0 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 B(c1ccc(cn1)Br)(O)O TS19298 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 B(c1ccc(cn1)Cl)(O)O TS03263 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 B(c1ccc(nc1)Br)(O)O TS00865 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.13 B(c1ccc(nc1)Cl)(O)O TS00956 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 B(c1ccc(nc1)F)(O)O TS55353 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 B(c1ccc(nc1)N)(O)O TS90857 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 B(c1cnc(nc1)N)(O)O TS06334 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,0,0,0,0,0|1,0,1]=2 43 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,0,0,0,0,0|1,0,0]=1 74 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,0,0,0,0,0|2,1,0]=3 75 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,0,0,0,0,0|2,0,1]=3 79 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,0,0,0,0,0|2,0,1]=3 88 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,0,0,0,0,0|2,0,1]=3 89 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,0,0,0,0,0|3,1,0]=4 97 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,0,0,0,0,0|3,0,1]=4 101 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.13 c1c(cnc(n1)N)[N+](=O)[O-] TS47451 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] TS11486 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,0,0,0,0,0|2,0,0]=2 116 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,0,0,0,0,0|2,0,0]=2 119 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,0,0,0,0,0|2,0,0]=2 130 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,0,0,0,0,0|2,0,0]=2 131 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,0,0,0,0,0|2,0,0]=2 132 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,0,0,0,0,0|2,0,0]=2 133 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,0,0,0,0,0|2,0,0]=2 134 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,0,0,0,0,0|2,0,0]=2 135 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,0,0,0,0,0|2,0,0]=2 136 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,0,0,0,0,0|2,0,0]=2 137 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,0,0,0,0,0|1,0,0]=1 138 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,0,0,0,0,0|2,0,0]=2 139 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,0,0,0,0,0|1,0,0]=1 140 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,0,0,0,0,0|1,0,0]=1 141 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,0,0,0,0,0|1,0,0]=1 142 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,0,0,0,0,0|1,0,0]=1 143 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,0,0,0,0,0|0,0,0]=0 144 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,0,0,0,0,0|0,0,0]=0 145 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,0,0,0,0,0|1,0,0]=1 146 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,0,0,0,0,0|1,0,0]=1 147 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,0,0,0,0,0|1,0,1]=2 148 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,0,0,0,0,0|1,0,1]=2 149 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,0,0,0,0,0|0,0,1]=1 150 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,0,0,0,0,0|1,0,1]=2 151 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,0,0,0,0,0|1,0,1]=2 152 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,0,0,0,0,0|2,1,0]=3 153 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,0,0,0,0,0|2,1,0]=3 154 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,0,0,0,0,0|2,1,0]=3 155 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,0,0,0,0,0|1,1,0]=2 156 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,0,0,0,0,0|2,1,0]=3 157 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,0,0,0,0,0|3,0,1]=4 158 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,0,0,0,0,0|3,0,1]=4 159 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,0,0,0,0,0|3,0,1]=4 160 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,0,0,0,0,0|2,0,0]=2 161 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,0,0,0,0,0|2,0,1]=3 162 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,0,0,0,0,0|2,0,1]=3 163 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,0,0,0,0,0|1,0,1]=2 164 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,0,0,0,0,0|2,0,1]=3 165 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,0,0,0,0,0|2,0,1]=3 166 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,0,0,0,0,0|2,0,1]=3 167 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,0,0,0,0,0|2,0,1]=3 168 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,0,0,0,0,0|2,0,1]=3 169 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,0,0,0,0,0|2,0,1]=3 170 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,0,0,0,0,0|2,0,1]=3 171 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,0,0,0,0,0|2,0,1]=3 172 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,0,0,0,0,0|3,0,0]=3 173 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,0,0,0,0,0|2,0,0]=2 175 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] TS71437 [0,0,0,0,0,0|3,0,1]=4 176 B10R1.13 c1cc(ncc1C(=N)N)F TS92781 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,0,0,0,0,0|3,0,0]=3 178 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,0,0,0,0,0|3,0,0]=3 179 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,0,0,0,0,0|2,0,0]=2 180 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,0,0,0,0,0|2,0,0]=2 181 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,0,0,0,0,0|2,0,0]=2 182 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,0,0,0,0,0|2,0,0]=2 183 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,0,0,0,0,0|1,0,0]=1 184 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,0,0,0,0,0|1,0,0]=1 185 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,0,0,0,0,0|2,0,0]=2 186 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,0,0,0,0,0|2,0,0]=2 187 B10R1.13 c1cc(ncc1Cl)C(=N)N TS87123 [0,0,0,0,0,0|4,0,0]=4 188 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,0,0,0,0,0|2,0,0]=2 189 B10R1.13 c1cc(ncc1Cl)[N+](=O)[O-] TS03258 [0,0,0,0,0,0|3,0,1]=4 190 B10R1.13 c1cc(ncc1F)C(=N)N TS91292 [0,0,0,0,0,0|4,0,0]=4 191 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,0,0,0,0,0|2,0,0]=2 192 B10R1.13 c1cc(ncc1F)[N+](=O)[O-] TS03308 [0,0,0,0,0,0|3,0,1]=4 193 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,0,0,0,0,0|2,0,0]=2 194 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,0,0,0,0,0|1,0,0]=1 195 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,0,0,0,0,0|1,0,0]=1 196 B10R1.13 c1cc(ncc1N)[N+](=O)[O-] TS03221 [0,0,0,0,0,0|2,0,1]=3 197 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,0,0,0,0,0|2,0,0]=2 198 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br TS55133 [0,0,0,0,0,0|3,0,1]=4 200 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl TS00925 [0,0,0,0,0,0|3,0,1]=4 201 B10R1.13 c1cc(ncc1[N+](=O)[O-])F TS01017 [0,0,0,0,0,0|3,0,1]=4 202 B10R1.13 c1cc(ncc1[N+](=O)[O-])I TS62780 [0,0,0,0,0,0|3,0,1]=4 203 B10R1.13 c1cc(ncc1[N+](=O)[O-])N TS37258 [0,0,0,0,0,0|2,0,1]=3 204 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.13 c1cc(ncc1[N+](=O)[O-])S TS10668 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,0,0,0,0,0|4,0,0]=4 207 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,0,0,0,0,0|3,0,0]=3 208 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,0,0,0,0,0|2,0,0]=2 209 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,0,0,0,0,0|3,0,0]=3 210 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,0,0,0,0,0|2,0,0]=2 211 B10R1.13 c1cn(=O)ccc1N(=O)=O TS71263 [0,0,0,0,0,0|3,0,1]=4 212 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,0,0,0,0,0|1,0,1]=3 216 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.1 CCc1ccc(cc1)F TS05030 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.1 CCc1ccc(cc1)I TS25158 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.1 CCc1ccc(cc1)N TS04870 [1,0,0,0,0,0|1,0,1]=3 227 B9R1.1 CCc1ccc(cc1)O TS04905 [1,0,0,0,0,0|2,0,1]=4 228 B9R1.1 CCc1ccc(cc1)S TS06298 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.1 CNc1ccc(cc1)F TS36055 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.1 CNc1ccc(cc1)I TS32640 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.1 CNc1ccc(cc1)N TS04921 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.1 CNc1ccc(cc1)N TS17998 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.1 CNc1ccc(cc1)O TS04963 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.1 CNc1ccc(cc1)O TS78698 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.1 