0 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 B(C1=CN=CN=C1)(O)O 5196 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 C1CC(CC=C1)C(=O)O 5455 [0,0,0,0,0,0|0,0,4]=4 12 B9R1.6 C1CC(CC=C1)C(=O)O 8425 [0,0,0,0,0,0|0,0,4]=4 13 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 CN(C)C1=CC=NC=C1 5603 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 CN(C)c1ccncc1 D0718 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 c1cncnc1C(=O)O P8990 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 C1=CC(=CN=C1)CCl 5990 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 C1=CC(=CN=C1)CN 10146 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 C1=CC(=CN=C1)CO 8600 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 C1=CC=C(C=C1)NN 6820 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 C1=CC=NC(=C1)CCl 10463 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 C1=CC=NC(=C1)CN 5496 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 C1=CN=CC=C1CCl 8451 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.2 COC1=CC=CC=N1 9619 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 COC1=CC=NC=C1 10117 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.13 B(C1=CN=C(C=C1)F)(O)O 5214 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,1,0,0,0,0|1,1,0]=3 44 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,1,0,0,0,0|1,0,1]=3 47 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.13 C1=CC(=NC=C1Cl)[N+](=O)[O-] 8664 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Br 5468 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Cl 5205 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])F 8260 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N 8018 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,1,0,0,0,0|1,0,1]=3 66 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,0,0|1,0,1]=3 71 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.15 C1=CC(=CN=C1)C(=NO)N 9520 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.28 C1=CC(=CN=C1)S(=O)(=O)Cl 5085 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.28 C1=CC(=CN=C1)S(=O)(=O)Cl 8852 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.28 C1=CC=C(C=C1)[Si](Cl)(Cl)Cl 5843 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl P4868 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl P4869 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.28 c1cc(cnc1)S(=O)(=O)O P0398 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [0,1,0,0,0,0|1,0,1]=3 93 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [0,1,0,0,0,0|1,0,1]=3 94 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.61 C1=CC(=C(N=C1)Cl)[N+](=O)[O-] 5452 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] 6721 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O 10088 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,1,0,0,0,0|0,0,0]=1 106 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,1,0,0,0,0|0,0,0]=1 107 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,1,0,0,0,0|0,0,0]=1 108 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,1,0,0,0,0|1,1,0]=3 109 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.61 C1=CN=CC(=C1Cl)[N+](=O)[O-] 8264 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.61 C1=CNC(=O)C(=C1)[N+](=O)[O-] 9986 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.61 CC(c1ccccc1N)O A1015 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O 10119 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O 9355 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [0,1,0,0,0,0|1,0,1]=3 132 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F 8828 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,1,0,0,0,0|0,0,0]=1 141 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.113 CC1=NC=CC(=C1)[N+](=O)[O-] 8373 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.7 B(C1=CC=CO1)(O)O 5417 [0,0,0,0,1,0|2,0,1]=4 159 B8R1.7 B(C1=CC=CO1)(O)O 6454 [0,0,0,0,1,0|2,0,1]=4 160 B8R1.7 B(C1=CSC=C1)(O)O 5537 [0,0,0,0,1,0|2,0,1]=4 161 B8R1.7 B(C1=CSC=C1)(O)O 8743 [0,0,0,0,1,0|2,0,1]=4 162 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [0,0,0,0,1,0|2,0,0]=3 163 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [0,0,0,0,1,0|2,0,0]=3 164 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [0,0,0,0,1,0|2,0,0]=3 165 