0 B10R1.15 C1=CC(=CN=C1)C(=NO)N 9520 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 CN(C)c1ccncc1 D0718 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.6 c1cncnc1C(=O)O P8990 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=S 8487 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN 9274 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl 8550 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.23 COC(=O)C1=CC(=CC=C1)I 9834 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.23 COC(=O)C1=CC(=CC=C1)O 10660 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.23 COC(=O)C1=CC(=CN=C1)Br 5020 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.23 COC(=O)C1=NC=CC(=C1)Br 9818 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl 9624 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F 8384 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O 9621 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.222 COC(=O)C1=C(C=CN=C1)N 10408 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.222 COC(=O)C1=C(C=NC=C1)Br 10681 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,1,0,0,0,0|2,0,0]=3 63 B11R2.1 C1=CC2=C(NN=C2C=C1)Br 9942 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.11 COC(=O)C1=CC=NN1 6618 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.11 COC(=O)C1=CN=CN1 10237 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.11 COC(=O)C1=NC=NN1 9739 [0,0,0,0,1,0|3,0,0]=4 68 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,1,0,0,0,0|1,1,0]=4 87 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.28 c1cc(cnc1)S(=O)(=O)O P0398 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [1,1,0,0,0,0|1,1,0]=4 127 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [1,1,0,0,0,0|0,0,0]=2 137 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [1,1,0,0,0,0|0,0,0]=2 138 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.61 CC(c1ccccc1N)O A1015 [1,1,0,0,0,0|0,0,2]=4 141 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O 10119 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [1,1,0,0,0,0|0,0,0]=2 152 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|0,0,0]=2 165 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|0,0,0]=2 167 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|0,0,0]=2 168 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.11 CCOC(=O)C1=CC=CN1 8462 [0,1,0,0,1,0|1,0,0]=3 174 B10R1.11 CCOC(=O)C1=CN=CN1 9361 [0,1,0,0,1,0|2,0,0]=4 175 B10R1.11 CCOC(=O)C1=NOC=C1 I8530 [0,1,0,0,1,0|2,0,0]=4 176 B10R1.14 COC(=O)C1=CC(=O)NO1 10528 [0,1,0,0,1,0|2,0,0]=4 177 B10R1.14 COC(=O)C1=CN=C(S1)N 6734 [0,1,0,0,1,0|2,0,0]=4 178 B10R1.149 COC(=O)C1=C(C=CS1)N 5465 [0,1,0,0,1,0|1,0,0]=3 179 B10R1.149 COC(=O)C1=C(C=CS1)O 10625 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,1,0,0,0,1|0,0,0]=2 183 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl 5581 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,1,0,0,0,1|0,0,0]=2 185 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl 8545 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N 10375 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br 10165 [0,2,0,0,0,0|0,0,0]=2 188 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F 5606 [0,2,0,0,0,0|0,0,0]=2 189 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I 5062 [0,2,0,0,0,0|0,0,0]=2 190 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N 10608 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl 10437 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.17 C1=CC(=CC(=C1)Cl)C(=O)N=C=S 8922 [0,2,0,0,0,0|1,0,1]=4 193 B12R1.17 CC1=CC=CC(=C1)C(=O)CC#N 8835 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.17 CC1=CC=CC(=C1)C(=O)N=C=S 8427 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F 6293 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.17 CCOC(=O)C1=CC(=CC=C1)I 5004 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br 6634 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.30 CCCOC(=O)C1=CC=CC=C1 5507 [0,2,0,0,0,0|0,0,0]=2 199 B12R1.308 C1=CC=C(C(=C1)C(=O)N=C=S)Cl 6109 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N 8872 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 5514 [0,2,0,0,0,0|0,0,0]=2 202 B12R1.308 CCOC(=O)C1=CC=CC=C1F 5379 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.308 CCOC(=O)C1=CC=CC=C1I 8646 [0,2,0,0,0,0|0,0,0]=2 204 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr 9861 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F 5961 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O 8802 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F 6217 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)N 9360 [0,2,0,0,0,0|0,0,0]=2 209 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F 6408 [0,2,0,0,0,0|0,0,0]=2 210 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N 6770 [0,2,0,0,0,0|0,0,0]=2 211 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)F 5696 [0,2,0,0,0,0|0,0,0]=2 212 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)N 8012 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N 9546 [0,2,0,0,0,0|0,0,0]=2 214 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl 9613 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN 9582 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,2,0,0,0,0|0,0,0]=2 217 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl 5266 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl 5134 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O 8269 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.1703 COC(=O)C1=CN=C(C=C1Cl)Cl 9009 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.24 CC1=CC=CC(=C1N)C(=O)OC 6685 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.354 C1=CC(=C(C=C1F)C(=O)CCl)F 6828 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.354 CC1=CC(=C(C=C1)I)C(=O)OC 9871 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC 9670 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)N 10459 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N 6816 [0,2,0,0,0,0|0,0,0]=2 227 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)Br 5256 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl 8244 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl 8135 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.358 COC(=O)C1=CC(=NC(=C1)Cl)Cl 8871 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.358 COC(=O)C1=CC(=NC(=N1)Cl)Cl 10386 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.435 COC(=O)C1=CC(=CC=C1)CBr 9622 [0,2,0,0,0,0|0,0,0]=2 233 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N 9191 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.564 C1=CC=C(C=C1)C(=O)C(F)(F)F 10043 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)O 5517 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.77 COC(=O)C1=CC=CC=C1C=O 9112 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.77 COC(=O)C1=CC=CC=C1CN 10599 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.3441 COC(=O)C1=C(C=CC=C1F)F 8211 [0,2,0,0,0,0|0,0,0]=2 239 B10R1.172 COC1=CC=CC(=N1)C=O 8456 [0,0,1,1,0,0|2,0,0]=4 240 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,1,0,0|2,0,0]=4 241 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,1]=4 242 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,0,0,1,0,1|2,0,0]=4 243 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,0,0,1,0,1|2,0,0]=4 244 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 8254 [0,1,0,1,0,0|1,0,1]=4 246 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,1,0,1,0,0|1,0,0]=3 247 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 5709 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|1,0,0]=3 249 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|1,0,0]=3 250 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,1,0,1,0,0|0,0,0]=2 251 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F 9344 [0,1,0,1,0,0|1,0,0]=3 252 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 5495 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 B1144 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [1,0,0,0,1,0|2,0,0]=4 255 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,0,0,0,1,0|2,0,0]=4 256 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [1,0,0,0,1,0|2,0,0]=4 257 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [1,0,0,0,1,0|2,0,0]=4 258 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,1,0|1,0,0]=3 259 B8R1.7 C1=CON=C1C(=O)O I8529 [1,0,0,0,1,0|2,0,0]=4 260 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,0,0,0,1,0|1,0,0]=3 261 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,0,0,0,1,0|1,0,1]=4 262 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [1,0,0,0,1,0|2,0,0]=4 263 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,0,0,0,1,0|1,0,0]=3 264 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,0,0,0,1,0|1,0,0]=3 265 B8R1.7 CC(=O)C1=NC=CS1 10337 [1,0,0,0,1,0|2,0,0]=4 266 B12R1.27 COC(=O)C=Cc1ccccn1 P1249 [0,0,0,0,0,2|1,0,0]=3 267 B12R1.27 COC(=O)COC1=CC=CC=C1 5583 [0,0,0,0,0,2|0,0,0]=2 268 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 9784 [0,0,0,0,0,2|0,0,0]=2