0 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 c1cnccc1CCN A0195 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 c1cnccc1CCN P0148 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.20 CC(=O)NC1=NC=C(C=C1)N 6514 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [0,1,0,0,0,0|0,0,1]=2 30 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 6771 [0,1,0,0,0,0|3,0,0]=4 34 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [0,0,0,1,0,0|1,0,0]=2 36 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [0,0,0,1,0,0|1,1,0]=3 37 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [0,0,0,1,0,0|1,0,0]=2 38 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [0,0,0,1,0,0|1,0,0]=2 39 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [0,0,0,1,0,0|1,0,0]=2 40 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [0,0,0,0,1,0|2,0,1]=4 42 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,0,0,0,1,0|0,0,0]=1 43 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,0,0,0,1,0|1,1,0]=3 44 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,0,0,0,1,0|1,0,0]=2 45 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,0,0,0,1,0|1,0,0]=2 46 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,0,0,0,1,0|2,1,0]=4 47 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,0,0,0,1,0|2,1,0]=4 49 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,0,0,0,1,0|1,0,0]=2 54 B9R1.6 c1cncnc1C(=O)O P8990 [0,0,0,0,1,0|2,0,0]=3 55 B9R1.13 C1=CN(C=N1)CC(=O)O 9954 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.13 C1=CSC=C1CC(=O)O 6801 [0,0,0,0,1,0|1,0,0]=2 57 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [0,0,0,0,0,1|1,0,0]=2 58 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [0,0,0,0,0,1|2,0,1]=4 60 B11R1.91 c1ccnc(c1)CCC(=O)O P1251 [0,0,0,0,0,1|1,0,0]=2 61 B11R1.91 c1cnccc1CCC(=O)O P1258 [0,0,0,0,0,1|1,0,0]=2 62 B8R1.2 C1=CC(=CN=C1)CCl 5990 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 C1=CC(=CN=C1)CN 10146 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 C1=CC=NC(=C1)CCl 10463 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 C1=CC=NC(=C1)CN 5496 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 C1=CN=CC=C1CCl 8451 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|0,0,1]=3 80 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O 8145 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,1,0,0,0,0|0,0,1]=3 89 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,1,0,0,0,0|0,1,1]=4 93 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [0,1,0,0,1,0|1,0,1]=4 95 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,1,0,0,1,0|1,0,1]=4 96 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,1,0,0,1,0|1,0,1]=4 97 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [0,1,0,0,1,0|1,0,1]=4 98 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,1,0,0,1,0|1,0,0]=3 102 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,1,0,0,1,0|0,0,0]=2 103 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,1,0,0,1,0|0,0,0]=2 104 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,1,0,0,1,0|0,0,0]=2 105 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,1,0,0,1,0|1,1,0]=4 106 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,1,0,0,1,0|1,0,1]=4 108 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,1,0,0,1,0|1,0,1]=4 109 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,1,0,0,1,0|1,0,0]=3 113 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,1,0,0,1,0|1,0,0]=3 114 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,1,0,0,1,0|1,0,0]=3 116 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,1,0,0,1,0|1,0,0]=3 118 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,1,0,0,1,0|1,0,0]=3 119 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,1,0,0,1,0|1,0,1]=4 121 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,1,0,0,1,0|0,0,0]=2 122 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,1,0|1,0,1]=4 124 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,1,0|1,0,1]=4 125 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,1,0,0,1,0|1,0,1]=4 126 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.28 c1cc(cnc1)S(=O)(=O)O P0398 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [0,1,0,0,1,0|1,0,1]=4 129 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [0,1,0,0,1,0|1,0,1]=4 130 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [0,1,0,0,1,0|1,0,1]=4 131 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [0,1,0,0,1,0|1,0,1]=4 133 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,1,0,0,1,0|1,0,0]=3 136 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,1,0,0,1,0|1,0,0]=3 137 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,1,0,0,1,0|1,0,0]=3 138 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,1,0,0,1,0|0,0,0]=2 141 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,1,0,0,1,0|0,0,0]=2 142 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,1,0,0,1,0|0,0,0]=2 143 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,1,0,0,1,0|1,1,0]=4 144 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,1,0,0,1,0|1,0,0]=3 145 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,1,0,0,1,0|1,0,0]=3 146 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,1,0,0,1,0|1,0,0]=3 147 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,1,0,0,1,0|1,0,0]=3 149 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,1,0,0,1,0|1,0,0]=3 150 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,1,0,0,1,0|1,0,0]=3 151 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,1,0,0,1,0|1,0,0]=3 153 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,1,0,0,1,0|1,0,0]=3 154 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,1,0,0,1,0|1,0,0]=3 155 B10R1.61 CC(c1ccccc1N)O A1015 [0,1,0,0,1,0|1,0,1]=4 156 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,1,0,0,1,0|1,0,0]=3 157 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O 10119 [0,1,0,0,1,0|1,0,1]=4 158 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [0,1,0,0,1,0|1,0,1]=4 159 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [0,1,0,0,1,0|1,0,1]=4 160 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [0,1,0,0,1,0|2,0,0]=4 161 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,1,0,0,1,0|1,0,0]=3 162 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,1,0,0,1,0|1,0,0]=3 164 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,1,0,0,1,0|0,0,0]=2 166 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [0,1,0,0,1,0|1,0,1]=4 167 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,1,0,0,1,0|0,0,0]=2 168 