0 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,0,0,0,0,0|1,1,2]=4 3 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 c1cc2c(cc1Br)[nH]nc2N H34095 [0,0,0,0,0,0|1,1,0]=2 5 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 c1cc2c(cc1N)[nH]nc2Cl H61445 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 B1(c2ccccc2CO1)O L15192 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 Cc1c2cccnc2[nH]n1 H61397 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 Cc1csc2c1cccc2 A15772 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 Cn1c2ccccc2nn1 L00297 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.1 c1cc2c(c[nH]c2nc1)Br H66137 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 c1cc2c(c[nH]c2nc1)I H59457 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,0,0,0|0,0,2]=3 20 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.1 c1ccc2c(c1)COC2=O A15516 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [1,0,0,0,0,0|1,0,2]=4 24 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [1,0,0,0,0,0|1,0,2]=4 25 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.1 c1ccn2c(c1)nnc2N H58980 [1,0,0,0,0,0|2,0,1]=4 31 B11R2.1 c1ccn2c(c1)nnc2S H32694 [1,0,0,0,0,0|1,1,1]=4 32 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.36 Cc1ccc2c(c1)nn[nH]2 A10615 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.36 Cc1ccc2cc[nH]c2c1 L17509 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.36 c1cc(cc2c1cc[nH]2)Br L17703 [1,0,0,0,0,0|1,1,0]=3 36 B11R2.36 c1cc(cc2c1cc[nH]2)Cl B23650 [1,0,0,0,0,0|1,1,0]=3 37 B11R2.36 c1cc(cc2c1cc[nH]2)F B24633 [1,0,0,0,0,0|1,0,0]=2 38 B11R2.36 c1cc(cc2c1cc[nH]2)N L17793 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.36 c1cc(nc2c1cc[nH]2)Br H66863 [1,0,0,0,0,0|2,1,0]=4 41 B11R2.36 c1cc(nc2c1cc[nH]2)Cl H66655 [1,0,0,0,0,0|2,1,0]=4 42 B11R2.36 c1cc2c(cc1Br)cn[nH]2 H54673 [1,0,0,0,0,0|2,1,0]=4 43 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.36 c1cc2c(cc1F)cn[nH]2 H26033 [1,0,0,0,0,0|2,0,0]=3 45 B11R2.36 c1cc2c(cc1N)cn[nH]2 L06705 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.36 c1cc2c(cc1N)nn[nH]2 L06660 [1,0,0,0,0,0|2,0,1]=4 47 B11R2.36 c1cc2c(cc[nH]2)cc1F A15346 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.36 c1cc2cn[nH]c2cc1Br H32623 [1,0,0,0,0,0|0,1,0]=2 49 B11R2.36 c1cc2cn[nH]c2cc1Cl H37529 [1,0,0,0,0,0|0,1,0]=2 50 B13R2.662 Cc1ccc2c(c1)[nH]cc2C=O L17508 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.662 c1cc2c(cc1Br)[nH]cc2C=O H66756 [0,1,0,0,0,0|1,1,1]=4 52 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C=O H61911 [0,1,0,0,0,0|1,1,1]=4 53 B13R2.662 c1cc2c(cc1F)[nH]cc2C=O H61665 [0,1,0,0,0,0|1,0,1]=3 54 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O B21352 [0,1,0,0,0,0|2,0,1]=4 55 B13R2.11642 c1c(cc(c2c1CCC2=O)F)F H54002 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,0,1,0,0,0|2,0,1]=4 57 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,0,1,0,0,0|1,0,2]=4 58 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,0,1,0,0,0|2,0,1]=4 59 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,0,1,0,0,0|1,0,2]=4 60 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,0,1,0,0,0|3,0,0]=4 61 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,0,1,0,0,0|2,0,1]=4 62 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,0,1,0,0,0|2,0,1]=4 63 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,0,1,0,0,0|2,0,1]=4 64 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,0,1,0,0,0|1,1,1]=4 65 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,0,1,0,0,0|0,1,2]=4 66 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,0,1,0,0,0|0,1,2]=4 67 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,0,1,0,0,0|0,0,2]=3 