COc1ccc(cc1)F TS32969 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.1 COc1ccc(cc1)I TS59516 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.1 COc1ccc(cc1)N TS01634 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.1 COc1ccc(cc1)N TS11193 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.1 COc1ccc(cc1)N TS93025 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.1 COc1ccc(cc1)O TS02083 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.1 COc1ccc(cc1)S TS06486 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.1 COc1ccc(cn1)N TS05017 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.1 COc1ccc(nc1)N TS47440 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.1 CSc1ccc(cc1)F TS06687 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.1 CSc1ccc(cc1)I TS27986 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.1 CSc1ccc(cc1)N TS06394 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.1 CSc1ccc(cc1)O TS37396 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.1 CSc1ccc(cc1)S TS41710 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.1 CSc1ccc(nc1)N TS37399 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,0,0,0,0,0|2,0,0]=3 261 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,0,0,0,0,0|1,0,0]=2 262 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,0,0,0,0,0|1,0,1]=3 266 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,0,0,0,0,0|1,1,1]=4 267 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.1 Cc1ccc(cn1)C=C TS55464 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.1 Cc1ccc(cn1)C=O TS01266 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.1 Cc1ccc(nc1)C=O TS01160 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.1 Cc1cnc(cn1)C=O TS88939 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.1 Cc1cnc(nc1)C=O TS90871 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.1 Cc1ncc(cn1)C=O TS08763 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.1 c1c(cnc(n1)N)CO TS88930 [1,0,0,0,0,0|2,0,1]=4 288 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [1,0,0,0,0,0|2,0,1]=4 290 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,0,0,0,0,0|2,0,1]=4 291 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,0,0,0,0,0|2,0,1]=4 292 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,0,0,0,0,0|2,0,1]=4 293 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,0,0,0,0,0|2,0,1]=4 294 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,0,0,0,0,0|1,0,1]=3 295 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,0,0,0,0,0|2,0,1]=4 296 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,0,0,0,0,0|2,0,1]=4 297 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,0,0,0,0,0|2,0,1]=4 298 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,0,0,0,0,0|1,0,0]=2 299 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,0,0,0,0,0|1,0,0]=2 300 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,0,0,0,0,0|1,0,0]=2 301 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,0,0,0,0,0|1,0,0]=2 302 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,0,0,0,0,0|1,0,0]=2 303 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,0,0,0,0,0|0,0,0]=1 304 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,0,0,0,0,0|1,0,0]=2 305 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,0,0,0,0,0|1,0,0]=2 306 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,0,0,0,0,0|2,0,1]=4 311 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,0,0,0,0,0|2,0,1]=4 312 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,0,0,0,0,0|2,0,1]=4 313 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,0,0,0,0,0|2,0,1]=4 314 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,0,0,0,0,0|2,0,1]=4 315 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,0,0,0,0,0|2,0,1]=4 316 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,0,0,0,0,0|2,0,1]=4 317 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,0,0,0,0,0|2,0,1]=4 318 B9R1.1 c1cc(ccc1CN)F TS03087 [1,0,0,0,0,0|2,0,1]=4 319 B9R1.1 c1cc(ccc1CN)F TS42359 [1,0,0,0,0,0|2,0,1]=4 320 B9R1.1 c1cc(ccc1CN)I TS07803 [1,0,0,0,0,0|2,0,1]=4 321 B9R1.1 c1cc(ccc1CN)I TS73917 [1,0,0,0,0,0|2,0,1]=4 322 B9R1.1 c1cc(ccc1CN)N TS32510 [1,0,0,0,0,0|1,0,1]=3 323 B9R1.1 c1cc(ccc1CN)O TS38524 [1,0,0,0,0,0|2,0,1]=4 324 B9R1.1 c1cc(ccc1CN)O TS71170 [1,0,0,0,0,0|2,0,1]=4 325 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,0,0,0,0,0|1,0,1]=3 326 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,0,0,0,0,0|1,0,1]=3 327 B9R1.1 c1cc(ccc1CO)F TS36109 [1,0,0,0,0,0|1,0,1]=3 328 B9R1.1 c1cc(ccc1CO)I TS02234 [1,0,0,0,0,0|1,0,1]=3 329 B9R1.1 c1cc(ccc1CO)N TS70914 [1,0,0,0,0,0|0,0,1]=2 330 B9R1.1 c1cc(ccc1CO)O TS46479 [1,0,0,0,0,0|1,0,1]=3 331 B9R1.1 c1cc(ccc1CO)S TS37388 [1,0,0,0,0,0|1,0,1]=3 332 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,0,0,0,0,0|1,1,1]=4 333 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,0,0,0,0,0|1,1,1]=4 334 B9R1.1 c1cc(ccc1CS)F TS06684 [1,0,0,0,0,0|1,1,1]=4 335 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,0,0,0,0,0|2,0,1]=4 336 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.1 c1cc(ccc1NN)I TS53552 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.1 c1cc(ncc1Br)C=O TS71427 [1,0,0,0,0,0|2,0,0]=3 346 B9R1.1 c1cc(ncc1Br)CO TS71442 [1,0,0,0,0,0|2,0,1]=4 347 B9R1.1 c1cc(ncc1C=O)Br TS16478 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.1 c1cc(ncc1C=O)F TS01040 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.1 c1cc(ncc1C=O)N TS87752 [1,0,0,0,0,0|1,0,0]=2 351 B9R1.1 c1cc(ncc1C=O)O TS55611 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,0,0,0,0,0|2,0,1]=4 353 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,0,0,0,0,0|2,0,1]=4 354 B9R1.1 c1cc(ncc1CO)F TS85126 [1,0,0,0,0,0|2,0,1]=4 355 B9R1.1 c1cc(ncc1CO)N TS46564 [1,0,0,0,0,0|1,0,1]=3 356 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [1,0,0,0,0,0|2,0,0]=3 357 B9R1.1 c1cc(ncc1F)C=O TS60090 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.1 c1cc(ncc1F)CO TS88541 [1,0,0,0,0,0|2,0,1]=4 359 B9R1.1 c1cc(ncc1N)C#N TS65869 [1,0,0,0,0,0|2,0,1]=4 360 B9R1.1 c1cc(ncc1N)CN TS32573 [1,0,0,0,0,0|2,0,1]=4 361 B9R1.1 c1cc(ncc1O)C=O TS03343 [1,0,0,0,0,0|2,0,0]=3 362 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.1 c1cn(=O)ccc1C=O TS32549 [1,0,0,0,0,0|2,0,0]=3 364 B9R1.1 c1cn(=O)ccc1CO TS59701 [1,0,0,0,0,0|2,0,1]=4 365 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|1,0,1]=3 367 B9R1.6 B(c1cccnc1)(O)O TS02468 [1,0,0,0,0,0|2,0,1]=4 368 B9R1.6 B(c1cccnc1)(O)O TS11179 [1,0,0,0,0,0|2,0,1]=4 369 B9R1.6 B(c1ccncc1)(O)O TS39931 [1,0,0,0,0,0|2,0,1]=4 370 B9R1.6 B(c1ccncc1)(O)O TS90264 [1,0,0,0,0,0|2,0,1]=4 371 B9R1.6 B(c1ccncc1)(O)O TS93424 [1,0,0,0,0,0|2,0,1]=4 372 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|2,0,0]=3 373 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|2,0,0]=3 374 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|2,0,0]=3 375 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|1,0,0]=2 376 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|1,0,0]=2 377 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|1,0,0]=2 378 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|1,0,0]=2 379 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|2,0,0]=3 380 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|2,0,0]=3 381 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|2,0,0]=3 383 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.6 CC(=O)c1cncnc1 TS46735 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|2,0,1]=4 389 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|2,0,1]=4 390 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|1,0,1]=3 391 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|2,0,1]=4 392 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|3,0,0]=4 393 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|3,0,0]=4 395 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|2,0,1]=4 397 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|1,0,1]=3 398 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|2,0,1]=4 399 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|2,0,1]=4 400 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|2,0,1]=4 401 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|2,0,1]=4 402 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|2,0,1]=4 403 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|1,0,1]=3 404 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|2,0,1]=4 405 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|2,0,1]=4 406 