0 B11R2.1 C1=CC2=C(NN=C2C=C1)Br 9942 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 c1ccn2c(c1)nnc2N T2938 [0,0,0,0,0,0|4,0,0]=4 2 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [1,0,0,0,0,0|3,0,0]=4 3 B10R2.7 C1=CC2=NC=CN2C=C1 8887 [1,0,0,0,0,0|3,0,0]=4 4 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,0,0,0|2,0,0]=3 5 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [1,0,0,0,0,0|3,0,0]=4 6 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,0,0,0|1,0,1]=3 7 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F 9344 [0,1,0,0,0,0|1,0,0]=2 12 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 5495 [0,1,0,0,0,0|1,0,0]=2 13 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl 6233 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 B1144 [0,1,0,0,0,0|1,0,0]=2 15 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,0,0,0|1,0,0]=2 16 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,0,0,0|1,0,0]=2 17 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,1,0,0,0,0|0,0,0]=1 18 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 5709 [0,1,0,0,0,0|1,0,1]=3 19 B12R2.2028 C1=CN=CC2=C1C(=O)NC2=O 9716 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [0,0,1,0,0,0|1,0,0]=2 24 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,0,1,0,0,0|1,0,0]=2 25 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [0,0,1,0,0,0|1,1,1]=4 27 B10R1.20 C1=CC=C(C(=C1)C=O)C#N 8643 [0,0,1,0,0,0|1,0,1]=3 28 B10R1.20 CCC1=CC=CC=C1NN 10327 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [0,0,1,0,0,0|1,0,1]=3 31 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,0,1,0,0,0|2,0,0]=3 36 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,0,1,0,0,0|2,0,0]=3 37 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,0,1,0,0,0|2,0,0]=3 40 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,0,1,0,0,0|2,0,0]=3 41 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,0,1,0,0,0|1,0,0]=2 42 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,0,1,0,0,0|1,0,0]=2 43 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,0,1,0,0,0|1,0,0]=2 44 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,0,1,0,0,0|2,1,0]=4 45 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,0,1,0,0,0|2,0,0]=3 47 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,0,1,0,0,0|2,0,0]=3 48 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,0,1,0,0,0|2,0,0]=3 50 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,0,1,0,0,0|2,0,0]=3 51 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,0,1,0,0,0|2,0,0]=3 52 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,0,1,0,0,0|2,0,0]=3 54 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,0,1,0,0,0|2,0,0]=3 55 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,0,1,0,0,0|2,0,0]=3 56 B10R1.61 CC(c1ccccc1N)O A1015 [0,0,1,0,0,0|2,0,1]=4 57 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,0,1,0,0,0|1,0,0]=2 58 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,0,1,0,0,0|3,0,0]=4 59 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [0,0,0,0,0,1|3,0,0]=4 60 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [0,0,0,0,0,1|2,0,1]=4 61 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [0,0,0,0,0,1|1,0,2]=4 62 B12R2.1081 C1=CC=C2C(=C1)C(=NC=N2)N Q1259 [0,0,0,0,0,1|2,0,1]=4 63 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 8254 [0,0,0,0,0,1|1,0,1]=3 64 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F 5357 [0,0,0,0,0,1|2,0,1]=4 65 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N 10679 [0,0,0,0,0,1|2,0,1]=4 66 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,0,0,0,0,1|1,0,0]=2 67 B12R2.1081 CC1=CC=NC2=CC=CC=C12 9629 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,1,0,0,0|0,0,0]=2 69 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,1,0,0,0|1,1,0]=4 70 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,1,0,0,0|1,0,0]=3 72 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,1,0,0,0|1,0,0]=3 