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [0,0,0,0,1,0|2,0,0]=3 166 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [0,0,0,0,1,0|1,0,0]=2 167 B8R1.7 C1=CON=C1C(=O)O I8529 [0,0,0,0,1,0|2,0,0]=3 168 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [0,0,0,0,1,0|1,0,0]=2 169 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [0,0,0,0,1,0|1,0,1]=3 170 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [0,0,0,0,1,0|2,0,0]=3 171 B8R1.7 C1=NNC(=N1)C(=O)O 10072 [0,0,0,0,1,0|3,0,0]=4 172 B8R1.7 CC(=O)C1=CC=CS1 8482 [0,0,0,0,1,0|2,0,0]=3 173 B8R1.7 CC(=O)C1=CC=CS1 8660 [0,0,0,0,1,0|2,0,0]=3 174 B8R1.7 CC(=O)C1=NC=CS1 10337 [0,0,0,0,1,0|3,0,0]=4 175 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,0,0,0,0,1|1,0,0]=2 176 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,0,0,0,0,1|1,0,0]=2 177 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,0,0,0,0,1|1,0,0]=2 178 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [0,0,0,0,0,1|2,0,1]=4 179 B7R1.3 C1=CC(=CN=C1)N 9511 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.3 C1=CC(=CN=C1)O 6695 [2,0,0,0,0,0|1,0,0]=3 181 B7R1.3 C1=CC(=CN=C1)O 6696 [2,0,0,0,0,0|1,0,0]=3 182 B7R1.3 C1=CC=C(C=C1)F 5387 [2,0,0,0,0,0|1,0,0]=3 183 B7R1.3 C1=CC=C(C=C1)O 5847 [2,0,0,0,0,0|0,0,0]=2 184 B7R1.3 C1=CC=NC(=C1)Br 6647 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.3 C1=CC=[N+](C=C1)[O-] 9065 [2,0,0,0,0,0|1,0,1]=4 186 B7R1.3 CC1=CN=CC=C1 8633 [2,0,0,0,0,0|1,0,1]=4 187 B7R1.3 c1ccc(cc1)F B0042 [2,0,0,0,0,0|1,0,0]=3 188 B7R1.3 c1ccnc(c1)Br B0025 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [1,1,0,0,0,0|1,0,1]=4 191 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [1,1,0,0,0,0|1,0,1]=4 193 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [1,1,0,0,0,0|0,0,0]=2 196 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [1,1,0,0,0,0|0,0,0]=2 197 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [1,1,0,0,0,0|0,0,0]=2 198 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [1,1,0,0,0,0|1,0,1]=4 201 B9R1.1 C1=CC(=CC=C1CN)F 5139 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.1 C1=CC(=CC=C1CN)O 8602 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [1,1,0,0,0,0|0,1,1]=4 204 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.1 C1=CC(=CC=C1NN)F 5594 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [1,1,0,0,0,0|1,0,1]=4 212 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [1,1,0,0,0,0|1,0,1]=4 213 B9R1.1 CC1=CC=C(C=C1)CN 9612 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.1 COC1=CC=C(C=C1)Br 6813 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.1 COC1=CC=C(C=C1)F 5383 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.1 COC1=CC=C(C=C1)N 8631 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.1 COC1=CC=C(C=C1)S 8726 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.1 CSC1=CC=C(C=C1)F 9086 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.2 C1=C(C=NC=C1Br)C=O 6653 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [1,1,0,0,0,0|0,0,0]=2 221 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [1,1,0,0,0,0|0,0,0]=2 226 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [1,1,0,0,0,0|0,0,1]=3 227 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.2 C1=CC(=CC(=C1)I)C#N 9764 [1,1,0,0,0,0|1,0,1]=4 229 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [1,1,0,0,0,0|0,0,0]=2 230 B9R1.2 C1=CC(=CC(=C1)N)C#N 6460 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.2 C1=CC(=NC(=C1)Br)C=O 8472 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.2 C1=CN=C(C=C1CO)Br 8980 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [1,1,0,0,0,0|0,0,0]=2 236 B9R1.2 CC1=CC=CC(=N1)C=O 10415 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.2 COC1=CC(=CC=C1)F 5384 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.2 COC1=CC(=CC=C1)S 5358 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.2 COC1=CC=CC(=C1)N 9172 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.2 COc1cccc(c1)Br B0420 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.2 COc1cccc(c1)Cl C0028 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.2 CSC1=CC=CC(=C1)F 9504 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.2 CSC1=CC=CC(=C1)N 6516 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,1,0,0,0,0|1,0,1]=4 246 