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|2,0,1]=4 407 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|2,1,0]=4 408 B9R1.6 c1c(cncn1)C(=O)O TS11330 [1,0,0,0,0,0|2,0,0]=3 409 B9R1.6 c1c(cncn1)C(=O)O TS88781 [1,0,0,0,0,0|2,0,0]=3 410 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [1,0,0,0,0,0|2,0,1]=4 411 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,0,0,0,0,0|2,0,0]=3 413 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,0,0,0,0,0|1,0,0]=2 418 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,0,0,0,0,0|1,0,1]=3 419 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,0,0,0,0,0|1,0,1]=3 420 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,0,0,0,0,0|1,0,1]=3 421 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,0,0,0,0,0|2,1,0]=4 422 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [1,0,0,0,0,0|1,1,0]=3 423 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [1,0,0,0,0,0|2,0,1]=4 424 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [1,0,0,0,0,0|2,0,0]=3 425 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|2,0,0]=3 426 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|2,0,0]=3 427 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|2,0,0]=3 428 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|1,0,0]=2 429 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|1,0,0]=2 430 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|1,0,0]=2 431 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|1,0,0]=2 432 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|0,0,0]=1 433 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|0,0,0]=1 434 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|0,0,0]=1 435 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|0,0,0]=1 436 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|0,0,0]=1 437 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|0,0,1]=2 438 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|0,0,1]=2 439 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|0,0,1]=2 440 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|0,0,1]=2 441 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|0,0,1]=2 442 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|1,1,0]=3 443 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|0,1,0]=2 444 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,0,0|2,0,1]=4 445 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,0,0|2,0,1]=4 446 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|1,0,1]=3 447 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|1,0,0]=2 449 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|1,0,1]=3 450 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,0,0,0,0,0|3,0,0]=4 451 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|1,0,1]=3 452 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|1,0,1]=3 453 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|1,0,1]=3 454 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|1,0,1]=3 455 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,0,0,0,0,0|2,1,0]=4 456 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,0,0,0,0,0|3,0,0]=4 457 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,0,0|2,0,0]=3 458 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,0|2,0,0]=3 459 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,0,0|1,0,0]=2 460 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,0,0|1,0,1]=3 461 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,0,0|1,0,1]=3 462 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,0,0|1,0,1]=3 463 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,0,0|1,0,1]=3 464 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,0,0|1,0,1]=3 465 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,0,0,0,0,0|2,1,0]=4 466 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,0,0,0,0,0|3,0,0]=4 467 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,0,0,0,0,0|2,0,0]=3 468 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [1,0,0,0,0,0|2,0,0]=3 469 B9R1.6 c1cnccc1C(=N)N TS01862 [1,0,0,0,0,0|3,0,0]=4 470 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,0,0|2,0,0]=3 471 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,0|2,0,0]=3 472 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,0,0|1,0,0]=2 473 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,0,0|1,0,1]=3 474 B9R1.6 c1cnccc1C(=S)N TS06294 [1,0,0,0,0,0|2,1,0]=4 475 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [1,0,0,0,0,0|2,0,1]=4 476 B9R1.6 c1cncnc1C(=O)O TS90236 [1,0,0,0,0,0|2,0,0]=3 477 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [1,0,0,0,0,0|3,0,0]=4 478 B9R1.6 c1cnncc1C(=O)O TS59368 [1,0,0,0,0,0|2,0,0]=3 479 B11R1.3 B(c1ccc(cc1)C#N)(O)O TS03065 [0,1,0,0,0,0|1,0,2]=4 480 B11R1.3 B(c1ccc(cc1)C=C)(O)O TS07399 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.3 B(c1ccc(cc1)C=O)(O)O TS85495 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.3 B(c1ccc(cc1)CBr)(O)O TS16901 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.3 B(c1ccc(cc1)CCl)(O)O TS45216 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.3 B(c1ccc(cc1)CN)(O)O TS08871 [0,1,0,0,0,0|1,0,1]=3 486 B11R1.3 B(c1ccc(cc1)CN)(O)O TS40961 [0,1,0,0,0,0|1,0,1]=3 487 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [0,1,0,0,0,0|2,0,1]=4 488 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,1,0,0,0,0|2,0,1]=4 489 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.3 C#Cc1ccc(cc1)[N+](=O)[O-] TS07299 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.3 C=Cc1ccc(cc1)S(=O)[O-] TS17059 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,1,0,0,0,0|1,0,1]=3 497 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.3 CC(C)c1ccc(cc1)NN TS09944 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.3 CC(C)c1ccc(cc1)NN TS15742 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,1,0,0,0,0|1,0,0]=2 512 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,1,0,0,0,0|2,1,0]=4 513 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,1,0,0,0,0|0,0,0]=1 518 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.3 CNc1ccc(cn1)[N+](=O)[O-] TS10301 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,1,0,0,0,0|2,1,0]=4 526 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,1,0,0,0,0|1,0,0]=2 531 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,1,0,0,0,0|1,0,2]=4 534 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,1,0,0,0,0|1,0,2]=4 535 B11R1.3 [C-]#[N+]c1ccc(cc1)[N+](=O)[O-] TS40596 [0,1,0,0,0,0|1,0,2]=4 536 B11R1.3 c1c(cnc(n1)C#N)C(=O)O TS88990 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [0,1,0,0,0,0|1,0,1]=3 538 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [0,1,0,0,0,0|1,0,1]=3 539 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,1,0,0,0,0|0,0,1]=2 540 B11R1.3 c1cc(ccc1C#N)[N+](=O)[O-] TS60065 [0,1,0,0,0,0|1,0,2]=4 541 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,1,0,0,0,0|0,0,0]=1 542 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,1,0,0,0,0|0,0,0]=1 543 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,1,0,0,0,0|1,0,0]=2 544 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [0,1,0,0,0,0|1,0,1]=3 545 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,1,0,0,0,0|1,0,0]=2 547 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] TS09745 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,1,0,0,0,0|1,0,0]=2 549 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,1,0,0,0,0|1,0,0]=2 552 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,1,0,0,0,0|0,0,0]=1 557 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [0,1,0,0,0,0|1,0,1]=3 558 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,1,0,0,0,0|1,0,0]=2 559 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] TS10300 [0,1,0,0,0,0|1,0,1]=3 561 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] TS50984 [0,1,0,0,0,0|1,0,1]=3 562 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] TS25986 [0,1,0,0,0,0|1,0,2]=4 563 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] TS58528 [0,1,0,0,0,0|1,0,2]=4 564 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [0,1,0,0,0,0|1,0,1]=3 565 B11R1.3 c1cc(ccc1[N+](=O)[O-])SCl TS16245 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.3 c1cc(ncc1C(=O)N)C#N TS07301 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [0,1,0,0,0,0|1,0,1]=3 568 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [0,1,0,0,0,0|1,0,0]=2 569 B11R1.19 CC(C)(C)c1ccc(cc1)N TS40788 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.19 CC(C)(c1ccc(cc1)F)O TS10445 