68 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,0,1,0,0,0|1,0,2]=4 69 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,0,1,0,0,0|1,0,2]=4 70 B11R1.22 c1cc(ccc1\C(=N\O)\N)F H66567 [0,0,1,0,0,0|2,0,0]=3 71 B11R1.22 c1cc(ccc1\C(=N\O)\N)N H51788 [0,0,1,0,0,0|3,0,0]=4 72 B11R1.22 c1cc(ccc1\C(=N\O)\N)O H52148 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.37 COc1cc(ccc1C=O)F H26091 [0,0,1,0,0,0|2,0,1]=4 74 B11R1.166 B(c1ccc(cc1C)F)(O)O B24117 [0,0,1,0,0,0|3,0,0]=4 75 B11R1.166 B(c1ccc(cc1Cl)F)(O)O H27591 [0,0,1,0,0,0|3,0,0]=4 76 B11R1.166 B(c1ccc(cc1F)F)(O)O B23821 [0,0,1,0,0,0|3,0,0]=4 77 B11R1.166 B(c1ccc(cc1O)F)(O)O H53304 [0,0,1,0,0,0|3,0,0]=4 78 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,0,1,0,0,0|2,0,1]=4 79 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,0,1,0,0,0|2,0,1]=4 80 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,0,1,0,0,0|2,0,1]=4 81 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.166 CC(c1ccc(cc1Cl)F)O H31958 [0,0,1,0,0,0|2,0,1]=4 83 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,0,1,0,0,0|2,0,1]=4 84 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,0,1,0,0,0|2,1,0]=4 85 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,0,1,0,0,0|2,1,0]=4 86 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,0,1,0,0,0|2,0,0]=3 87 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,0,1,0,0,0|3,0,0]=4 88 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,0,1,0,0,0|3,0,0]=4 89 B11R1.166 Cc1cc(ccc1C(=S)N)F H33221 [0,0,1,0,0,0|1,1,1]=4 90 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,0,1,0,0,0|3,0,0]=4 92 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,0,1,0,0,0|3,0,0]=4 93 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,0,1,0,0,0|3,0,0]=4 94 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,0,1,0,0,0|3,0,0]=4 95 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,0,1,0,0,0|2,1,0]=4 96 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,0,1,0,0,0|2,1,0]=4 97 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,0,1,0,0,0|2,1,0]=4 98 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,0,1,0,0,0|1,1,0]=3 99 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,0,1,0,0,0|2,1,0]=4 100 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,0,1,0,0,0|2,1,0]=4 101 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,0,1,0,0,0|2,1,0]=4 102 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,0,1,0,0,0|1,1,0]=3 103 B11R1.166 c1cc(c(cc1Cl)N)C(=S)N H52249 [0,0,1,0,0,0|0,2,1]=4 104 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,0,1,0,0,0|2,1,0]=4 105 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,0,1,0,0,0|1,0,2]=4 106 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,0,1,0,0,0|2,0,0]=3 107 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,0,1,0,0,0|2,0,0]=3 109 B11R1.166 c1cc(c(cc1F)Cl)C(=S)N H32001 [0,0,1,0,0,0|1,1,1]=4 110 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,0,1,0,0,0|2,0,1]=4 111 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,0,1,0,0,0|1,0,2]=4 112 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,0,1,0,0,0|2,0,0]=3 113 B11R1.166 c1cc(c(cc1F)F)C(=S)N H26758 [0,0,1,0,0,0|1,1,1]=4 114 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,0,1,0,0,0|2,0,0]=3 115 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,0,1,0,0,0|1,0,0]=2 116 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] H61806 [0,0,1,0,0,0|2,0,1]=4 117 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,0,1,0,0,0|2,0,0]=3 118 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,0,1,0,0,0|3,0,0]=4 122 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [0,0,0,0,0,1|3,0,0]=4 