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,1,0,0,0,0|1,0,1]=4 247 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,1,0,0,0,0|0,0,1]=3 248 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,1,0,0,0,0|1,0,1]=4 249 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,1,0,0,0,0|1,0,1]=4 250 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [1,1,0,0,0,0|0,0,0]=2 259 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [1,1,0,0,0,0|1,0,1]=4 260 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [1,1,0,0,0,0|0,0,1]=3 265 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [1,1,0,0,0,0|0,0,1]=3 266 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [1,1,0,0,0,0|0,0,1]=3 267 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [1,1,0,0,0,0|0,0,1]=3 268 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.15 CC1=CC=CC=C1CO 6723 [1,1,0,0,0,0|0,0,1]=3 270 B9R1.15 CCC1=CC=CC=C1I 6010 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.15 CCC1=CC=CC=C1S 5060 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.15 COC1=CC=CC=C1Br 6133 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.15 COC1=CC=CC=C1F 6115 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 COC1=CC=CC=C1I 9182 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.15 COC1=CC=CC=C1N 6674 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.15 COc1ccccc1Br B0022 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.15 CSC1=CC=CC=C1Br 5058 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.15 CSC1=CC=CC=C1Cl 6157 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.15 CSC1=CC=CC=C1N 8226 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 CSC1=CC=CC=C1O 8029 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,1,0,0,1,0|2,0,0]=4 283 B9R1.11 COC(=O)C1=CC=NN1 6618 [0,1,0,0,1,0|2,0,0]=4 284 B9R1.11 COC(=O)C1=CN=CN1 10237 [0,1,0,0,1,0|2,0,0]=4 285 B9R1.35 C1=C(OC(=C1)Br)C(=O)O 6446 [0,1,0,0,1,0|1,0,0]=3 286 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [0,1,0,0,1,0|1,0,0]=3 287 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl 10677 [0,1,0,0,1,0|2,0,0]=4 288 B9R1.35 C1=C(SC(=N1)Br)C(=O)O 5706 [0,1,0,0,1,0|2,0,0]=4 289 B9R1.35 C1=C(SC=C1Br)C(=O)O 5005 [0,1,0,0,1,0|1,0,0]=3 290 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,1,0,0,1,0|2,0,0]=4 292 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [0,1,0,0,1,0|1,0,0]=3 293 B9R1.35 CN1C=C(C=N1)C(=O)O 5080 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.35 CN1C=C(N=C1)C(=O)O 8619 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [0,1,0,0,1,0|1,0,0]=3 296 B9R1.41 C1=CSC(=C1N)C(=O)N 6479 [0,1,0,0,1,0|2,0,0]=4 297 B9R1.41 C1=NNC(=C1C(=O)O)N 8614 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [0,1,0,0,1,0|2,0,0]=4 300 B9R1.41 Cc1ccoc1C(=O)O M0024 [0,1,0,0,1,0|1,0,0]=3 301 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,1,0,0,0,1|0,0,0]=2 302 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,1,0,0,0,1|0,0,0]=2 303 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,1,0,0,0,1|0,0,0]=2 304 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,1,0,0,0,1|0,0,0]=2 305 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [0,1,0,0,0,1|1,1,0]=4 306 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.20 CC(=O)NC1=NC=C(C=C1)N 6514 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,1,0,0,0,1|0,0,0]=2 310 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,1,0,0,0,1|0,0,0]=2 311 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [0,1,0,0,0,1|0,0,0]=2 312 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [0,1,0,0,0,1|0,0,0]=2 313 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,1,0,0,0,1|0,0,0]=2 314 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [0,1,0,0,0,1|1,1,0]=4 315 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [0,1,0,0,0,1|0,0,0]=2 316 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [0,1,0,0,0,1|0,0,0]=2 317 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [0,1,0,0,0,1|0,0,1]=3 318 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [0,1,0,0,0,1|0,0,0]=2 319 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [0,1,0,0,0,1|0,0,0]=2 320 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [0,1,0,0,0,1|1,0,0]=3 321 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O 10516 [0,2,0,0,0,0|1,0,1]=4 322 