-19739 [0,0,0,1,1,0|2,0,0]=4 116 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42030 [0,0,0,1,0,1|1,0,0]=3 117 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42031 [0,0,0,1,0,1|1,0,0]=3 118 B15R2.13973 CC1(C2=C(C=CC(=C2)Br)NC(=O)O1)C PI-12747 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,0,0,0,1,0|0,0,2]=4 120 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,0,0,0,1,0|0,0,2]=4 121 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [1,0,0,0,1,0|2,0,0]=4 123 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [1,0,0,0,1,0|2,0,0]=4 124 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [1,0,0,0,1,0|2,0,0]=4 125 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,0,0,0,1,0|2,0,0]=4 126 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,0,0,0,1,0|1,0,0]=3 127 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [1,0,0,0,1,0|1,0,0]=3 128 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [1,0,0,0,1,0|1,0,1]=4 129 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.30 CCOC(=O)CC1=CC=CS1 PI-19733 [1,0,0,0,1,0|2,0,0]=4 131 B11R1.30 CCOC(=O)CC1=CSC=C1 PI-19515 [1,0,0,0,1,0|2,0,0]=4 132 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [1,0,0,0,1,0|1,0,0]=3 133 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,1,0|1,0,0]=3 134 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,0,0,0,1,0|2,0,0]=4 135 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,1,0|1,0,0]=3 136 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,1,0|1,0,0]=3 137 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,0,0,0,2,0|2,0,0]=4 138 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,0,0,0,2,0|1,0,0]=3 139 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,0,0,2,0|1,0,1]=4 140 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,0,0,0,0,1|0,0,0]=2 141 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [1,0,0,0,0,1|1,0,1]=4 142 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,0,0,0,0,1|1,0,0]=3 143 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [1,0,0,0,0,1|1,0,0]=3 144 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [1,0,0,0,0,1|1,0,0]=3 145 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [1,0,0,0,0,1|1,0,0]=3 146 B15R1.5919 CC(C)NCC(COC1=CC=CC=C1)O PI-43978 [0,0,0,0,0,2|0,0,2]=4