77 B9R1.6 c1cncnc1C(=O)O P8990 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,1,0,0,0|1,0,1]=4 79 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,1,0,0,0|1,0,1]=4 80 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,1,0,0,0|1,0,0]=3 81 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [1,0,1,0,0,0|1,0,1]=4 84 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [1,0,1,0,0,0|0,0,0]=2 85 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [1,0,1,0,0,0|2,0,0]=4 89 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [1,0,1,0,0,0|2,0,0]=4 90 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [1,0,1,0,0,0|1,0,0]=3 91 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [1,0,1,0,0,0|1,0,0]=3 92 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [1,0,1,0,0,0|0,0,1]=3 93 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [1,0,1,0,0,0|0,0,1]=3 94 B9R1.15 CC1=CC=CC=C1CO 6723 [1,0,1,0,0,0|0,0,1]=3 95 B9R1.15 CCC1=CC=CC=C1I 6010 [1,0,1,0,0,0|2,0,0]=4 96 B9R1.15 CCC1=CC=CC=C1S 5060 [1,0,1,0,0,0|1,1,0]=4 97 B9R1.15 CSC1=CC=CC=C1O 8029 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=S 8487 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [0,1,1,0,0,0|1,0,0]=3 101 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,1,1,0,0,0|0,0,0]=2 111 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,1,1,0,0,0|1,0,0]=3 112 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,1,1,0,0,0|1,0,0]=3 113 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN 9274 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [0,1,1,0,0,0|1,0,0]=3 116 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl 8550 [0,1,1,0,0,0|0,0,0]=2 117 B11R1.23 COC(=O)C1=CC(=CC=C1)I 9834 [0,1,1,0,0,0|0,0,0]=2 118 B11R1.23 COC(=O)C1=CC(=CC=C1)O 10660 [0,1,1,0,0,0|0,0,0]=2 119 B11R1.23 COC(=O)C1=CC(=CN=C1)Br 5020 [0,1,1,0,0,0|1,0,0]=3 120 B11R1.23 COC(=O)C1=NC=CC(=C1)Br 9818 [0,1,1,0,0,0|1,0,0]=3 121 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl 9624 [0,1,1,0,0,0|1,0,0]=3 122 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F 8384 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O 9621 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,1,1,0,0,0|1,0,0]=3 126 B11R1.222 COC(=O)C1=C(C=CN=C1)N 10408 [0,1,1,0,0,0|1,0,0]=3 127 B11R1.222 COC(=O)C1=C(C=NC=C1)Br 10681 [0,1,1,0,0,0|1,0,0]=3 128 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [0,1,1,0,0,0|1,0,0]=3 129 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,1,1,0,0,0|0,0,0]=2 130 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.28 C1=CC=C(C=C1)CCN=C=O 10538 [0,1,1,0,0,0|1,0,1]=4 132 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.91 c1ccnc(c1)CCC(=O)O P1251 [0,1,1,0,0,0|2,0,0]=4 135 B11R1.91 c1cnccc1CCC(=O)O P1258 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.37 COC1=C(C=CC(=C1)O)C=O 5482 [0,1,1,0,0,0|2,0,0]=4 137 B11R1.53 B(C1=CC=CC=C1C=O)(O)O 5373 [0,1,1,0,0,0|1,0,0]=3 138 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.53 CSC1=CC=CC=C1C(=O)O 9495 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.265 COC1=C(C(=CC=C1)F)C=O 9347 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)Cl 6567 [0,1,1,0,0,0|1,0,0]=3 142 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)F 6241 [0,1,1,0,0,0|1,0,0]=3 143 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)Cl 5394 [0,1,1,0,0,0|1,0,0]=3 144 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F 5099 [0,1,1,0,0,0|1,0,0]=3 145 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F 5353 [0,1,1,0,0,0|1,0,0]=3 146 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F 6208 [0,1,1,0,0,0|2,0,0]=4 147 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F 5615 [0,1,1,0,0,0|2,0,0]=4 148 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N 5439 [0,1,1,0,0,0|2,0,0]=4 149 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)N 5048 [0,1,1,0,0,0|1,0,0]=3 150 