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O 8393 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.3 B(C1=CC=C(C=C1)CC)(O)O 5017 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.3 B(C1=CC=C(C=C1)CO)(O)O 6503 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O 9492 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.3 C1=CC(=CC=C1C#N)[N+](=O)[O-] 10545 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [0,2,0,0,0,0|0,0,0]=2 328 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [0,2,0,0,0,0|0,0,0]=2 329 B11R1.3 C1=CC(=CC=C1NN)[N+](=O)[O-] 5239 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [0,2,0,0,0,0|1,0,0]=3 331 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [0,2,0,0,0,0|0,0,0]=2 332 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [0,2,0,0,0,0|1,0,0]=3 333 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] N0089 [0,2,0,0,0,0|1,0,1]=4 334 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)N 5136 [0,2,0,0,0,0|1,0,1]=4 335 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)N 6297 [0,2,0,0,0,0|1,0,1]=4 336 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)O 6804 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.19 C1=CC(=CC=C1S(=O)(=O)Cl)Cl 10200 [0,2,0,0,0,0|1,0,1]=4 338 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl 6805 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [0,2,0,0,0,0|1,0,0]=3 342 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br 6161 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N 8975 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O 5187 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O 9368 [0,2,0,0,0,0|1,0,1]=4 346 B11R1.21 B(C1=CC(=C(C=C1)F)F)(O)O 10317 [0,2,0,0,0,0|1,0,1]=4 347 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F 6379 [0,2,0,0,0,0|1,0,0]=3 348 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)F 6189 [0,2,0,0,0,0|1,0,0]=3 349 B11R1.21 C1=CC(=C(C=C1C(=O)N)F)F 6205 [0,2,0,0,0,0|1,0,0]=3 350 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Cl 6852 [0,2,0,0,0,0|0,0,0]=2 351 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Br 10653 [0,2,0,0,0,0|0,0,0]=2 352 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F 5565 [0,2,0,0,0,0|0,0,0]=2 353 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N 10388 [0,2,0,0,0,0|0,0,0]=2 354 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Cl 6223 [0,2,0,0,0,0|0,0,0]=2 355 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)F 10520 [0,2,0,0,0,0|0,0,0]=2 356 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N 8422 [0,2,0,0,0,0|0,0,0]=2 357 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)O 9542 [0,2,0,0,0,0|0,0,0]=2 358 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)Cl 10576 [0,2,0,0,0,0|0,0,0]=2 359 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Cl 8056 [0,2,0,0,0,0|0,0,0]=2 360 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F 8984 [0,2,0,0,0,0|0,0,0]=2 361 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O 10466 [0,2,0,0,0,0|0,0,0]=2 362 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O 8891 [0,2,0,0,0,0|0,0,0]=2 363 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)F 5301 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)O 10420 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)F 6084 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)I 8309 [0,2,0,0,0,0|1,0,1]=4 367 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)N 6789 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Cl 9188 [0,2,0,0,0,0|1,0,1]=4 369 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)F 10057 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)N 8806 [0,2,0,0,0,0|1,0,1]=4 371 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)O 8571 [0,2,0,0,0,0|1,0,1]=4 372 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Br 8673 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Cl 6759 [0,2,0,0,0,0|1,0,1]=4 374 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)N 5708 [0,2,0,0,0,0|1,0,1]=4 375 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br 6438 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F 5378 [0,2,0,0,0,0|1,0,0]=3 377 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F 6468 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F 5569 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C 