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br TS56621 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl TS33159 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.19 CS(=O)(=O)c1ccc(cc1)F TS13477 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.19 CS(=O)(=O)c1ccc(cc1)N TS70784 [0,1,0,0,0,0|1,0,1]=3 575 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.19 C[N+](C)(C)c1ccc(cc1)N TS61180 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O TS01273 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.19 c1cc(ccc1C(F)(F)F)N TS53909 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.19 c1cc(ccc1C(F)(F)F)N TS70913 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.19 c1cc(ccc1Cl)[As](=O)(O)O TS25959 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.19 c1cc(ccc1F)S(=O)(=O)Cl TS60358 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.19 c1cc(ccc1F)S(=O)(=O)F TS47499 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.19 c1cc(ccc1F)S(=O)(=O)N TS03083 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.19 c1cc(ccc1F)S(=O)(=O)O TS46045 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.19 c1cc(ccc1F)S(=O)(=O)[O-] TS21681 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.19 c1cc(ccc1N)S(=O)(=O)F TS13644 [0,1,0,0,0,0|1,0,1]=3 624 B11R1.19 c1cc(ccc1N)S(=O)(=O)N TS77872 [0,1,0,0,0,0|1,0,1]=3 625 B11R1.19 c1cc(ccc1N)S(=O)(=O)O TS02088 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.19 c1cc(ccc1N)[As](=O)(O)O TS22172 [0,1,0,0,0,0|1,0,0]=2 627 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.19 c1cc(ccc1O)S(=O)(=O)O TS13461 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS18192 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS67381 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS72457 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.19 c1cc(ccc1O)[As](=O)(O)O TS49348 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Br TS09592 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Cl TS21078 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)I TS74816 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.19 c1cc(ccc1S(=O)(=O)N)Br TS56748 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.19 c1cc(ccc1S(=O)(=O)N)Cl TS33151 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.19 c1cc(ccc1S(=O)(=O)N)I TS34502 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.19 c1cc(ccc1S(=O)(=O)O)Br TS56897 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl TS71061 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])Br TS33692 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])Cl TS24989 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])Cl TS44602 [0,1,0,0,0,0|2,0,1]=4 644 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])I TS77344 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.19 c1cc(ncc1O)S(=O)(=O)O TS13638 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl TS55588 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.19 c1cc(ncc1S(=O)(=O)O)N TS13472 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.19 c1cc(ncc1S(=O)(=O)O)O TS13639 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O TS09646 [0,1,0,0,0,0|2,0,1]=4 651 B11R1.21 B(c1ccc(c(c1)C)F)(O)O TS70665 [0,1,0,0,0,0|2,0,1]=4 652 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O TS65984 [0,1,0,0,0,0|2,0,1]=4 653 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O TS65743 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O TS02690 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.21 B(c1ccc(c(c1)F)Br)(O)O TS08995 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O TS09638 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.21 B(c1ccc(c(c1)F)F)(O)O TS65758 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [0,1,0,0,0,0|2,0,1]=4 660 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS40959 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS50603 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O TS20465 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.21 B(c1ccc(c(c1)N)F)(O)O TS65072 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,1,0,0,0,0|1,0,0]=2 666 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.21 CC(C)c1ccc(c(c1)Br)N TS39651 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,1,0,0,0,0|1,0,0]=2 681 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] TS85255 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] TS13068 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] TS01018 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] TS68683 [0,1,0,0,0,0|2,0,1]=4 692 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,1,0,0,0,0|0,0,0]=1 693 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] TS01124 [0,1,0,0,0,0|1,0,1]=3 694 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,1,0,0,0,0|1,0,0]=2 696 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.21 Cc1cc(cnc1N)[N+](=O)[O-] TS47446 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,1,0,0,0,0|1,0,0]=2 701 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,1,0,0,0,0|1,0,0]=2 708 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,1,0,0,0,0|2,1,0]=4 709 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,1,0,0,0,0|2,1,0]=4 718 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,1,0,0,0,0|1,0,0]=2 723 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.21 Cc1cnc(cn1=O)C(=O)O TS55719 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O TS86196 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.21 c1c(cnc(c1Br)N)[N+](=O)[O-] TS08282 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.21 c1c(cnc(c1Cl)N)[N+](=O)[O-] TS08288 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.21 c1c(cnc(c1I)N)[N+](=O)[O-] TS47369 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O TS89514 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O TS92409 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.21 c1cc(c(cc1C(=N)N)Br)F TS28516 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS20682 [0,1,0,0,0,0|3,0,0]=4 745 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS45558 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.21 c1cc(c(cc1C(=N)N)F)Br TS22165 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS10659 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS17575 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,1,0,0,0,0|1,0,0]=2 762 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,1,0,0,0,0|0,0,0]=1 763 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,1,0,0,0,0|1,0,0]=2 764 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,1,0,0,0,0|1,0,0]=2 765 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,1,0,0,0,0|1,0,0]=2 766 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,1,0,0,0,0|1,0,0]=2 767 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,1,0,0,0,0|0,0,0]=1 768 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,1,0,0,0,0|1,0,0]=2 769 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,1,0,0,0,0|1,0,0]=2 770 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,1,0,0,0,0|1,0,0]=2 771 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,1,0,0,0,0|1,0,0]=2 772 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,1,0,0,0,0|1,0,0]=2 773 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,1,0,0,0,0|0,0,0]=1 774 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,1,0,0,0,0|1,0,0]=2 775 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,1,0,0,0,0|1,0,0]=2 777 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,1,0,0,0,0|1,0,0]=2 778 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,1,0,0,0,0|0,0,0]=1 779 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,1,0,0,0,0|0,0,0]=1 785 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,1,0,0,0,0|1,0,0]=2 787 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,1,0,0,0,0|1,0,0]=2 788 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,1,0,0,0,0|1,0,0]=2 789 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,1,0,0,0,0|1,0,0]=2 790 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,1,0,0,0,0|0,0,0]=1 791 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,1,0,0,0,0|1,0,0]=2 792 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,1,0,0,0,0|0,0,0]=1 793 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [0,1,0,0,0,0|1,0,1]=3 794 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [0,1,0,0,0,0|1,0,1]=3 795 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl TS38924 [0,1,0,0,0,0|2,1,0]=4 796 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F TS16258 [0,1,0,0,0,0|2,1,0]=4 