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O 6300 [0,1,1,0,0,0|1,0,0]=3 151 B11R1.156 C1=CN=C(C(=C1Cl)C(=O)O)Cl 10555 [0,1,1,0,0,0|2,0,0]=4 152 B11R1.156 CC(=O)C1=C(C=CC=C1Cl)F 5981 [0,1,1,0,0,0|2,0,0]=4 153 B11R1.156 CC(=O)C1=C(C=CC=C1F)F 5605 [0,1,1,0,0,0|2,0,0]=4 154 B11R1.156 CC(=O)C1=C(C=CC=C1O)O 6860 [0,1,1,0,0,0|2,0,0]=4 155 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N 6850 [0,1,1,0,0,0|1,0,0]=3 156 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)O 9895 [0,1,1,0,0,0|0,0,0]=2 157 B11R1.156 CC1=C(C(=CC=C1)N)C(=O)O 10650 [0,1,1,0,0,0|0,0,0]=2 158 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)C(=O)O 8609 [0,1,1,0,0,0|1,0,0]=3 159 B11R1.159 C1=CC(=C(C(=C1)Br)F)C(=O)O 6242 [0,1,1,0,0,0|1,0,0]=3 160 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)O 8360 [0,1,1,0,0,0|1,0,0]=3 161 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O 8329 [0,1,1,0,0,0|1,0,0]=3 162 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O 5124 [0,1,1,0,0,0|1,0,0]=3 163 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O 10136 [0,1,1,0,0,0|1,0,0]=3 164 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O 10409 [0,1,1,0,0,0|1,0,0]=3 165 B11R1.159 C1=CN=C(C(=C1C(=O)O)F)Cl 6481 [0,1,1,0,0,0|2,0,0]=4 166 B11R1.159 CC(=O)C1=C(C(=CC=C1)F)F 9780 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O 6667 [0,1,1,0,0,0|2,0,0]=4 168 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O 8705 [0,1,1,0,0,0|0,0,0]=2 169 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] 8133 [0,1,1,0,0,0|1,0,1]=4 170 B11R1.159 CC1=C(C=CC=C1Cl)C(=O)O 5119 [0,1,1,0,0,0|0,0,0]=2 171 B11R1.159 CC1=C(C=CC=C1F)C(=O)[O-] 5368 [0,1,1,0,0,0|0,0,1]=3 172 B11R1.159 CC1=C(C=CC=C1F)[N+](=O)[O-] 9509 [0,1,1,0,0,0|1,0,1]=4 173 B11R1.159 CC1=C(C=CC=C1O)C(=O)O 10009 [0,1,1,0,0,0|0,0,0]=2 174 B11R1.159 CC1=CC=CC(=C1Br)C(=O)O 5552 [0,1,1,0,0,0|1,0,0]=3 175 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O 9214 [0,1,1,0,0,0|1,0,0]=3 176 B11R1.159 CC1=CC=CC(=C1I)C(=O)O 6863 [0,1,1,0,0,0|1,0,0]=3 177 B11R1.159 CC1=CC=CC(=C1N)C(=O)O 6598 [0,1,1,0,0,0|1,0,0]=3 178 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,1,1,0,0,0|2,0,0]=4 179 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,1,1,0,0,0|1,0,0]=3 182 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,1,1,0,0,0|1,0,0]=3 183 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,1,1,0,0,0|1,0,0]=3 184 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,1,1,0,0,0|1,0,0]=3 185 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,1,1,0,0,0|1,0,0]=3 186 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,1,1,0,0,0|1,0,0]=3 187 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,1,1,0,0,0|1,0,0]=3 188 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,1,1,0,0,0|1,0,0]=3 189 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,1,1,0,0,0|1,0,0]=3 190 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,1,1,0,0,0|1,0,0]=3 192 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,1,1,0,0,0|2,0,0]=4 194 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,1,1,0,0,0|1,0,0]=3 195 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [0,1,1,0,0,0|1,0,1]=4 196 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,1,1,0,0,0|1,0,0]=3 197 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,1,1,0,0,0|1,0,0]=3 198 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,1,1,0,0,0|1,0,0]=3 199 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,1,0,0,0|0,0,0]=2 203 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,1,0,0,0|0,0,0]=2 204 B11R1.166 CC1=C(C=CC(=C1)F)[N+](=O)[O-] 6095 [0,1,1,0,0,0|1,0,1]=4 205 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,1,0,0,0|0,0,0]=2 206 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,1,0,0,0|1,0,0]=3 207 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,1,0,0,0|1,0,0]=3 208 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,1,0,0,0|1,0,0]=3 209 