10163 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F 8586 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [0,2,0,0,0,0|0,0,0]=2 383 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [0,2,0,0,0,0|0,0,0]=2 384 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [0,2,0,0,0,0|0,0,0]=2 386 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Br 5341 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])F 5574 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I 5610 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N 9544 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F 6280 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br 6529 [0,2,0,0,0,0|0,0,0]=2 392 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl 10036 [0,2,0,0,0,0|0,0,0]=2 393 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I 8691 [0,2,0,0,0,0|0,0,0]=2 394 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N 5197 [0,2,0,0,0,0|0,0,0]=2 395 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F 5497 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,2,0,0,0,0|0,0,1]=3 397 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,2,0,0,0,0|1,0,0]=3 404 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,2,0,0,0,0|0,0,0]=2 406 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.166 B(C1=C(C=C(C=C1)Cl)Cl)(O)O 9953 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 5014 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 9885 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 8630 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,2,0,0,0,0|0,0,0]=2 416 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,2,0,0,0,0|0,0,0]=2 418 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 10103 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 6702 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,2,0,0,0,0|0,0,0]=2 421 B11R1.166 C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] 6808 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,2,0,0,0,0|0,0,0]=2 423 B11R1.166 C1=CC(=C(C=C1Cl)F)[N+](=O)[O-] 9293 [0,2,0,0,0,0|1,0,1]=4 424 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,2,0,0,0,0|0,0,0]=2 425 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] 6627 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,2,0,0,0,0|0,0,0]=2 428 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,2,0,0,0,0|0,0,0]=2 429 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,2,0,0,0,0|0,0,0]=2 431 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.166 C1=CC(=C(C=C1F)F)[N+](=O)[O-] 6031 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,2,0,0,0,0|0,0,0]=2 435 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5234 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5557 [0,2,0,0,0,0|1,0,1]=4 437 B11R1.166 C1=CC(=C(C=C1N)Br)[N+](=O)[O-] 10139 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [0,2,0,0,0,0|0,0,1]=3 439 B11R1.166 C1=CC(=C(C=C1N)F)[N+](=O)[O-] 10543 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.166 C1=CC(=C(C=C1N)N)[N+](=O)[O-] 10248 [0,2,0,0,0,0|1,0,1]=4 441 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,2,0,0,0,0|0,0,0]=2 443 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,2,0,0,0,0|0,0,0]=2 444 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,2,0,0,0,0|1,0,0]=3 446 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,2,0,0,0,0|1,0,0]=3 447 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,2,0,0,0,0|0,0,0]=2 448 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,2,0,0,0,0|0,0,0]=2 449 B11R1.166 CC1=C(C=CC(=C1)F)[N+](=O)[O-] 6095 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,2,0,0,0,0|0,0,0]=2 451 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,2,0,0,0,0|0,0,0]=2 452 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,2,0,0,0,0|0,0,0]=2 453 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0147 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0336 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=S 8487 [0,2,0,0,0,0|0,1,0]=3 458 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [0,2,0,0,0,0|0,0,0]=2 459 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN 9274 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl 8550 [0,2,0,0,0,0|0,0,0]=2 463 B11R1.23 COC(=O)C1=CC(=CC=C1)I 9834 [0,2,0,0,0,0|0,0,0]=2 464 B11R1.23 