797 B11R1.21 c1cc(c(cc1N(=O)=O)Br)Cl TS65917 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.21 c1cc(c(cc1N(=O)=O)Br)F TS09447 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)Cl TS51388 [0,1,0,0,0,0|2,0,1]=4 800 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)F TS02686 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)I TS54659 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.21 c1cc(c(cc1N(=O)=O)F)Cl TS09635 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.21 c1cc(c(cc1N(=O)=O)F)F TS65757 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.21 c1cc(c(cc1N(=O)=O)F)I TS02751 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.21 c1cc(c(cc1S(=O)[O-])Cl)Cl TS30625 [0,1,0,0,0,0|2,0,1]=4 806 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N TS08338 [0,1,0,0,0,0|1,0,1]=3 807 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N TS00070 [0,1,0,0,0,0|1,0,1]=3 809 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N TS02164 [0,1,0,0,0,0|1,0,1]=3 811 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)Cl TS54658 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)I TS67002 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N TS01071 [0,1,0,0,0,0|1,0,1]=3 814 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br TS55130 [0,1,0,0,0,0|2,0,1]=4 816 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl TS00918 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F TS01011 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N TS09756 [0,1,0,0,0,0|1,0,1]=3 819 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N TS50981 [0,1,0,0,0,0|1,0,1]=3 820 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [0,1,0,0,0,0|2,0,1]=4 822 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl TS00923 [0,1,0,0,0,0|2,0,1]=4 823 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F TS01016 [0,1,0,0,0,0|2,0,1]=4 824 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N TS47449 [0,1,0,0,0,0|1,0,1]=3 825 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [0,1,0,0,0,0|2,0,1]=4 826 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,1,0,0,0,0|2,0,0]=3 828 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,0|2,0,0]=3 831 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,0|1,0,0]=2 833 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,0,0|1,0,0]=2 835 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,1,0,0,0,0|1,0,0]=2 838 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,1,0,0,0,0|1,0,0]=2 839 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,1,0,0,0,0|1,0,0]=2 840 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,1,0,0,0,0|1,0,0]=2 841 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,1,0,0,0,0|0,0,0]=1 842 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,1,0,0,0,0|0,0,0]=1 843 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,1,0,0,0,0|1,0,0]=2 844 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,1,0,0,0,0|1,0,0]=2 845 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,1,0,0,0,0|1,0,0]=2 846 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,1,0,0,0,0|1,0,0]=2 849 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,1,0,0,0,0|2,0,0]=3 853 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,1,0,0,0,0|1,0,0]=2 854 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,1,0,0,0,0|2,0,0]=3 855 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,1,0,0,0,0|2,0,0]=3 869 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,1,0,0,0,0|2,0,0]=3 870 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,1,0,0,0,0|1,0,1]=3 871 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,0|2,0,0]=3 872 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,0|1,0,0]=2 876 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,0|1,0,0]=2 879 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,0|1,0,0]=2 880 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,1,0,0,0,0|2,0,1]=4 881 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.22 c1cc(=O)[nH]cc1C(=O)NN TS10296 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [0,1,0,0,0,0|2,0,0]=3 891 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [0,1,0,0,0,0|2,0,0]=3 892 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [0,1,0,0,0,0|1,0,0]=2 893 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [0,1,0,0,0,0|2,0,0]=3 894 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [0,1,0,0,0,0|2,0,0]=3 895 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,1,0,0,0,0|1,0,1]=3 898 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,1,0,0,0,0|1,0,1]=3 899 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,1,0,0,0,0|1,0,1]=3 900 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,1,0,0,0,0|1,0,1]=3 901 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,1,0,0,0,0|1,0,1]=3 902 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,1,0,0,0,0|1,0,0]=2 906 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,1,0,0,0,0|1,0,0]=2 914 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,1,0,0,0,0|1,0,0]=2 915 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,1,0,0,0,0|1,0,0]=2 916 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,1,0,0,0,0|1,0,0]=2 917 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,1,0,0,0,0|1,0,0]=2 921 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [0,1,0,0,0,0|1,0,0]=2 923 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,1,0,0,0,0|2,0,1]=4 924 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,1,0,0,0,0|2,0,1]=4 925 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,1,0,0,0,0|2,0,1]=4 926 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,1,0,0,0,0|2,0,1]=4 927 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,1,0,0,0,0|2,0,1]=4 930 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,1,0,0,0,0|2,0,1]=4 931 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,1,0,0,0,0|2,0,1]=4 932 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,1,0,0,0,0|2,0,1]=4 933 B11R1.22 c1cc(ncc1C(=O)NN)Cl TS02149 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.22 c1cc(ncc1C(=O)NN)N TS10160 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.166 B(c1ccc(cc1C)Br)(O)O TS94834 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,1,0,0,0,0|2,0,1]=4 938 B11R1.166 B(c1ccc(cc1C)F)(O)O TS01122 [0,1,0,0,0,0|2,0,1]=4 939 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,1,0,0,0,0|2,0,1]=4 940 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.166 B(c1ccc(cc1Cl)F)(O)O TS55215 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.166 B(c1ccc(cc1F)Br)(O)O TS16939 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.166 B(c1ccc(cc1F)Cl)(O)O TS03039 [0,1,0,0,0,0|2,0,1]=4 945 B11R1.166 B(c1ccc(cc1F)F)(O)O TS93311 [0,1,0,0,0,0|2,0,1]=4 946 B11R1.166 B(c1ccc(cc1F)I)(O)O TS08420 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,1,0,0,0,0|2,0,1]=4 948 B11R1.166 B(c1ccc(cc1O)F)(O)O TS07662 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,0,0|1,0,0]=2 958 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,0,0|1,0,0]=2 963 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,1,0,0,0,0|3,0,0]=4 967 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,1,0,0,0,0|2,0,0]=3 968 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] TS47447 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.166 Cc1c(cnc(n1)N)C(=O)C TS10045 [0,1,0,0,0,0|3,0,0]=4 971 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,1,0,0,0,0|2,0,0]=3 972 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,0,0|2,0,0]=3 977 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,1,0,0,0,0|1,0,0]=2 981 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,1,0,0,0,0|1,0,0]=2 982 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,1,0,0,0,0|1,0,0]=2 983 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,1,0,0,0,0|0,0,0]=1 984 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,1,0,0,0,0|1,0,0]=2 985 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,1,0,0,0,0|2,0,1]=4 986 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br TS16764 [0,1,0,0,0,0|2,0,1]=4 987 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl TS03259 [0,1,0,0,0,0|2,0,1]=4 988 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F TS93803 [0,1,0,0,0,0|2,0,1]=4 989 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])I TS68681 [0,1,0,0,0,0|2,0,1]=4 990 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N TS02830 [0,1,0,0,0,0|1,0,1]=3 991 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,1,0,0,0,0|2,0,0]=3 995 