123 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [0,0,0,0,0,1|2,1,0]=4 124 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [0,0,0,0,0,1|3,0,0]=4 125 B13R2.5179 c1cc2c(cc1Br)CN=NC2=O H65609 [0,0,0,0,0,1|0,1,2]=4 126 B13R2.5179 c1cc2c(cc1F)OCCC2=O H31881 [0,0,0,0,0,1|2,0,1]=4 127 B13R2.5179 c1cc2c(ccnc2cc1Cl)O L07119 [0,0,0,0,0,1|1,1,1]=4 128 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.1 c1cc(ccc1CCN)F H61791 [1,0,1,0,0,0|1,0,1]=4 130 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [1,0,1,0,0,0|2,0,0]=4 131 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,0,1,0,0,0|2,0,0]=4 132 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,0,1,0,0,0|1,0,1]=4 133 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,0,1,0,0,0|1,0,1]=4 134 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,0,1,0,0,0|1,0,1]=4 135 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,0,1,0,0,0|1,0,1]=4 136 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,0,1,0,0,0|1,0,1]=4 137 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,0,1,0,0,0|1,0,1]=4 138 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,0,1,0,0,0|2,0,0]=4 139 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,0,1,0,0,0|1,1,0]=4 140 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,0,1,0,0,0|1,1,0]=4 141 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,0,1,0,0,0|1,1,0]=4 142 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,0,1,0,0,0|1,0,0]=3 143 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,0,1,0,0,0|2,0,0]=4 144 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,0,1,0,0,0|2,0,0]=4 145 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [1,0,1,0,0,0|1,0,1]=4 146 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,0,1,0,0,0|0,1,1]=4 147 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,0,1,0,0,0|0,1,1]=4 148 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,0,1,0,0,0|0,0,1]=3 149 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,0,1,0,0,0|1,0,1]=4 150 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,0,1,0,0,0|1,0,1]=4 151 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [1,0,1,0,0,0|1,1,0]=4 152 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [1,0,1,0,0,0|1,1,0]=4 153 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [1,0,1,0,0,0|1,0,0]=3 154 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [1,0,1,0,0,0|1,1,0]=4 155 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,0,1,0,0,0|0,2,0]=4 158 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,0,1,0,0,0|0,2,0]=4 159 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,0,1,0,0,0|0,1,0]=3 160 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,0,1,0,0,0|1,1,0]=4 161 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,0,1,0,0,0|1,1,0]=4 162 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,0,1,0,0,0|2,0,0]=4 165 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,0,1,0,0,0|1,0,1]=4 166 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,0,1,0,0,0|0,0,2]=4 167 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,0,1,0,0,0|1,0,1]=4 168 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,0,1,0,0,0|1,0,1]=4 169 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.10 Cc1cccc(c1)NC=O B24061 [1,0,1,0,0,0|1,0,1]=4 172 B10R1.10 c1cc(cc(c1)Br)\C=N\O B25181 [1,0,1,0,0,0|1,1,0]=4 173 B10R1.10 c1cc(cc(c1)F)N=C=O L01496 [1,0,1,0,0,0|0,0,2]=4 174 B10R1.10 c1cc(cc(c1)F)N=C=S B25001 [1,0,1,0,0,0|0,1,1]=4 175 B10R1.17 C=CCNc1ccccc1 H55821 [1,0,1,0,0,0|2,0,0]=4 176 B10R1.17 c1ccc(cc1)NCCO B22131 [1,0,1,0,0,0|1,0,1]=4 177 B10R1.25 COc1ccc(cc1N)F H32525 [1,0,1,0,0,0|2,0,0]=4 178 