COC(=O)C1=CC(=CC=C1)O 10660 [0,2,0,0,0,0|0,0,0]=2 465 B11R1.23 COC(=O)C1=CC(=CN=C1)Br 5020 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.23 COC(=O)C1=NC=CC(=C1)Br 9818 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl 9624 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F 8384 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O 9621 [0,2,0,0,0,0|0,0,0]=2 471 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.222 COC(=O)C1=C(C=CN=C1)N 10408 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.222 COC(=O)C1=C(C=NC=C1)Br 10681 [0,2,0,0,0,0|1,0,0]=3 474 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,2,0,0,0,0|0,0,0]=2 476 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)Cl 8190 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl 5028 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)N)Cl 8406 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.155 C1=CC(=CC(=C1)Br)S(=O)(=O)Cl 10588 [0,2,0,0,0,0|1,0,1]=4 481 B11R1.155 C1=CC(=CC(=C1)Br)S(=O)(=O)N 8666 [0,2,0,0,0,0|1,0,1]=4 482 B11R1.155 C1=CC(=CC(=C1)Cl)S(=O)(=O)Cl 5135 [0,2,0,0,0,0|1,0,1]=4 483 B11R1.155 C1=CC(=CC(=C1)Cl)S(=O)(=O)N 6621 [0,2,0,0,0,0|1,0,1]=4 484 B11R1.155 C1=CC(=CC(=C1)S(=O)(=O)Cl)F 5279 [0,2,0,0,0,0|1,0,1]=4 485 B11R1.155 C1=CC(=CC(=C1)S(=O)(=O)N)N 8879 [0,2,0,0,0,0|1,0,1]=4 486 B11R1.155 CS(=O)(=O)C1=CC=CC(=C1)N 8536 [0,2,0,0,0,0|1,0,1]=4 487 B11R1.53 B(C1=CC=CC=C1C=O)(O)O 5373 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [0,2,0,0,0,0|1,0,1]=4 489 B11R1.53 CSC1=CC=CC=C1C(=O)O 9495 [0,2,0,0,0,0|0,0,0]=2 490 B11R1.156 B(C1=C(C=CC=C1Cl)Cl)(O)O 6456 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.156 B(C1=C(C=CC=C1F)F)(O)O 10494 [0,2,0,0,0,0|1,0,1]=4 492 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)Cl 6567 [0,2,0,0,0,0|0,0,0]=2 493 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)F 6241 [0,2,0,0,0,0|0,0,0]=2 494 B11R1.156 C1=CC(=C(C(=C1)Br)[N+](=O)[O-])F 10127 [0,2,0,0,0,0|1,0,1]=4 495 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)Cl 5394 [0,2,0,0,0,0|0,0,0]=2 496 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F 5099 [0,2,0,0,0,0|0,0,0]=2 497 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F 5353 [0,2,0,0,0,0|0,0,0]=2 498 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F 6208 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F 5615 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N 5439 [0,2,0,0,0,0|1,0,0]=3 501 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)N 5048 [0,2,0,0,0,0|0,0,0]=2 502 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O 6300 [0,2,0,0,0,0|0,0,0]=2 503 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])O 9968 [0,2,0,0,0,0|1,0,1]=4 504 B11R1.156 C1=CN=C(C(=C1Cl)C(=O)O)Cl 10555 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.156 CC(=O)C1=C(C=CC=C1Cl)F 5981 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.156 CC(=O)C1=C(C=CC=C1F)F 5605 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.156 CC(=O)C1=C(C=CC=C1O)O 6860 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N 6850 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)O 9895 [0,2,0,0,0,0|0,0,0]=2 510 B11R1.156 CC1=C(C(=CC=C1)N)C(=O)O 10650 [0,2,0,0,0,0|0,0,0]=2 511 B11R1.159 B(C1=C(C(=CC=C1)F)F)(O)O 10414 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)C(=O)O 8609 [0,2,0,0,0,0|0,0,0]=2 513 B11R1.159 C1=CC(=C(C(=C1)Br)F)C(=O)O 6242 [0,2,0,0,0,0|0,0,0]=2 514 B11R1.159 C1=CC(=C(C(=C1)Br)F)[N+](=O)[O-] 6757 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.159 C1=CC(=C(C(=C1)Br)[O-])[N+](=O)[O-] 10684 [0,2,0,0,0,0|1,0,1]=4 516 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)O 8360 [0,2,0,0,0,0|0,0,0]=2 517 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O 8329 [0,2,0,0,0,0|0,0,0]=2 518 B11R1.159 C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-] 5260 [0,2,0,0,0,0|1,0,1]=4 519 B11R1.159 C1=CC(=C(C(=C1)F)Br)[N+](=O)[O-] 9212 [0,2,0,0,0,0|1,0,1]=4 520 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O 5124 [0,2,0,0,0,0|0,0,0]=2 521 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O 10136 [0,2,0,0,0,0|0,0,0]=2 522 B11R1.159 C1=CC(=C(C(=C1)F)O)[N+](=O)[O-] 6434 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O 10409 [0,2,0,0,0,0|0,0,0]=2 524 B11R1.159 C1=CC(=C(C(=C1)O)N)[N+](=O)[O-] 8977 