0 B7R1.3 C1=C(C=NC=N1)Br 5441 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 C1=C(C=NC=N1)N 10659 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 C1=CC(=CN=C1)N 9511 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C1=CC(=CN=C1)O 6695 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 C1=CC(=CN=C1)O 6696 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 C1=CC=C(C=C1)F 5387 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 C1=CC=C(C=C1)O 5847 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C1=CC=NC(=C1)Br 6647 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C1=CC=[N+](C=C1)[O-] 9065 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 C1=CN=C(C=N1)Cl 5278 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.3 C1=CN=C(C=N1)N 6677 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 C1=CN=CN=C1N 6491 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 CC1=CN=CC=C1 8633 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 c1c(cncn1)Br B0314 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.3 c1ccc(cc1)F B0042 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 c1ccnc(c1)Br B0025 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 c1cnc(nc1)N A0006 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.1 C1=CC=NC=C1 8793 [1,0,0,0,0,0|0,0,0]=1 18 B6R1.1 C1=CC=NN=C1 6802 [1,0,0,0,0,0|1,0,0]=2 19 B6R1.1 C1=CN=CC=N1 6118 [1,0,0,0,0,0|1,0,0]=2 20 B6R1.1 C1=CN=CC=N1 8999 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.2 C1=CC(=CN=C1)CCl 5990 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.2 C1=CC(=CN=C1)CN 10146 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 C1=CC(=CN=C1)CO 8600 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 C1=CC=C(C=C1)NN 6820 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.2 C1=CC=NC(=C1)CCl 10463 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 C1=CC=NC(=C1)CN 5496 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.2 C1=CN=CC=C1CCl 8451 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.2 COC1=CC=CC=N1 9619 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 COC1=CC=NC=C1 10117 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.2 c1ccnc(c1)C=O P0092 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 c1cnccc1C=O P0128 [0,1,0,0,0,0|1,0,0]=2 32 B8R1.2 c1cnccc1C=O P0128 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.3 C1=C(C=NC(=N1)N)Br 10687 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.3 C1=C(C=NC(=N1)N)Cl 5105 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.3 C1=CC(=CC=C1F)Br 6014 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.3 C1=CC(=CC=C1F)Cl 9763 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 C1=CC(=CC=C1F)F 10591 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.3 C1=CC(=CC=C1N)Cl 6700 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.3 C1=CC(=CC=C1N)F 5032 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.3 C1=CC(=CC=C1N)I 8418 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.3 C1=CC(=NC=C1Br)Br 5443 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.3 C1=CC(=NC=C1Br)Cl 9228 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.3 C1=CC(=NC=C1Br)I 9334 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.3 C1=CC(=NC=C1Br)N 10514 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.3 C1=CC(=NC=C1Cl)Br 6467 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 C1=CC(=NC=C1Cl)N 8218 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.3 C1=CC(=NC=C1F)Br 10006 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.3 C1=CC(=NC=C1F)Br 6615 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.3 C1=CC(=NC=C1F)Cl 9957 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.3 C1=CC(=NC=C1F)F 5247 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.3 C1=CC(=NC=C1F)N 10320 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 C1=CC(=NC=C1I)Br 9940 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.3 C1=CC(=NC=C1I)Cl 5225 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.3 C1=CC(=NC=C1I)N 5110 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.3 C1=CC(=NC=C1O)Br 10436 