0 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,0,0,0,0,0|3,0,0]=3 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|2,0,1]=3 4 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|1,1,1]=4 8 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 C1=CC(=CC=C1N)OC(F)F 5637 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [0,1,0,0,0,0|2,1,0]=4 15 B11R1.20 C1=CC(=CC=C1OC(F)F)Br 5636 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 C1=CC(=CC=C1OC(F)F)Cl 6686 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 C1=CC(=CC=C1OC(F)F)I 6213 [0,1,0,0,0,0|2,0,1]=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|2,0,0]=3 20 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.86 C1=CC=C(C(=C1)OC(F)F)Br 6212 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [0,1,0,0,0,0|2,1,0]=4 30 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 6771 [0,1,0,0,0,0|3,0,0]=4 37 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [0,0,0,1,0,0|2,0,0]=3 38 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [0,0,0,1,0,0|1,0,0]=2 39 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [0,0,0,1,0,0|1,1,0]=3 40 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [0,0,0,1,0,0|1,0,0]=2 41 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [0,0,0,1,0,0|1,0,0]=2 42 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [0,0,0,1,0,0|1,0,0]=2 43 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,0,0,0,1,0|1,0,0]=2 45 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,0,0,0,1,0|1,1,0]=3 46 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,0,0,0,1,0|2,1,0]=4 49 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,0,0,0,1,0|2,1,0]=4 51 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,0,0,0,1,0|1,0,2]=4 55 B9R1.6 CN(C)C1=CC=NC=C1 5603 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.6 CN(C)c1ccncc1 D0718 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.6 c1cncnc1C(=O)O P8990 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.13 C1=CSC=C1CC(=O)O 6801 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [0,0,0,0,0,1|1,0,0]=2 61 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [0,0,0,0,0,1|2,0,1]=4 63 B11R1.91 c1ccnc(c1)CCC(=O)O P1251 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.91 c1cnccc1CCC(=O)O P1258 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 c1cnccc1C=O P0128 [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 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O 8145 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,1,0,0,1,0|1,1,0]=4 80 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,1,0,0,1,0|0,0,0]=2 91 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,1,0,0,1,0|0,0,0]=2 92 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,1,0,0,1,0|0,0,2]=4 94 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,1,0,0,1,0|1,0,0]=3 95 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,1,0,0,1,0|1,0,0]=3 108 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,1,0,0,1,0|1,1,0]=4 112 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,1,0|1,0,0]=3 120 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,1,0,0,1,0|0,0,0]=2 121 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,1,0,0,1,0|0,0,0]=2 122 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,1,0,0,1,0|0,0,0]=2 123 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,1,0,0,1,0|1,0,1]=4 124 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,1,0,0,1,0|1,0,1]=4 125 B10R1.61 CC(c1ccccc1N)O A1015 [0,1,0,0,1,0|0,0,2]=4 126 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,1,0,0,1,0|1,0,0]=3 137 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [0,1,0,0,1,0|2,0,0]=4 139 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,1,0,0,1,0|0,0,0]=2 148 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,1,0,0,1,0|0,0,0]=2 149 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,1,0,0,1,0|0,0,0]=2 150 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,1,0,0,1,0|0,0,0]=2 151 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl 6857 [0,1,0,0,0,1|2,0,0]=4 154 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N 6107 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O 10629 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O 5493 [0,1,0,0,0,1|2,0,0]=4 157 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F 6309 [0,1,0,0,0,1|1,0,0]=3 158 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.21 c1cc(ccc1CCC(=O)O)Br B1115 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.27 COC(=O)C=Cc1ccccn1 P1249 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.27 COC(=O)COC1=CC=CC=C1 5583 [0,1,0,0,0,1|0,0,0]=2 164 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 9784 [0,1,0,0,0,1|1,0,0]=3 165 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 5722 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 6844 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 9748 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br 8755 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl 5181 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F 5182 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.125 CC1=CC=CC=C1CCC(=O)O 8274 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.226 C1=CC(=CC(=C1)F)\C=C\C(=O)O 6032 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O 10329 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl 8784 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO 9568 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O 5133 [0,2,0,0,0,0|0,0,0]=2 183 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O 10413 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.4 COC1=CC=C(C=C1)CC(=O)O 6794 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)F 8137 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl 6024 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br 10654 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Cl 9590 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F 5630 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F 9243 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl 10104 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br 5459 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F 5356 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.20 CC(C1=CC=C(C=C1)F)C(=O)[O-] 10098 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)O 8442 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)F 5666 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl 5581 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F 10432 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.127 C1=CC(=C(C=C1Cl)CC(=O)O)F 9666 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br 10293 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Cl 10407 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)F 5420 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.224 C1=CC(=C(C(=C1)Cl)F)CC(=O)O 5116 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O 6065 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl 5419 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F 8986 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F 5629 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.101 C1=C(C=C(C=C1F)F)CC(=O)O 5172 [0,2,0,0,0,0|2,0,0]=4 216 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,1,0,0|0,0,1]=3 217 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,1]=4 218 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|0,0,2]=4 219 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [0,1,0,1,0,0|2,0,0]=4 220 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,1,0,1,0,0|1,0,0]=3 221 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [0,1,0,1,0,0|2,0,0]=4 222 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,1,0,1,0,0|2,0,0]=4 224 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [0,1,0,1,0,0|1,0,1]=4 226 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [0,0,0,0,2,0|2,0,0]=4 229 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [0,0,0,0,2,0|2,0,0]=4 230 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [0,0,0,0,2,0|2,0,0]=4 231 B8R1.7 CC(=O)C1=CC=CS1 8482 [0,0,0,0,2,0|1,0,0]=3 232 B8R1.7 CC(=O)C1=CC=CS1 8660 [0,0,0,0,2,0|1,0,0]=3 233 B8R1.7 CC(=O)C1=NC=CS1 10337 [0,0,0,0,2,0|2,0,0]=4 234 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O 9395 [0,0,0,0,0,2|2,0,0]=4