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.167 B(C1=C(C=CC(=C1)C)C)(O)O 8553 [0,1,1,0,0,0|1,0,1]=4 211 B11R1.167 C1=C(C(=NC=C1F)Cl)C(=O)O 9339 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O 8259 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)Cl 5334 [0,1,1,0,0,0|1,0,0]=3 214 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)I 8491 [0,1,1,0,0,0|1,0,0]=3 215 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 5476 [0,1,1,0,0,0|1,0,0]=3 216 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 6519 [0,1,1,0,0,0|1,0,0]=3 217 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)O 8508 [0,1,1,0,0,0|1,0,0]=3 218 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F 6251 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)F 9892 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 10376 [0,1,1,0,0,0|1,0,0]=3 221 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 5046 [0,1,1,0,0,0|1,0,0]=3 222 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5072 [0,1,1,0,0,0|1,0,0]=3 223 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5344 [0,1,1,0,0,0|1,0,0]=3 224 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F 5161 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br 8351 [0,1,1,0,0,0|1,0,0]=3 226 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)F 6069 [0,1,1,0,0,0|1,0,0]=3 227 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)N 6138 [0,1,1,0,0,0|1,0,0]=3 228 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Br 5274 [0,1,1,0,0,0|1,0,0]=3 229 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)I 9722 [0,1,1,0,0,0|1,0,0]=3 230 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F 9459 [0,1,1,0,0,0|1,0,0]=3 231 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)N 8634 [0,1,1,0,0,0|1,0,0]=3 232 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F 10631 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)Cl 8109 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)Cl 9377 [0,1,1,0,0,0|2,0,0]=4 235 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F 5604 [0,1,1,0,0,0|2,0,0]=4 236 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O 10507 [0,1,1,0,0,0|2,0,0]=4 237 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O 9714 [0,1,1,0,0,0|0,0,0]=2 238 B11R1.167 CC1=C(C=C(C=C1)Cl)C(=O)O 9462 [0,1,1,0,0,0|0,0,0]=2 239 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl 6306 [0,1,1,0,0,0|1,0,0]=3 240 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6092 [0,1,1,0,0,0|0,0,0]=2 241 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6093 [0,1,1,0,0,0|0,0,0]=2 242 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] 6224 [0,1,1,0,0,0|1,0,1]=4 243 B11R1.167 CC1=C(C=C(C=C1)N)[N+](=O)[O-] 8408 [0,1,1,0,0,0|1,0,1]=4 244 B11R1.167 CC1=C(C=C(C=C1)O)C(=O)O 9407 [0,1,1,0,0,0|0,0,0]=2 245 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O 8528 [0,1,1,0,0,0|1,0,0]=3 246 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O 5026 [0,1,1,0,0,0|1,0,0]=3 247 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 5607 [0,1,1,0,0,0|1,0,0]=3 248 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 6864 [0,1,1,0,0,0|1,0,0]=3 249 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)O 5694 [0,1,1,0,0,0|1,0,0]=3 250 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,1,0,0,0,0|1,0,1]=4 251 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [1,1,0,0,0,0|2,0,0]=4 252 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [1,1,0,0,0,0|2,0,0]=4 253 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,1,0,0,0,0|2,0,0]=4 254 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 10604 [1,1,0,0,0,0|2,0,0]=4 255 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 6492 [1,1,0,0,0,0|2,0,0]=4 256 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl 10638 [1,1,0,0,0,0|2,0,0]=4 257 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [1,1,0,0,0,0|2,0,0]=4 258 