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.3 C1=CC(=NN=C1N)Cl 10039 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.3 C1=CC(=O)NC=C1Br 8266 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.3 C1=CC(=O)NC=C1F 8617 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.3 CC1=CN=C(C=C1)Br 9393 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.3 CC1=CN=C(C=C1)F 5449 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.3 CC1=CNC(=O)C=C1 9951 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.3 CC1=NC=C(C=C1)Br 5076 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.3 CC1=NC=C(C=C1)N 10240 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.3 c1c(cnc(n1)N)Br A0051 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.3 c1cc(ccc1F)Br B0238 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.3 c1cc(ccc1N)F F0045 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.3 c1cc(nnc1N)Cl C2401 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.4 C1=C(C=NC=C1Br)Br 5217 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.4 C1=C(C=NC=C1Br)F 5671 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.4 C1=C(C=NC=C1Br)O 10431 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.4 C1=C(C=NC=C1Cl)Cl 10175 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.4 C1=C(C=NC=C1Cl)F 8265 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.4 C1=C(C=NC=C1F)F 5685 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.4 C1=C(C=NC=C1F)N 6698 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 C1=CC(=CC(=C1)Br)Br 5153 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.4 C1=CC(=CC(=C1)Br)N 8582 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.4 C1=CC(=CC(=C1)Br)N 8583 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.4 C1=CC(=CC(=C1)Br)S 5283 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.4 C1=CC(=CC(=C1)Cl)O 10156 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.4 C1=CC(=CC(=C1)F)F 6015 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.4 C1=CC(=CC(=C1)I)Br 5550 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.4 C1=CC(=CC(=C1)I)F 8911 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.4 C1=CC(=CC(=C1)I)O 9915 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.4 C1=CC(=NC(=C1)Br)Br 5221 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.4 C1=CC(=NC(=C1)Br)Cl 8069 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.4 C1=CC(=NC(=C1)Cl)F 5672 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.4 C1=CC(=NC(=C1)Cl)N 5316 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 C1=CC(=NC(=C1)F)F 10361 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.4 C1=CC(=NC(=C1)F)N 5229 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.4 C1=CC(=NC(=C1)N)N 6752 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.4 C1=CC(=O)NC(=C1)Cl 10464 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.4 C1=CC(=O)NC(=C1)F 6665 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.4 C1=CN=C(C=C1Br)Br 5241 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.4 C1=CN=C(C=C1Br)Cl 8808 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.4 C1=CN=C(C=C1Br)F 6500 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.4 C1=CN=C(C=C1Br)N 8459 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.4 C1=CN=C(C=C1Cl)Cl 5661 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.4 C1=CN=C(C=C1I)F 8362 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.4 C1=CN=C(C=C1N)Br 9320 [0,1,0,0,0,0|0,0,0]=1 102 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [0,1,0,0,0,0|0,0,0]=1 103 B8R1.4 C1=CN=C(N=C1N)Cl 6711 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.4 C1=CN=C(N=C1N)N 9571 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.4 C1=CNC(=O)C=C1O 10547 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.4 C1=NC(=O)NC(=N1)N 8219 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.4 C1CC(=CC(=O)C1)N 8165 [0,1,0,0,0,0|1,0,2]=4 108 B8R1.4 CC1=CC(=CC=C1)Br 9432 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 CC1=CC(=CC=C1)I 8771 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.4 CC1=CC(=CN=C1)N 8645 