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.159 C1=CN=C(C(=C1C(=O)O)F)Cl 6481 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.159 CC(=O)C1=C(C(=CC=C1)F)F 9780 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O 6667 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.159 CC1=C(C(=CC=C1)[N+](=O)[O-])N 8996 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O 8705 [0,2,0,0,0,0|0,0,0]=2 530 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] 8133 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.159 CC1=C(C=CC=C1Cl)C(=O)O 5119 [0,2,0,0,0,0|0,0,0]=2 532 B11R1.159 CC1=C(C=CC=C1F)C(=O)[O-] 5368 [0,2,0,0,0,0|0,0,1]=3 533 B11R1.159 CC1=C(C=CC=C1F)[N+](=O)[O-] 9509 [0,2,0,0,0,0|1,0,1]=4 534 B11R1.159 CC1=C(C=CC=C1O)C(=O)O 10009 [0,2,0,0,0,0|0,0,0]=2 535 B11R1.159 CC1=CC=CC(=C1Br)C(=O)O 5552 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O 9214 [0,2,0,0,0,0|0,0,0]=2 537 B11R1.159 CC1=CC=CC(=C1I)C(=O)O 6863 [0,2,0,0,0,0|0,0,0]=2 538 B11R1.159 CC1=CC=CC(=C1N)C(=O)O 6598 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.167 B(C1=C(C=CC(=C1)C)C)(O)O 8553 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.167 B(C1=C(C=CC(=C1)F)F)(O)O 5310 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.167 C1=C(C(=NC=C1Br)Cl)C(=O)[O-] 5249 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.167 C1=C(C(=NC=C1F)Cl)C(=O)O 9339 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O 10074 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O 8259 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br 6768 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)Cl 5334 [0,2,0,0,0,0|0,0,0]=2 547 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)I 8491 [0,2,0,0,0,0|0,0,0]=2 548 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 5476 [0,2,0,0,0,0|0,0,0]=2 549 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 6519 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)O 8508 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])Cl 9831 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])F 5047 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])N 5340 [0,2,0,0,0,0|1,0,1]=4 554 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F 6251 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)F 9892 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 10376 [0,2,0,0,0,0|0,0,0]=2 557 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 5046 [0,2,0,0,0,0|0,0,0]=2 558 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5072 [0,2,0,0,0,0|0,0,0]=2 559 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5344 [0,2,0,0,0,0|0,0,0]=2 560 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F 8599 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F 9801 [0,2,0,0,0,0|1,0,1]=4 562 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F 5161 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br 8351 [0,2,0,0,0,0|0,0,0]=2 564 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)F 6069 [0,2,0,0,0,0|0,0,0]=2 565 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)N 6138 [0,2,0,0,0,0|0,0,0]=2 566 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])I 6303 [0,2,0,0,0,0|1,0,1]=4 567 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N 8712 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O 6104 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Br 5274 [0,2,0,0,0,0|0,0,0]=2 570 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)I 9722 [0,2,0,0,0,0|0,0,0]=2 571 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F 9459 [0,2,0,0,0,0|0,0,0]=2 572 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F 10160 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F 6051 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)N 8634 [0,2,0,0,0,0|0,0,0]=2 575 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])Cl 9418 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F 10631 [0,2,0,0,0,0|1,0,0]=3 577 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)Cl 8109 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)Cl 9377 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F 5604 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O 10507 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O 9714 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.167 CC1=C(C=C(C=C1)Cl)C(=O)O 9462 [0,2,0,0,0,0|0,0,0]=2 