B10R1.25 Cc1cc(ccc1C=O)F H26266 [1,0,1,0,0,0|1,0,1]=4 179 B10R1.25 Cc1cc(ccc1CO)F H32364 [1,0,1,0,0,0|1,0,1]=4 180 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [1,0,1,0,0,0|1,0,1]=4 181 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [1,0,1,0,0,0|1,0,1]=4 182 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [1,0,1,0,0,0|1,0,1]=4 183 B10R1.25 c1cc(c(cc1F)F)CO A19945 [1,0,1,0,0,0|1,0,1]=4 184 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [1,0,1,0,0,0|1,0,1]=4 185 B10R1.30 COc1cc(ccc1O)F B22211 [1,0,1,0,0,0|2,0,0]=4 186 B10R1.30 Cc1ccc(cc1NN)F L09362 [1,0,1,0,0,0|0,0,2]=4 187 B10R1.30 c1cc(c(cc1F)C=O)O 43844 [1,0,1,0,0,0|2,0,0]=4 188 B10R1.30 c1cc(c(cc1F)C=O)O B25724 [1,0,1,0,0,0|2,0,0]=4 189 B10R1.30 c1cc(c(cc1F)NN)F B21259 [1,0,1,0,0,0|1,0,1]=4 190 B10R1.30 c1cc(c(cc1F)NN)F L10359 [1,0,1,0,0,0|1,0,1]=4 191 B10R1.61 B(c1ccccc1N)(O)O L18069 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.61 CC(=O)c1ccccc1N A10895 [1,0,1,0,0,0|1,0,1]=4 193 B10R1.61 Cc1ccccc1C(=O)O A13856 [1,0,1,0,0,0|2,0,0]=4 194 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [1,0,1,0,0,0|2,0,0]=4 195 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [1,0,1,0,0,0|2,0,0]=4 196 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [1,0,1,0,0,0|0,0,2]=4 197 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [1,0,1,0,0,0|2,0,0]=4 198 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [1,0,1,0,0,0|2,0,0]=4 199 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [1,0,1,0,0,0|2,0,0]=4 200 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [1,0,1,0,0,0|2,0,0]=4 201 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [1,0,1,0,0,0|1,0,0]=3 202 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [1,0,1,0,0,0|2,0,0]=4 203 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [1,0,1,0,0,0|2,0,0]=4 204 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [1,0,1,0,0,0|2,0,0]=4 205 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [1,0,1,0,0,0|0,1,1]=4 206 B10R1.61 c1cncc(c1C(=O)O)N H28714 [1,0,1,0,0,0|2,0,0]=4 207 B10R1.61 c1cncc(c1N)C(=O)O H50032 [1,0,1,0,0,0|2,0,0]=4 208 B10R2.7 c1c[nH]c2c1ccnc2 H64458 [2,0,0,0,0,0|2,0,0]=4 209 B10R2.7 c1c[nH]c2c1cncc2 H64272 [2,0,0,0,0,0|2,0,0]=4 210 B10R2.7 c1cc2c(cc[nH]2)nc1 H64224 [2,0,0,0,0,0|2,0,0]=4 211 B10R2.7 c1cc2cc[nH]c2nc1 L07983 [2,0,0,0,0,0|2,0,0]=4 212 B10R2.7 c1cc2cn[nH]c2nc1 H61710 [2,0,0,0,0,0|1,0,0]=3 213 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [2,0,0,0,0,0|2,0,0]=4 214 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [2,0,0,0,0,0|2,0,0]=4 215 B10R2.7 c1ccc2c(c1)CCN2 A11000 [2,0,0,0,0,0|1,0,1]=4 216 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [2,0,0,0,0,0|2,0,0]=4 217 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [2,0,0,0,0,0|1,0,0]=3 218 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [2,0,0,0,0,0|1,0,0]=3 219 B10R2.7 c1ccc2c(c1)cco2 A15225 [2,0,0,0,0,0|2,0,0]=4 220 B10R2.7 c1ccc2c(c1)ccs2 A12328 [2,0,0,0,0,0|2,0,0]=4 221 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [2,0,0,0,0,0|0,0,0]=2 222 B10R2.7 c1ccc2c(c1)cno2 B23400 [2,0,0,0,0,0|1,0,0]=3 223 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [0,1,1,0,0,0|1,0,1]=4 224 B12R1.367 c1cc(c(cc1\C(=N\O)\N)F)F H54636 [0,1,1,0,0,0|2,0,0]=4 225 B12R1.1703 c1cc(c(cc1F)F)\C(=N\O)\N H50664 [0,1,1,0,0,0|2,0,0]=4 226 B12R1.226 c1cc(cc(c1)F)CCC(=O)O H27847 [0,1,1,0,0,0|2,0,0]=4 227 B12R1.226 c1cc(cc(c1)F)NCC(=O)O B22812 [0,1,1,0,0,0|1,0,0]=3 228 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O B20818 [0,1,1,0,0,0|2,0,0]=4 229 B12R1.57 COc1cc(ccc1C(=O)O)F H26179 [0,1,1,0,0,0|2,0,0]=4 230 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F