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [1,1,0,0,0,0|2,0,0]=4 259 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 6671 [1,1,0,0,0,0|2,0,0]=4 260 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 5089 [1,1,0,0,0,0|2,0,0]=4 261 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl 6668 [1,1,0,0,0,0|2,0,0]=4 262 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [1,1,0,0,0,0|2,0,0]=4 263 B11R2.36 C1=CC2=C(C=CN2)C=C1I 10534 [1,1,0,0,0,0|2,0,0]=4 264 B11R2.36 C1=CC2=C(C=CN2)C=C1N 9468 [1,1,0,0,0,0|2,0,0]=4 265 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [1,1,0,0,0,0|2,0,0]=4 266 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [1,1,0,0,0,0|2,0,0]=4 267 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [1,1,0,0,0,0|2,0,0]=4 268 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [1,1,0,0,0,0|2,0,0]=4 269 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [1,1,0,0,0,0|2,0,0]=4 270 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 6463 [1,1,0,0,0,0|2,0,0]=4 271 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Br 8233 [1,1,0,0,0,0|2,0,0]=4 272 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl 8597 [1,1,0,0,0,0|2,0,0]=4 273 B11R2.106 C1=CC2=C(C=CN2)C(=C1)N 8034 [1,1,0,0,0,0|2,0,0]=4 274 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O 9531 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O 8638 [0,1,0,0,0,1|1,0,1]=4 276 B13R2.342 C1CC2=C(C=CC=C2O)C(=O)C1 9190 [0,1,0,0,0,1|1,0,0]=3 277 B13R2.342 C1CC2=C(C=CC=C2O)C(=O)C1 9869 [0,1,0,0,0,1|1,0,0]=3 278 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C=O 8859 [0,1,0,0,0,1|1,0,1]=4 279 B13R2.2136 C1=CC2=C(C=C1Br)C(=CN2)C=O 8853 [0,2,0,0,0,0|2,0,0]=4 280 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 6717 [0,2,0,0,0,0|2,0,0]=4 281 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 6054 [0,2,0,0,0,0|2,0,0]=4 282 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 6400 [0,2,0,0,0,0|2,0,0]=4 283 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 M0149 [0,2,0,0,0,0|2,0,0]=4 284 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)O 5091 [0,2,0,0,0,0|1,0,1]=4 285 B13R2.4825 C1=CC2=C(C(=C1)F)NC(=O)C2=O 8910 [0,2,0,0,0,0|2,0,0]=4 286 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 9454 [0,2,0,0,0,0|2,0,0]=4 287 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [0,2,0,0,0,0|2,0,0]=4 288 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [0,2,0,0,0,0|2,0,0]=4 289 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)OC2=O 5718 [0,2,0,0,0,0|0,0,1]=3 290 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)OC2=O 6422 [0,2,0,0,0,0|0,0,1]=3 291 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 10367 [0,2,0,0,0,0|0,0,1]=3 292 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 9896 [0,2,0,0,0,0|0,0,1]=3 293 B13R2.4857 C1=CC2=C(C(=C1)F)C(=O)OC2=O 9907 [0,2,0,0,0,0|0,0,1]=3 294 B13R2.11642 C1CC(=O)C2=C1C=C(C=C2F)F D1892 [0,2,0,0,0,0|1,0,0]=3 295 B13R2.11642 c1c(cc(c2c1CCC2=O)Br)Br D2987 [0,2,0,0,0,0|1,0,0]=3 296 B13R2.11642 c1c(cc(c2c1CCC2=O)Cl)Cl D1890 [0,2,0,0,0,0|1,0,0]=3 297 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 8410 [0,2,0,0,0,0|0,0,0]=2 298 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,0,1,0,1,0|2,0,0]=4 299 B9R1.11 COC(=O)C1=CC=NN1 6618 [0,0,1,0,1,0|2,0,0]=4 300 B9R1.11 COC(=O)C1=CN=CN1 10237 [0,0,1,0,1,0|2,0,0]=4 301 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [0,0,1,0,1,0|2,0,0]=4 302 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [0,0,1,0,1,0|2,0,0]=4 303 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [0,0,1,0,1,0|2,0,0]=4 304 B9R1.41 Cc1ccoc1C(=O)O M0024 [0,0,1,0,1,0|1,0,0]=3 305 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [0,0,1,0,0,1|1,0,0]=3 306 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [0,0,1,0,0,1|1,0,0]=3 307 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,0,1,0,0,1|0,0,0]=2 308 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [0,0,1,0,0,1|1,1,0]=4