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.4 CC1=CC(=NC=C1)Br 9012 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.4 CC1=CC(=NC=C1)F 5561 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.4 CC1=CC(=NC=C1)F 6308 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.4 CC1=NC(=CC=C1)Br 5660 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.4 CC1=NC(=CC=C1)F 9658 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.4 CC1=NC(=NC=C1)Br B1240 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.4 CC1=NC(=NC=C1)Cl 5673 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.4 CC1=NC=CC(=C1)N 6613 [0,1,0,0,0,0|0,0,0]=1 121 B8R1.4 Cc1ccnc(n1)N A0244 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.4 Cc1ccnc(n1)O H0124 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.4 c1c(ncnc1O)O D0129 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.4 c1cc(cc(c1)Br)F B0235 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.5 C1=CN=CC(=C1I)F 8281 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.5 C1=CN=CC(=C1N)Br 9751 [0,1,0,0,0,0|0,0,0]=1 158 B8R1.5 C1=CN=CC(=C1N)N 9425 [0,1,0,0,0,0|0,0,0]=1 159 B8R1.5 C1=CNC=C(C1=O)N 9533 [0,1,0,0,0,0|1,0,1]=3 160 B8R1.5 CC1=C(C=CC=N1)Br 5675 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.5 CC1=C(C=CC=N1)N 10626 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.5 CC1=C(C=NC=C1)Br 10003 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.5 CC1=C(N=CC=C1)Br 8086 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.5 CC1=CC=CC=C1Cl 5808 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.5 CC1=CC=CC=C1I 5298 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.5 c1c(c(cnn1)Cl)Cl D1249 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.5 c1ccc(c(c1)N)F F0011 [0,1,0,0,0,0|1,0,0]=2 169 B6R1.2 C1=C(C=NN1)Br 6650 [0,0,0,0,1,0|2,0,0]=3 170 B6R1.2 C1=C(C=NN1)Cl 5689 [0,0,0,0,1,0|2,0,0]=3 171 B6R1.2 C1=C(C=NN1)I 10066 [0,0,0,0,1,0|2,0,0]=3 172 B6R1.2 C1=C(C=NN1)I 5132 [0,0,0,0,1,0|2,0,0]=3 173 B6R1.2 C1=C(N=CS1)Br 9723 [0,0,0,0,1,0|3,0,0]=4 174 B6R1.2 C1=C(NC=N1)Br 10481 [0,0,0,0,1,0|2,0,0]=3 175 B6R1.2 C1=C(NN=C1)N 5250 [0,0,0,0,1,0|1,0,0]=2 176 B6R1.2 C1=CON=C1N 6722 [0,0,0,0,1,0|2,0,0]=3 177 B6R1.2 C1=CSC(=C1)Br 5377 [0,0,0,0,1,0|2,0,0]=3 178 B6R1.2 C1=CSC(=C1)Cl 9477 [0,0,0,0,1,0|2,0,0]=3 179 B6R1.2 C1=CSC(=C1)I 9486 [0,0,0,0,1,0|2,0,0]=3 180 B6R1.2 C1=CSC(=N1)Br 5317 [0,0,0,0,1,0|3,0,0]=4 181 B6R1.2 C1=CSC(=N1)N 6775 [0,0,0,0,1,0|2,0,0]=3 182 B6R1.2 C1=CSC=C1Cl 9478 [0,0,0,0,1,0|2,0,0]=3 183 B6R1.2 C1=NN=C(S1)N 5215 [0,0,0,0,1,0|2,0,0]=3 184 B6R1.2 C1=NNC(=N1)Br 5082 [0,0,0,0,1,0|3,0,0]=4 185 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,0,1,0|1,0,2]=4 186 B6R1.2 CC1=CC=CS1 8742 [0,0,0,0,1,0|2,0,0]=3 187 B6R1.2 CC1=CC=NN1 8083 [0,0,0,0,1,0|2,0,0]=3 188 B6R1.2 CC1=CN=CN1 9563 [0,0,0,0,1,0|2,0,0]=3 189 B6R1.2 CC1=CSC=N1 8929 [0,0,0,0,1,0|3,0,0]=4 190 B6R1.2 CN1C=NC=N1 8972 [0,0,0,0,1,0|3,0,0]=4 191 B6R1.2 Cc1cccs1 M0049 [0,0,0,0,1,0|2,0,0]=3 192 B7R1.1 C1=COC(=C1)C#N 10551 [0,1,0,0,1,0|1,0,1]=4 193 B7R1.1 C1=CSC(=C1)C#N 6398 [0,1,0,0,1,0|1,0,1]=4 194 B7R1.1 C1=CSC(=C1)CN 6832 [0,1,0,0,1,0|1,0,0]=3 195 B7R1.1 C1=CSC=C1C#N 8541 [0,1,0,0,1,0|1,0,1]=4 196 B7R1.1 c1cc(oc1)C=O F0018 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.1 c1cc(oc1)CN F0590 [0,1,0,0,1,0|1,0,0]=3 198 B7R1.1 c1cc(sc1)C=O T0002 [0,1,0,0,1,0|2,0,0]=4 199 B7R1.1 o1c(ccc1)CN F0591 [0,1,0,0,1,0|1,0,0]=3 200 B7R1.2 C1(=NN=C(S1)Br)N 9502 [0,1,0,0,1,0|2,0,0]=4 201 B7R1.2 C1=C(SC(=C1)Cl)Cl 6132 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.2 CC1=CC(=NN1)C 10496 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.2 CC1=CC(=NO1)C 9870 [0,1,0,0,1,0|2,0,0]=4 204 B7R1.2 CC1=CC=C(S1)Br 6601 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.2 CC1=CSC(=N1)N 9596 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.2 CC1=NSC(=N1)N 9028 [0,1,0,0,1,0|2,0,0]=4 207 B7R1.2 CN1C=CC(=N1)N 6616 [0,1,0,0,1,0|1,0,1]=4 208 B7R1.2 CN1C=CC(=N1)N 9450 [0,1,0,0,1,0|1,0,1]=4 209 B7R1.2 Cc1cc(n[nH]1)C D0196 [0,1,0,0,1,0|2,0,0]=4 210 B7R1.4 C1=C(C(=CS1)Br)Br 5997 [0,1,0,0,1,0|2,0,0]=4 211 B7R1.4 C1=NNC(=C1Br)N 8168 [0,1,0,0,1,0|1,0,0]=3 212 B7R1.4 CC1=C(C=NN1)Br 6719 [0,1,0,0,1,0|2,0,0]=4 213 B7R1.4 CC1=C(SC=C1)Br 5664 [0,1,0,0,1,0|2,0,0]=4 214 B7R1.4 CC1=C(SC=N1)C 5281 [0,1,0,0,1,0|2,0,0]=4 215 B7R1.4 CC1=CC=NN1C 5243 [0,1,0,0,1,0|2,0,0]=4 216 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [0,2,0,0,0,0|1,0,1]=4 218 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [0,2,0,0,0,0|1,0,1]=4 219 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [0,2,0,0,0,0|1,0,1]=4 220 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [0,2,0,0,0,0|1,0,1]=4 221 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [0,2,0,0,0,0|2,0,0]=4 225 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [0,2,0,0,0,0|1,0,0]=3 228 B9R1.1 C1=CC(=CC=C1CN)F 5139 [0,2,0,0,0,0|1,0,0]=3 229 B9R1.1 C1=CC(=CC=C1CN)O 8602 [0,2,0,0,0,0|1,0,0]=3 230 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [0,2,0,0,0,0|1,0,0]=3 232 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [0,2,0,0,0,0|1,0,0]=3 233 B9R1.1 C1=CC(=CC=C1NN)F 5594 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.1 C1=CC(=NC=C1C#N)N 9207 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.1 C1=CC(=NC=C1Cl)NN 8116 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [0,2,0,0,0,0|1,0,0]=3 237 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [0,2,0,0,0,0|1,0,1]=4 238 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.1 CC1=CC=C(C=C1)CN 9612 [0,2,0,0,0,0|1,0,0]=3 240 B9R1.1 COC1=CC=C(C=C1)Br 6813 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.1 COC1=CC=C(C=C1)F 5383 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.1 COC1=CC=C(C=C1)N 8631 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.1 COC1=CC=C(C=C1)S 8726 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.1 COC1=NC=C(C=C1)N 9999 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.1 CSC1=CC=C(C=C1)F 9086 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [0,2,0,0,0,0|1,0,0]=3 248 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [0,2,0,0,0,0|1,0,0]=3 249 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [0,2,0,0,0,0|1,0,1]=4 251 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [0,2,0,0,0,0|1,0,0]=3 254 B9R1.2 C1=CC(=CC(=C1)I)C#N 9764 [0,2,0,0,0,0|1,0,1]=4 255 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.2 C1=CC(=CC(=C1)N)C#N 6460 [0,2,0,0,0,0|1,0,0]=3 257 B9R1.2 C1=CC(=NC(=C1)Cl)NN 9591 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.2 C1=CN=C(C=C1C#N)Cl 6435 [0,2,0,0,0,0|0,0,1]=3 259 B9R1.2 C1=CN=C(C=C1CO)Br 8980 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [0,2,0,0,0,0|1,0,0]=3 261 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.2 CC1=NC(=NC=C1)SC 8077 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.2 COC1=CC(=CC=C1)F 5384 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.2 COC1=CC(=CC=C1)S 5358 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.2 COC1=CC=CC(=C1)N 9172 [0,2,0,0,0,0|1,0,0]=3 267 B9R1.2 COC1=NC(=NC=C1)Cl 8785 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.2 COc1cccc(c1)Br B0420 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.2 COc1cccc(c1)Cl C0028 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [0,2,0,0,0,0|2,0,0]=4 271 B9R1.2 CSC1=CC=CC(=C1)F 9504 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.2 CSC1=CC=CC(=C1)N 6516 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,2,0,0,0,0|1,0,0]=3 275 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,2,0,0,0,0|1,1,0]=4 276 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,2,0,0,0,0|0,0,0]=2 279 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,2,0,0,0,0|1,0,0]=3 282 B9R1.6 CN(C)C1=CC=NC=C1 5603 [0,2,0,0,0,0|0,0,0]=2 283 B9R1.6 CN(C)c1ccncc1 D0718 [0,2,0,0,0,0|0,0,0]=2 284 B9R1.6 c1cncnc1C(=O)O P8990 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.8 C1=CC=C(C=C1)CON 10183 [0,2,0,0,0,0|1,0,0]=3 288 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [0,2,0,0,0,0|1,0,1]=4 289 B9R1.8 C1=CC=NC(=C1)CCN 5251 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.8 CCCC1=CC=NC=C1 8669 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.8 c1cnccc1CCN A0195 [0,2,0,0,0,0|0,0,0]=2 292 