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,1,0,0,0,0|1,0,0]=2 996 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS47410 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS85433 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,0,0|1,0,0]=2 1000 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,0,0|2,0,0]=3 1001 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,1,0,0,0,0|2,0,0]=3 1002 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,0,0|1,0,0]=2 1003 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,0,0|1,0,0]=2 1006 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,1,0,0,0,0|2,0,1]=4 1007 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,0,0|1,0,0]=2 1008 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,0,0|1,0,0]=2 1012 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,1,0,0,0,0|2,0,1]=4 1013 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,0,0|2,0,0]=3 1015 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,0|1,0,0]=2 1016 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,1,0,0,0,0|2,0,0]=3 1017 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,1,0,0,0,0|2,0,0]=3 1019 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,1,0,0,0,0|2,0,0]=3 1020 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,1,0,0,0,0|3,0,0]=4 1022 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,1,0,0,0,0|2,0,0]=3 1023 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Br TS87536 [0,1,0,0,0,0|2,0,1]=4 1027 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Cl TS45694 [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,1,0,0,0,0|2,0,0]=3 1029 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O TS59708 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O TS47200 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.166 c1c(c(nc(n1)S)O)C(=O)O TS13128 [0,1,0,0,0,0|3,0,0]=4 1033 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,1,0,0,0,0|3,0,0]=4 1038 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,1,0,0,0,0|2,0,0]=3 1041 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,1,0,0,0,0|2,0,0]=3 1042 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl TS90418 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,1,0,0,0,0|1,0,0]=2 1044 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,1,0,0,0,0|1,0,0]=2 1045 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,1,0,0,0,0|1,0,0]=2 1048 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,1,0,0,0,0|1,0,0]=2 1049 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,1,0,0,0,0|1,0,0]=2 1050 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,1,0,0,0,0|1,0,0]=2 1051 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,1,0,0,0,0|2,0,1]=4 1052 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,1,0,0,0,0|1,0,0]=2 1053 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,1,0,0,0,0|1,0,0]=2 1054 B11R1.166 c1cc(c(cc1Cl)Br)[N+](=O)[O-] TS55096 [0,1,0,0,0,0|2,0,1]=4 1055 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,1,0,0,0,0|1,0,0]=2 1059 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,1,0,0,0,0|2,1,0]=4 1060 B11R1.166 c1cc(c(cc1Cl)Cl)N(=O)=O TS59919 [0,1,0,0,0,0|2,0,1]=4 1061 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,1,0,0,0,0|1,0,0]=2 1063 B11R1.166 c1cc(c(cc1Cl)F)N(=O)=O TS03042 [0,1,0,0,0,0|2,0,1]=4 1064 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,1,0,0,0,0|1,0,0]=2 1065 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,1,0,0,0,0|1,0,0]=2 1066 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,1,0,0,0,0|2,0,1]=4 1067 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,1,0,0,0,0|1,0,0]=2 1068 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,1,0,0,0,0|1,0,0]=2 1070 B11R1.166 c1cc(c(cc1F)Br)N(=O)=O TS08320 [0,1,0,0,0,0|2,0,1]=4 1071 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,1,0,0,0,0|1,0,0]=2 1074 B11R1.166 c1cc(c(cc1F)Cl)N(=O)=O TS00888 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,1,0,0,0,0|2,0,0]=3 1078 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,1,0,0,0,0|1,0,0]=2 1079 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,1,0,0,0,0|1,0,1]=3 1080 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,1,0,0,0,0|2,1,0]=4 1081 B11R1.166 c1cc(c(cc1F)F)N(=O)=O TS00634 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,1,0,0,0,0|1,0,0]=2 1083 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,1,0,0,0,0|1,0,0]=2 1084 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] TS03303 [0,1,0,0,0,0|2,0,1]=4 1085 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,1,0,0,0,0|1,0,0]=2 1086 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,1,0,0,0,0|2,0,1]=4 1087 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,1,0,0,0,0|1,0,0]=2 1088 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,1,0,0,0,0|1,0,0]=2 1089 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,1,0,0,0,0|1,0,0]=2 1090 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,1,0,0,0,0|1,0,0]=2 1091 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,1,0,0,0,0|1,0,0]=2 1092 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] TS09460 [0,1,0,0,0,0|1,0,1]=3 1093 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,1,0,0,0,0|0,0,0]=1 1094 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] TS13258 [0,1,0,0,0,0|1,0,1]=3 1095 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,1,0,0,0,0|0,0,0]=1 1096 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] TS02760 [0,1,0,0,0,0|1,0,1]=3 1097 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,1,0,0,0,0|0,0,0]=1 1098 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS10297 [0,1,0,0,0,0|1,0,1]=3 1099 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS62964 [0,1,0,0,0,0|1,0,1]=3 1100 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,1,0,0,0,0|0,0,0]=1 1101 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,1,0,0,0,0|0,0,1]=2 1102 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,1,0,0,0,0|0,0,1]=2 1103 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,1,0,0,0,0|0,0,1]=2 1104 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,1,0,0,0,0|1,0,0]=2 1105 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,1,0,0,0,0|2,0,1]=4 1106 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,1,0,0,0,0|1,0,0]=2 1108 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,1,0,0,0,0|2,0,0]=3 1113 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,1,0,0,0,0|2,0,0]=3 1115 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [0,0,0,1,0,0|2,0,1]=4 1116 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [0,0,0,1,0,0|2,0,1]=4 1117 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [0,0,0,1,0,0|2,0,1]=4 1118 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [0,0,0,1,0,0|2,0,1]=4 1119 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [0,0,0,1,0,0|2,0,1]=4 1120 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [0,0,0,1,0,0|2,0,1]=4 1121 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS11765 [0,0,0,0,1,0|0,0,3]=4 1122 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS36219 [0,0,0,0,1,0|0,0,3]=4 1123 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O TS36226 [0,0,0,0,1,0|0,0,3]=4 1124 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS08776 [0,0,0,0,1,0|0,0,3]=4 1125 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS11766 [0,0,0,0,1,0|0,0,3]=4 1126 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,0,0,0,1,0|3,0,0]=4 1127 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,0,0,0,1,0|3,0,0]=4 1128 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,0,0,0,1,0|3,0,0]=4 1129 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,0,0,0,1,0|3,0,0]=4 1130 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,0,0,0,1,0|3,0,0]=4 1131 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,0,0,0,1,0|3,0,0]=4 1132 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,0,0,0,1,0|3,0,0]=4 1133 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,0,0,0,1,0|3,0,0]=4 1134 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,0,0,0,1,0|3,0,0]=4 1135 B9R1.35 CC(=O)c1csc(n1)N TS37585 [0,0,0,0,1,0|3,0,0]=4 1136 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,0,0,0,1,0|2,0,0]=3 1137 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,0,0,0,1,0|3,0,0]=4 1138 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,0,0,0,1,0|2,0,0]=3 1139 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,0,0,0,1,0|3,0,0]=4 1140 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,0,0,0,1,0|3,0,0]=4 1141 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,0,0,0,1,0|3,0,0]=4 