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [0,1,0,0,1,0|1,0,0]=3 169 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [0,1,0,0,1,0|1,0,0]=3 170 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [0,1,0,0,1,0|1,0,0]=3 171 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,1,0,0,1,0|1,0,0]=3 172 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,1,0,0,1,0|1,0,0]=3 173 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,1,0,0,1,0|1,0,0]=3 176 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,1,0,0,1,0|1,0,0]=3 177 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,1,0,0,1,0|1,0,0]=3 178 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,1,0,0,1,0|1,0,0]=3 179 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,1,0,0,1,0|1,0,0]=3 180 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,1,0,0,1,0|1,0,0]=3 181 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,1,0,0,1,0|1,0,0]=3 182 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [0,1,0,0,1,0|2,0,0]=4 183 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,1,0,0,1,0|1,0,0]=3 184 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl 6857 [0,1,0,0,0,1|0,0,0]=2 185 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N 6107 [0,1,0,0,0,1|0,0,0]=2 186 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O 10629 [0,1,0,0,0,1|0,0,0]=2 187 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O 5493 [0,1,0,0,0,1|0,0,0]=2 188 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F 6309 [0,1,0,0,0,1|0,0,0]=2 189 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [0,1,0,0,0,1|0,0,1]=3 190 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [0,1,0,0,0,1|0,0,1]=3 191 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [0,1,0,0,0,1|0,0,1]=3 192 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N 9990 [0,1,0,0,0,1|1,1,0]=4 193 B12R1.21 c1cc(ccc1CCC(=O)O)Br B1115 [0,1,0,0,0,1|0,0,0]=2 194 B12R1.27 COC(=O)C=Cc1ccccn1 P1249 [0,1,0,0,0,1|1,0,1]=4 195 B12R1.27 COC(=O)COC1=CC=CC=C1 5583 [0,1,0,0,0,1|0,0,0]=2 196 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 9784 [0,1,0,0,0,1|0,0,1]=3 197 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 5722 [0,1,0,0,0,1|0,0,0]=2 198 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 6844 [0,1,0,0,0,1|0,0,0]=2 199 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 9748 [0,1,0,0,0,1|0,0,0]=2 200 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,1,0,0,0,1|0,0,0]=2 201 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [0,1,0,0,0,1|0,0,0]=2 202 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [0,1,0,0,0,1|0,0,1]=3 203 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br 8755 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl 5181 [0,1,0,0,0,1|0,0,0]=2 205 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F 5182 [0,1,0,0,0,1|0,0,0]=2 206 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [0,1,0,0,0,1|0,0,1]=3 207 B12R1.125 CC1=CC=CC=C1CCC(=O)O 8274 [0,1,0,0,0,1|0,0,0]=2 208 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [0,1,0,0,0,1|0,0,1]=3 209 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [0,1,0,0,0,1|0,0,0]=2 210 B12R1.226 C1=CC(=CC(=C1)F)\C=C\C(=O)O 6032 [0,1,0,0,0,1|0,0,1]=3 211 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O 10329 [0,1,0,0,0,1|0,0,0]=2 212 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl 8784 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO 9568 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O 5133 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.4 COC1=CC=C(C=C1)CC(=O)O 6794 [0,2,0,0,0,0|0,0,0]=2 216 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)F 8137 [0,2,0,0,0,0|0,0,0]=2 217 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl 6024 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br 10654 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Cl 9590 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F 5630 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F 9243 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl 10104 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br 5459 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F 5356 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.20 CC(C1=CC=C(C=C1)F)C(=O)[O-] 10098 [0,2,0,0,0,0|0,0,1]=3 226 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,2,0,0,0,0|0,0,0]=2 231 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)F 5666 [0,2,0,0,0,0|0,0,0]=2 233 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl 5581 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,2,0,0,0,0|0,0,0]=2 236 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F 10432 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.127 C1=CC(=C(C=C1Cl)CC(=O)O)F 9666 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br 10293 [0,2,0,0,0,0|0,0,0]=2 239 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Cl 10407 [0,2,0,0,0,0|0,0,0]=2 240 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)F 5420 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.224 C1=CC(=C(C(=C1)Cl)F)CC(=O)O 5116 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O 6065 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl 5419 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F 8986 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F 5629 [0,2,0,0,0,0|0,0,0]=2 246 B12R1.101 C1=C(C=C(C=C1F)F)CC(=O)O 5172 [0,2,0,0,0,0|0,0,0]=2 247 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,1,0,0|0,0,1]=3 248 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,1]=4 249 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [0,0,0,1,0,1|1,0,1]=4 251 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [0,1,0,1,0,0|1,0,1]=4 255 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [0,0,0,0,2,0|2,0,0]=4 257 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [0,0,0,0,2,0|2,0,0]=4 258 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [0,0,0,0,2,0|2,0,0]=4 259 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [0,0,0,0,2,0|2,0,0]=4 260 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [0,0,0,0,2,0|1,0,0]=3 261 B8R1.7 C1=CON=C1C(=O)O I8529 [0,0,0,0,2,0|2,0,0]=4 262 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [0,0,0,0,2,0|1,0,0]=3 263 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [0,0,0,0,2,0|1,0,1]=4 264 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [0,0,0,0,2,0|2,0,0]=4 265 B8R1.7 CC(=O)C1=CC=CS1 8482 [0,0,0,0,2,0|2,0,0]=4 266 B8R1.7 CC(=O)C1=CC=CS1 8660 [0,0,0,0,2,0|2,0,0]=4 267 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O 9395 [0,0,0,0,0,2|0,0,0]=2