B9R1.8 c1cnccc1CCN P0148 [0,2,0,0,0,0|0,0,0]=2 293 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [0,2,0,0,0,0|1,0,1]=4 295 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [0,2,0,0,0,0|1,0,1]=4 296 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [0,2,0,0,0,0|1,0,1]=4 297 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [0,2,0,0,0,0|1,0,1]=4 300 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.15 CC1=CC=CC=C1CO 6723 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.15 CCC1=CC=CC=C1I 6010 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.15 CCC1=CC=CC=C1S 5060 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.15 COC1=CC=CC=C1Br 6133 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.15 COC1=CC=CC=C1F 6115 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.15 COC1=CC=CC=C1I 9182 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.15 COC1=CC=CC=C1N 6674 [0,2,0,0,0,0|1,0,0]=3 319 B9R1.15 COc1ccccc1Br B0022 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.15 CSC1=CC=CC=C1N 8226 [0,2,0,0,0,0|1,0,0]=3 323 B9R1.15 CSC1=CC=CC=C1O 8029 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)Br 9840 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)F 6451 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.69 C1=C(C(=NC=C1Br)Cl)N 9545 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.69 C1=C(C(=NC=C1Cl)Cl)N 9721 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.69 C1=C(C(=NN=C1Cl)Cl)Cl 8836 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.69 C1=C(C=NC(=C1Br)N)Cl 6631 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.69 C1=C(C=NC(=C1Cl)N)Cl 8490 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.69 C1=C(C=NC(=C1F)N)F 6681 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.69 C1=C(C=NC(=C1I)N)Br 9030 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.69 C1=CC(=C(C=C1Br)Br)F 6201 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.69 C1=CC(=C(C=C1Br)Br)N 6160 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl 5098 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.69 C1=CC(=C(C=C1Br)Cl)F 5541 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.69 C1=CC(=C(C=C1Br)Cl)I 8228 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.69 C1=CC(=C(C=C1Br)F)Br 5609 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 5073 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 6178 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.69 C1=CC(=C(C=C1Br)F)F 6000 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.69 C1=CC(=C(C=C1Br)F)I 5546 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.69 C1=CC(=C(C=C1Br)F)N 5271 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.69 C1=CC(=C(C=C1Br)F)N 5547 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.69 C1=CC(=C(C=C1Br)F)O 5337 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.69 C1=CC(=C(C=C1Br)N)N 5041 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.69 C1=CC(=C(C=C1Br)N)O 8620 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.69 C1=CC(=C(C=C1Cl)Br)F 6484 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.69 C1=CC(=C(C=C1Cl)Br)N 8533 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br 6522 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F 5400 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S 6151 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.69 C1=CC(=C(C=C1Cl)F)Br 6177 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.69 C1=CC(=C(C=C1Cl)F)I 9921 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.69 C1=CC(=C(C=C1Cl)F)N 5025 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.69 C1=CC(=C(C=C1Cl)F)O 8240 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.69 C1=CC(=C(C=C1Cl)I)N 5011 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.69 C1=CC(=C(C=C1Cl)N)Br 10527 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.69 C1=CC(=C(C=C1Cl)N)F 5788 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.69 C1=CC(=C(C=C1Cl)N)N 10655 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.69 C1=CC(=C(C=C1F)Cl)Br 9301 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.69 