583 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl 6306 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6092 [0,2,0,0,0,0|0,0,0]=2 585 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6093 [0,2,0,0,0,0|0,0,0]=2 586 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] 6224 [0,2,0,0,0,0|1,0,1]=4 587 B11R1.167 CC1=C(C=C(C=C1)N)[N+](=O)[O-] 8408 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.167 CC1=C(C=C(C=C1)O)C(=O)O 9407 [0,2,0,0,0,0|0,0,0]=2 589 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] 6053 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O 8528 [0,2,0,0,0,0|0,0,0]=2 591 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O 5026 [0,2,0,0,0,0|0,0,0]=2 592 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] 6144 [0,2,0,0,0,0|1,0,1]=4 593 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 5607 [0,2,0,0,0,0|0,0,0]=2 594 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 6864 [0,2,0,0,0,0|0,0,0]=2 595 B11R1.167 CC1=CC(=C(C=C1)I)[N+](=O)[O-] 9064 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)O 5694 [0,2,0,0,0,0|0,0,0]=2 597 B11R1.167 CC1=CC(=C(C=C1)N)[N+](=O)[O-] 6774 [0,2,0,0,0,0|1,0,1]=4 598 B11R1.74 B(C1=CC(=CC(=C1)Cl)Cl)(O)O 6574 [0,2,0,0,0,0|1,0,1]=4 599 B11R1.74 C1=C(C=C(C=C1Br)Br)C(=O)O 8107 [0,2,0,0,0,0|0,0,0]=2 600 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O 5395 [0,2,0,0,0,0|0,0,0]=2 601 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O 5109 [0,2,0,0,0,0|0,0,0]=2 602 B11R1.74 C1=C(C=C(C=C1F)Cl)C(=O)O 10049 [0,2,0,0,0,0|0,0,0]=2 603 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)N 5033 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.74 C1=C(C=C(N=C1Cl)Cl)C(=O)O 6506 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O 6716 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.74 CC(=O)C1=CC(=CC(=C1)F)F 5151 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C 6658 [0,2,0,0,0,0|0,0,0]=2 608 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)F 10642 [0,2,0,0,0,0|0,0,0]=2 609 B11R1.74 CC1=NC(=CC(=C1)C(=O)O)Cl 6505 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.74 Cc1cc(cc(c1)F)C(=O)Cl F4210 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.74 Cc1cc(cc(c1)F)C(=O)N F0059 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.74 c1c(cc(cc1F)Br)C(=O)N B0294 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.74 c1c(cc(cc1F)Cl)C(=O)Cl C0091 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.74 c1c(cc(cc1F)F)[N+](=O)[O-] D0419 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O D2449 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.266 B(C1=CC(=CC=C1)C#N)(O)O 6450 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.266 B(C1=CC(=CC=C1)C=O)(O)O 5148 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.266 B(C1=CC(=CC=C1)CO)(O)O 8443 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.266 C1=CC(=CC(=C1)CCl)C(=O)O 8272 [0,2,0,0,0,0|0,0,0]=2 620 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])CN 10505 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.266 CC(=O)C1=CC=CC(=C1)C#N 6016 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.13 C1=CSC=C1CC(=O)O 6801 [0,0,1,1,0,0|1,0,1]=4 623 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [0,0,0,1,0,1|1,0,0]=3 624 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [0,0,0,1,0,1|0,0,0]=2 625 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [0,0,0,1,0,1|0,1,0]=3 626 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [0,0,0,1,0,1|1,0,0]=3 627 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [0,0,0,1,0,1|1,0,0]=3 628 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [0,0,0,1,0,1|1,0,0]=3 629 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [0,0,0,1,0,1|2,0,0]=4 630 B11R2.1 C1=CC2=C(NN=C2C=C1)Br 9942 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.1 C1=CN=C(N1)C=O 6465 [1,0,0,0,1,0|2,0,0]=4 632 B7R1.1 C1=CSC(=N1)C=O 9389 [1,0,0,0,1,0|2,0,0]=4 633 B7R1.1 c1cc(oc1)C=O F0018 [1,0,0,0,1,0|1,0,0]=3 634 B7R1.1 c1cc(sc1)C=O T0002 [1,0,0,0,1,0|1,0,0]=3 635 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [0,0,0,0,0,2|1,0,0]=3 636 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [0,0,0,0,0,2|2,0,0]=4 637 B11R1.91 c1ccnc(c1)CCC(=O)O P1251 [0,0,0,0,0,2|1,0,0]=3 638 B11R1.91 c1cnccc1CCC(=O)O P1258 [0,0,0,0,0,2|1,0,0]=3