1142 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,0,0,0,1,0|3,0,0]=4 1143 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,0,0,0,1,0|3,0,0]=4 1144 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,0,0,0,1,0|2,0,0]=3 1145 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,0,0,0,1,0|2,0,0]=3 1146 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,0,0,0,1,0|3,0,0]=4 1147 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,0,0,0,1,0|3,0,0]=4 1148 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,0,0,0,1,0|2,0,0]=3 1149 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,0,0,0,1,0|3,0,0]=4 1150 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,0,0,0,1,0|2,0,0]=3 1151 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,0,0,0,1,0|3,0,0]=4 1152 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,0,0,0,1,0|3,0,0]=4 1153 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,0,0,0,1,0|3,0,0]=4 1154 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,0,0,0,1,0|3,0,0]=4 1155 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,0,0,0,1,0|3,0,0]=4 1156 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,0,0,0,1,0|3,0,0]=4 1157 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,0,0,0,1,0|3,0,0]=4 1158 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,0,0,0,1,0|3,0,0]=4 1159 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,0,0,0,1,0|3,0,0]=4 1160 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,0,0,0,1,0|3,0,0]=4 1161 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [0,0,0,0,1,0|3,0,0]=4 1162 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,0,0,0,1,0|2,0,0]=3 1163 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,0,0,0,1,0|2,0,0]=3 1164 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,0,0,0,1,0|3,0,0]=4 1165 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,0,0,0,1,0|2,0,0]=3 1166 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,0,0,0,1,0|2,0,0]=3 1167 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,0,0,0,1,0|2,0,0]=3 1168 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,0,0,0,1,0|1,0,0]=2 1169 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,0,0,0,1,0|2,0,0]=3 1170 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,0,0,0,1,0|2,0,0]=3 1171 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [0,0,0,0,1,0|2,0,0]=3 1172 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,0,0,0,1,0|2,0,0]=3 1173 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,0,0,0,1,0|3,0,0]=4 1174 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,0,0,0,1,0|3,0,0]=4 1175 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,0,0,0,1,0|3,0,0]=4 1176 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,0,0,0,1,0|3,0,0]=4 1177 B9R1.35 c1c(nc(s1)N)C(=O)N TS40075 [0,0,0,0,1,0|3,0,0]=4 1178 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,0,0,0,1,0|2,0,0]=3 1179 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,0,0,0,1,0|2,0,0]=3 1180 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,0,0,0,1,0|3,0,0]=4 1181 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,0,0,0,1,0|3,0,0]=4 1182 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,0,0,0,1,0|3,0,0]=4 1183 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,0,0,0,1,0|2,0,0]=3 1184 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,0,0,0,1,0|2,0,0]=3 1185 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,0,0,0,1,0|2,0,0]=3 1186 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,0,0,0,1,0|3,0,0]=4 1187 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,0,0,0,1,0|3,0,0]=4 1188 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,0,0,0,1,0|2,0,0]=3 1189 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,0,0,0,1,0|2,0,0]=3 1190 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,0,0,0,1,0|1,0,0]=2 1191 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,0,0,0,1,0|3,0,0]=4 1192 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,0,0,0,1,0|3,0,0]=4 1193 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,0,0,0,1,0|2,0,0]=3 1194 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,0,0,0,1,0|2,0,0]=3 1195 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,0,0,0,1,0|2,0,0]=3 1196 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,0,0,0,1,0|2,0,0]=3 1197 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,0,0,0,0,1|2,0,0]=3 1198 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,0,0,0,0,1|2,0,0]=3 1199 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,0,0,0,0,1|2,0,0]=3 1200 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,0,0,0,0,1|2,0,0]=3 1201 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,0,0,0,0,1|2,0,0]=3 1202 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,0,0,0,0,1|2,0,0]=3 1203 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,0,0,0,0,1|2,0,0]=3 1204 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,0,0,0,0,1|2,0,0]=3 1205 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,0,0,0,0,1|2,0,0]=3 1206 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,0,0,0,0,1|1,0,0]=2 1207 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,0,0,0,0,1|2,0,0]=3 1208 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,0,0,0,0,1|2,0,0]=3 1209 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [0,0,0,0,0,1|3,0,0]=4 1210 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [0,0,0,0,0,1|3,0,0]=4 1211 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [0,0,0,0,0,1|3,0,0]=4 1212 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [0,0,0,0,0,1|2,0,0]=3 1213 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,0,0,0,0,1|3,0,0]=4 1214 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,0,0,0,0,1|2,0,0]=3 1215 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,0,0,0,0,1|2,0,0]=3 1216 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,0,0,0,0,1|2,0,0]=3 1217 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,0,0,0,0,1|2,0,1]=4 1218 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,0,0,0,0,1|2,0,1]=4 1219 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,0,0,0,0,1|2,0,1]=4 1220 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,0,0,0,0,1|3,0,0]=4 1221 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,0,0,0,0,1|2,0,0]=3 1222 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,0,0,0,0,1|2,0,0]=3 1223 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,0,0,0,0,1|1,0,0]=2 1224 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,0,0,0,0,1|2,1,0]=4 1225 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,0,0,0,0,1|1,1,0]=3 1226 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,0,0,0,0,1|3,0,0]=4 1227 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,0,0,0,0,1|2,0,0]=3 1228 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,0,0,0,0,1|2,0,0]=3 1229 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,0,0,0,0,1|2,1,0]=4 1230 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,0,0,0,0,1|2,0,0]=3 1231 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,0,0,0,0,1|2,0,0]=3 1232 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,0,0,0,0,1|2,1,0]=4 1233 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,0,0,0,0,1|3,0,0]=4 1234 B11R1.20 c1c(cnc(n1)CC(=O)O)Br TS87052 [0,0,0,0,0,1|3,0,0]=4 1235 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,0,0,0,0,1|3,0,0]=4 1236 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,0,0,0,0,1|3,0,0]=4 1237 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,0,0,0,0,1|2,0,0]=3 1238 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,0,0,0,0,1|2,0,0]=3 1239 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,0,0,0,0,1|2,0,0]=3 1240 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,0,0,0,0,1|2,0,0]=3 1241 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,0,0,0,0,1|1,0,0]=2 1242 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,0,0,0,0,1|1,0,0]=2 1243 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,0,0,0,0,1|1,0,0]=2 1244 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,0,0,0,0,1|1,0,0]=2 1245 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,0,0,0,0,1|0,0,0]=1 1246 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,0,0,0,0,1|1,0,0]=2 1247 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,0,0,0,0,1|1,0,0]=2 1248 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,0,0,0,0,1|2,1,0]=4 1249 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,0,0,0,0,1|1,0,0]=2 1250 B11R1.20 c1cc(ccc1N)OC(F)F TS16906 [0,0,0,0,0,1|2,0,1]=4 1251 B11R1.20 