C1=CC(=C(C=C1F)Cl)N 6049 [0,2,0,0,0,0|1,0,0]=3 364 B9R1.69 C1=CC(=C(C=C1F)Cl)S 6413 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.69 C1=CC(=C(C=C1F)F)Cl 6187 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.69 C1=CC(=C(C=C1F)F)I 8762 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.69 C1=CC(=C(C=C1F)F)N 5063 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.69 C1=CC(=C(C=C1F)F)O 10593 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.69 C1=CC(=C(C=C1F)I)N 6566 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.69 C1=CC(=C(C=C1F)N)Br 5466 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.69 C1=CC(=C(C=C1F)N)Cl 8573 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.69 C1=CC(=C(C=C1F)N)F 5391 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.69 C1=CC(=C(C=C1F)N)N 8159 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.69 C1=CC(=C(C=C1F)N)O 9491 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.69 C1=CC(=C(C=C1F)O)Br 6182 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.69 C1=CC(=C(C=C1F)O)N 5456 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.69 C1=CC(=C(C=C1I)Cl)Br 9399 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.69 C1=CC(=C(C=C1I)Cl)F 8917 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.69 C1=CC(=C(C=C1I)Cl)N 5567 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.69 C1=CC(=C(C=C1I)F)Br 6412 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.69 C1=CC(=C(C=C1I)F)F 8933 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.69 C1=CC(=C(C=C1I)F)I 8788 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.69 C1=CC(=C(C=C1I)F)N 5568 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.69 C1=CC(=C(C=C1N)Br)Cl 8804 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.69 C1=CC(=C(C=C1N)Br)F 9837 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl 6584 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.69 C1=CC(=C(C=C1N)Cl)F 6046 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.69 C1=CC(=C(C=C1N)Cl)F 9805 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.69 C1=CC(=C(C=C1N)F)F 6033 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.69 C1=CC(=C(C=C1N)F)O 6473 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.69 C1=CC(=C(C=C1O)F)Cl 6195 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.69 C1=CC(=C(C=C1O)F)F 10058 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.69 C1=CC(=C(C=C1O)N)F 8132 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.69 CC1=C(C=C(C=C1)Br)Br 8117 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=C(C=C(C=C1)Br)F 5338 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.69 CC1=C(C=C(C=C1)Br)O 8476 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.69 CC1=C(C=C(C=C1)Cl)Br 10285 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.69 CC1=C(C=C(C=C1)Cl)I 8997 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.69 CC1=C(C=C(C=C1)F)Br 9373 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.69 CC1=C(C=C(C=C1)F)N 6050 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.69 CC1=C(C=C(C=C1)N)F 6047 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.69 CC1=C(C=C(C=C1)N)O 10159 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.69 CC1=C(C=CC(=C1)Br)Br 8391 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.69 CC1=C(C=CC(=C1)Br)Cl 5543 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.69 CC1=C(C=CC(=C1)Br)F 6043 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.69 CC1=C(C=CC(=C1)Br)I 10304 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.69 CC1=C(C=CC(=C1)Br)I 6526 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=C(C=CC(=C1)Br)N 9725 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.69 CC1=C(C=CC(=C1)Br)O 5111 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=C(C=CC(=C1)Cl)Br 9792 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.69 CC1=C(C=CC(=C1)Cl)I 8729 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.69 CC1=C(C=CC(=C1)F)Br 5273 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.69 CC1=C(C=CC(=C1)F)Br 6041 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.69 CC1=C(C=CC(=C1)F)F 