H26141 [0,1,1,0,0,0|2,0,0]=4 231 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O H31770 [0,1,1,0,0,0|2,0,0]=4 232 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O H60418 [0,1,1,0,0,0|2,0,0]=4 233 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O B24174 [0,1,1,0,0,0|2,0,0]=4 234 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O A14193 [0,1,1,0,0,0|2,0,0]=4 235 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O H61798 [0,1,1,0,0,0|2,0,0]=4 236 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O L19950 [0,1,1,0,0,0|1,0,0]=3 237 B12R1.232 c1c(c(cc(c1I)F)F)C(=O)O H33673 [0,1,1,0,0,0|2,0,0]=4 238 B12R1.232 c1c(c(cc(c1N)F)F)C(=O)O H31845 [0,1,1,0,0,0|2,0,0]=4 239 B12R1.452 COc1ccc(c(c1)N)C(=O)O H32319 [0,1,1,0,0,0|2,0,0]=4 240 B12R1.893 Cc1c(ccc(c1Cl)C(=O)O)F H51879 [0,1,1,0,0,0|2,0,0]=4 241 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O H32326 [0,1,1,0,0,0|2,0,0]=4 242 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O B25313 [0,1,1,0,0,0|2,0,0]=4 243 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F B24127 [0,1,1,0,0,0|2,0,0]=4 244 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F B20696 [0,1,1,0,0,0|2,0,0]=4 245 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F H26088 [0,1,1,0,0,0|2,0,0]=4 246 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F A19758 [0,1,1,0,0,0|2,0,0]=4 247 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A16041 [1,1,0,0,0,0|2,0,0]=4 248 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [1,1,0,0,0,0|1,0,1]=4 249 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [1,1,0,0,0,0|1,0,0]=3 250 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,1,0,0,0,0|2,0,0]=4 251 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [1,1,0,0,0,0|1,0,1]=4 252 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N H33351 [1,1,0,0,0,0|1,0,0]=3 253 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)Cl H33220 [1,1,0,0,0,0|1,0,0]=3 254 B12R2.132 c1cc2c(cc1I)c(n[nH]2)N H34227 [1,1,0,0,0,0|1,0,0]=3 255 B12R2.203 Cc1c[nH]c2c1c(ccc2)Br H37430 [1,1,0,0,0,0|2,0,0]=4 256 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N H33460 [1,1,0,0,0,0|1,0,0]=3 257 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I H36741 [1,1,0,0,0,0|1,0,0]=3 258 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N H34143 [1,1,0,0,0,0|1,0,0]=3 259 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N H64990 [1,1,0,0,0,0|1,0,0]=3 260 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [1,1,0,0,0,0|1,0,0]=3 261 B12R2.44 COc1ccc2cc[nH]c2c1 L19074 [1,1,0,0,0,0|2,0,0]=4 262 B12R2.44 c1cc(cc2c1cc[nH]2)C#N L20099 [1,1,0,0,0,0|2,0,0]=4 263 B12R2.44 c1cc(cc2c1cc[nH]2)C=O H55152 [1,1,0,0,0,0|2,0,0]=4 264 B12R2.44 c1cc(cc2c1cc[nH]2)CN H54640 [1,1,0,0,0,0|2,0,0]=4 265 B12R2.100 Cc1cc2c(cc1C)nn[nH]2 B25304 [1,1,0,0,0,0|2,0,0]=4 266 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)F H61351 [1,1,0,0,0,0|1,1,0]=4 267 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [1,1,0,0,0,0|2,0,0]=4 268 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F H54536 [1,1,0,0,0,0|1,0,0]=3 269 B14R2.8235 c1c(cc(c2c1cnc(n2)Cl)Br)F H66128 [0,1,0,0,0,1|2,0,0]=4 270 B14R2.5719 Cc1c2ccc(cc2[nH]n1)[N+](=O)[O-] H63005 [0,2,0,0,0,0|2,0,0]=4 271 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2Br H36695 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.49 c1cc(ccc1C\C(=N\O)\N)F H66999 [0,0,1,0,0,1|2,0,0]=4 273 B12R1.49 c1cc(ccc1NC(=S)NN)F L09482 [0,0,1,0,0,1|0,1,1]=4 274 B12R1.233 Cc1cc(ccc1CC(=O)O)F H26365 [0,0,1,0,0,1|2,0,0]=4 275 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [0,0,1,0,0,1|2,0,0]=4 276 B12R1.233 c1cc(c(cc1F)F)CC(=O)O B20431 [0,0,1,0,0,1|2,0,0]=4