5294 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.69 CC1=C(C=CC(=C1)F)F 8711 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.69 CC1=C(C=CC(=C1)F)I 5554 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.69 CC1=C(C=CC(=C1)F)N 5346 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.69 CC1=C(C=CC(=C1)I)F 6231 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.69 CC1=C(C=CC(=C1)I)N 5381 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.69 CC1=C(C=CC(=C1)N)Br 10225 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.69 CC1=C(C=CC(=C1)N)F 5275 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.69 CC1=C(C=CC(=C1)O)Br 10033 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.69 CC1=C(C=CC(=C1)O)F 6307 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.69 CC1=C(C=CC(=C1)O)N 10166 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.69 CC1=C(C=CC(=N1)Cl)N 10002 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.69 CC1=C(C=CC(=N1)F)N 8257 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.69 CC1=C(C=CC(=N1)N)Br 5101 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.69 CC1=C(C=CC(=N1)N)Cl C2896 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.69 CC1=CC(=C(C=C1)Br)Cl 8156 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.69 CC1=CC(=C(C=C1)Br)F 6101 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.69 CC1=CC(=C(C=C1)Cl)Br 5106 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.69 CC1=CC(=C(C=C1)F)Br 6183 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.69 CC1=CC(=C(C=C1)F)Cl 6423 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.69 CC1=CC(=C(C=C1)F)I 6427 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.69 CC1=CC(=C(C=C1)F)N 6577 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.69 CC1=CC(=C(C=C1)F)O 5573 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.69 CC1=CC(=C(C=C1)I)Br 5051 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.69 CC1=CC(=C(C=C1)N)F 6048 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.69 CC1=CC(=C(C=C1)N)N 6659 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.69 CC1=CC(=C(C=C1)O)Cl 10579 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.69 CC1=CC(=C(C=C1)O)N 8098 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.69 CC1=CC(=C(N=C1)Br)N 8112 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.69 CC1=CC(=C(N=C1)Cl)N 8400 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.69 CC1=CC(=CN=C1Cl)N 9387 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.69 CC1=CC(=CN=C1N)Br 5024 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.69 CC1=CC(=CN=C1N)I 6628 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.69 CC1=CC(=NC=C1Br)Br 8455 [0,2,0,0,0,0|1,0,0]=3 455 B9R1.69 CC1=CC(=NN=C1Cl)Cl 6504 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.69 CC1=NC(=C(C=C1)N)Br 6720 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.69 CC1=NC(=C(C=C1)N)Cl 8825 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.69 Cc1ccc(c(c1)O)N A0481 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.69 c1cc(c(cc1Cl)N)N C0263 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.3 C1=C(C(=C(C=N1)Cl)Br)Cl 8892 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.3 C1=C(C(=C(C=N1)Cl)N)Cl 5218 [0,2,0,0,0,0|0,0,0]=2 462 B9R1.3 C1=C(C(=O)C(=CN1)Br)Br 8526 [0,2,0,0,0,0|1,0,1]=4 463 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)F 5658 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.3 C1=CC(=C(C(=C1)Br)F)Cl 5208 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.3 C1=CC(=C(C(=C1)Br)F)F 5097 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.3 C1=CC(=C(C(=C1)Br)I)Cl B0109 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.3 C1=CC(=C(C(=C1)Br)N)F 8782 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)F 8207 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S 5293 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.3 C1=CC(=C(C(=C1)Cl)F)Cl 6165 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.3 C1=CC(=C(C(=C1)Cl)F)N 5333 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.3 C1=CC(=C(C(=C1)Cl)F)N 6188 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.3 C1=CC(=C(C(=C1)Cl)F)O 5115 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.3 C1=CC(=C(C(=C1)Cl)N)Cl 5390 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F 5578 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.3 C1=CC(=C(C(=C1)F)Br)F 5329 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.3 C1=CC(=C(C(=C1)F)F)F 9474 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.3 C1=CC(=C(C(=C1)F)F)N 6062 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.3 C1=CC(=C(C(=C1)F)I)F 9527 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.3 C1=CC(=C(C(=C1)F)O)F 5418 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.3 C1=CC(=C(C(=C1)F)O)O 6478 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.3 C1=CC(=C(C(=C1)O)O)O 6821 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.3 C1=CN=C(C(=C1N)Br)Cl 10232 [0,2,0,0,0,0|0,0,0]=2 484 B9R1.3 C1=NC(=C(C(=N1)Cl)F)Cl 6745 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.3 CC1=C(C(=CC=C1)Br)F 8654 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.3 CC1=C(C(=CC=C1)C)Br 8575 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.3 CC1=C(C(=CC=C1)C)O 5710 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.3 CC1=C(C(=CC=C1)F)Br 10618 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.3 CC1=C(C(=CC=C1)F)C 6112 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.3 CC1=C(C(=CC=C1)F)F 9232 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.3 CC1=C(C(=CC=C1)N)F 5245 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.3 CC1=C(C(=NC=C1)Cl)N 5231 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.3 CC1=C(C(=O)C=CO1)O 5716 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.3 CC1=C(C=CC=C1Br)Cl 5544 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.3 CC1=C(C=CC=C1Br)F 6229 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.3 CC1=C(C=CC=C1Cl)O 8169 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.3 CC1=C(C=CC=C1F)N 10395 [0,2,0,0,0,0|1,0,0]=3 498 B9R1.3 CC1=C(C=CC=C1F)O 9587 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.3 CC1=C(C=CC=C1I)Cl 8102 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.3 c1cc(c(c(c1)Cl)I)F C0095 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.34 C1=C(C=C(C=C1Br)Br)O 8530 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.34 C1=C(C=C(C=C1Cl)Cl)F 5622 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.34 C1=C(C=C(C=C1F)Br)F 9223 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.34 C1=C(C=C(C=C1F)Cl)N 8294 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.34 C1=C(C=C(C=C1F)F)F 6040 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.34 C1=C(C=C(C=C1F)F)O 5292 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.34 C1=C(C=C(C=C1F)I)F 5458 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.34 C1=C(C=C(N=C1Cl)Cl)N 6593 [0,2,0,0,0,0|0,0,0]=2 509 B9R1.34 C1=C(N=C(N=C1Cl)N)Cl 6459 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.34 C1=C(N=C(N=C1Cl)N)N 10301 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.34 C1=C(N=C(N=C1Cl)N)N 10424 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.34 CC1=CC(=CC(=C1)Br)Br 10173 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.34 CC1=CC(=CC(=C1)Br)C 6396 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.34 CC1=CC(=CC(=C1)Br)C 8945 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.34 CC1=CC(=CC(=C1)C)C 5777 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.34 CC1=CC(=CC(=C1)I)C 9209 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.34 CC1=CC(=NC(=N1)Cl)C 9808 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.34 CC1=CC(=NC(=N1)Cl)Cl 8104 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.34 CC1=CC(=NC(=S)N1)C 6651 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.34 CC1=CC(=NC(=S)N1)C 8595 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.34 CC1=CC(=O)C=C(N1)C 6464 [0,2,0,0,0,0|1,0,1]=4 522 B7R1.24 C1C=CC=CC=C1 5911 [0,0,1,1,0,0|2,0,0]=4 523 B5R1.1 C1=CNN=C1 9931 [1,0,0,0,1,0|1,0,0]=3 524 B5R1.1 C1=CON=C1 6747 [1,0,0,0,1,0|1,0,0]=3 525 B5R1.1 c1c[nH]nc1 P0008 [1,0,0,0,1,0|1,0,0]=3