c1cc(ccc1N)SC(F)F TS13693 [0,0,0,0,0,1|2,0,1]=4 1252 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,0,0,0,0,1|3,0,0]=4 1253 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,0,0,0,0,1|3,0,0]=4 1254 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,0,0,0,0,1|3,0,0]=4 1255 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,0,0,0,0,1|3,0,0]=4 1256 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,0,0,0,0,1|2,0,0]=3 1257 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,0,0,0,0,1|2,0,0]=3 1258 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,0,0,0,0,1|2,0,0]=3 1259 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,0,0,0,0,1|2,1,0]=4 1260 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,0,0,0,0,1|2,1,0]=4 1261 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,0,0,0,0,1|2,1,0]=4 1262 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,0,0,0,0,1|2,1,0]=4 1263 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,0,0,0,0,1|2,0,0]=3 1264 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,0,0,0,0,1|2,0,0]=3 1265 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,0,0,0,0,1|2,0,0]=3 1266 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,0,0,0,0,1|2,1,0]=4 1267 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,0,0,0,0,1|2,1,0]=4 1268 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [0,0,0,0,0,1|2,0,0]=3 1269 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,0,0,0,0,1|2,0,0]=3 1270 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [0,0,0,0,0,1|2,0,0]=3 1271 B11R1.20 c1cc(ncc1N)NC(=N)N TS10050 [0,0,0,0,0,1|3,0,0]=4 1272 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [0,0,0,0,0,1|2,0,0]=3 1273 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|1,0,1]=4 1274 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|1,0,0]=3 1275 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|2,0,0]=4 1276 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|2,0,0]=4 1277 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|2,0,0]=4 1278 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|1,0,1]=4 1279 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|2,0,0]=4 1280 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|2,0,0]=4 1281 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|2,0,0]=4 1282 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|2,0,0]=4 1283 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|2,0,0]=4 1284 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|2,0,0]=4 1285 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|1,1,0]=4 1286 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|2,0,0]=4 1287 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|2,0,0]=4 1288 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|1,0,1]=4 1289 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|1,0,1]=4 1290 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 1291 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 1292 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 1293 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,0]=2 1294 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,1]=4 1295 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,1]=4 1296 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,1]=4 1297 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,1]=4 1298 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,1]=4 1299 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|0,0,1]=3 1300 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|0,1,1]=4 1301 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,0]=3 1302 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,0]=3 1303 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 1304 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 1305 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 1306 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 1307 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,0]=3 1308 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,0]=3 1309 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 1310 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 1311 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 1312 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 1313 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 1314 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 1315 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 1316 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 1317 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|1,0,1]=4 1318 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|1,0,1]=4 1319 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 1320 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 1321 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 1322 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|1,0,1]=4 1323 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|1,0,1]=4 1324 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|2,0,0]=4 1325 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 1326 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [2,0,0,0,0,0|1,0,0]=3 1327 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [2,0,0,0,0,0|1,0,0]=3 1328 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [2,0,0,0,0,0|2,0,0]=4 1329 B8R1.3 Cc1ccc(cc1)Br TS09620 [2,0,0,0,0,0|1,0,1]=4 1330 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|1,0,1]=4 1331 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|1,0,1]=4 1332 B8R1.3 Cc1ccc(cc1)Cl TS39593 [2,0,0,0,0,0|1,0,1]=4 1333 B8R1.3 Cc1ccc(cc1)F TS31829 [2,0,0,0,0,0|1,0,1]=4 1334 B8R1.3 Cc1ccc(cc1)I TS07804 [2,0,0,0,0,0|1,0,1]=4 1335 B8R1.3 Cc1ccc(cc1)I TS67797 [2,0,0,0,0,0|1,0,1]=4 1336 B8R1.3 Cc1ccc(cc1)N TS04112 [2,0,0,0,0,0|0,0,1]=3 1337 B8R1.3 Cc1ccc(cc1)N TS40127 [2,0,0,0,0,0|0,0,1]=3 1338 B8R1.3 Cc1ccc(cc1)O TS05157 [2,0,0,0,0,0|1,0,0]=3 1339 B8R1.3 Cc1ccc(cc1)O TS94395 [2,0,0,0,0,0|1,0,0]=3 1340 B8R1.3 Cc1ccc(cc1)P TS32593 [2,0,0,0,0,0|0,1,1]=4 1341 B8R1.3 Cc1ccc(cc1)S TS39763 [2,0,0,0,0,0|1,0,1]=4 1342 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [2,0,0,0,0,0|1,0,1]=4 1343 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|1,0,1]=4 1344 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|2,0,0]=4 1345 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|1,0,1]=4 1346 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|1,0,1]=4 1347 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|2,0,0]=4 1348 B8R1.3 Cc1ccn(=O)cc1 TS09774 [2,0,0,0,0,0|2,0,0]=4 1349 B8R1.3 c1c(cnc(n1)N)O TS00791 [2,0,0,0,0,0|2,0,0]=4 1350 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [2,0,0,0,0,0|2,0,0]=4 1351 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [2,0,0,0,0,0|1,1,0]=4 1352 B8R1.3 c1cc(ccc1Br)Br TS07885 [2,0,0,0,0,0|2,0,0]=4 1353 B8R1.3 c1cc(ccc1Br)I TS00413 [2,0,0,0,0,0|2,0,0]=4 1354 B8R1.3 c1cc(ccc1Cl)Br TS09601 [2,0,0,0,0,0|2,0,0]=4 1355 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [2,0,0,0,0,0|2,0,0]=4 1356 B8R1.3 c1cc(ccc1Cl)I TS64993 [2,0,0,0,0,0|2,0,0]=4 1357 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [2,0,0,0,0,0|2,0,0]=4 1358 B8R1.3 c1cc(ccc1F)Br TS09602 [2,0,0,0,0,0|2,0,0]=4 1359 B8R1.3 c1cc(ccc1F)Cl TS09203 [2,0,0,0,0,0|2,0,0]=4 1360 B8R1.3 c1cc(ccc1F)F TS59891 [2,0,0,0,0,0|2,0,0]=4 1361 B8R1.3 c1cc(ccc1F)I TS39508 [2,0,0,0,0,0|2,0,0]=4 1362 B8R1.3 c1cc(ccc1F)S TS05333 [2,0,0,0,0,0|1,1,0]=4 1363 B8R1.3 c1cc(ccc1F)S TS12288 [2,0,0,0,0,0|1,1,0]=4 1364 B8R1.3 c1cc(ccc1I)I TS46809 [2,0,0,0,0,0|2,0,0]=4 1365 B8R1.3 c1cc(ccc1N)Br TS70992 [2,0,0,0,0,0|1,0,0]=3 1366 B8R1.3 c1cc(ccc1N)Cl TS42659 [2,0,0,0,0,0|1,0,0]=3 1367 B8R1.3 c1cc(ccc1N)Cl TS71059 [2,0,0,0,0,0|1,0,0]=3 1368 B8R1.3 c1cc(ccc1N)F TS71137 [2,0,0,0,0,0|1,0,0]=3 1369 B8R1.3 c1cc(ccc1N)I TS71193 [2,0,0,0,0,0|1,0,0]=3 1370 B8R1.3 c1cc(ccc1N)N TS38978 [2,0,0,0,0,0|1,0,0]=3 1371 B8R1.3 c1cc(ccc1N)O TS07145 [2,0,0,0,0,0|0,0,0]=2 1372 B8R1.3 c1cc(ccc1N)O TS59709 [2,0,0,0,0,0|0,0,0]=2 1373 B8R1.3 c1cc(ccc1N)S TS39734 [2,0,0,0,0,0|0,1,0]=3 1374 B8R1.3 c1cc(ccc1O)Cl TS36377 [2,0,0,0,0,0|1,0,0]=3 1375 B8R1.3 c1cc(ccc1O)Cl TS40947 [2,0,0,0,0,0|1,0,0]=3 1376 B8R1.3 c1cc(ccc1O)F TS33165 [2,0,0,0,0,0|1,0,0]=3 1377 B8R1.3 c1cc(ccc1O)I TS59518 [2,0,0,0,0,0|1,0,0]=3 1378 B8R1.3 c1cc(ccc1O)O TS01676 [2,0,0,0,0,0|1,0,0]=3 1379 B8R1.3 c1cc(ccc1O)O TS02292 [2,0,0,0,0,0|1,0,0]=3 1380 B8R1.3 c1cc(ccc1O)O TS24537 [2,0,0,0,0,0|1,0,0]=3 1381 B8R1.3 c1cc(ccc1O)S TS36138 [2,0,0,0,0,0|1,0,0]=3 1382 B8R1.3 c1cc(ccc1S)Br TS39741 [2,0,0,0,0,0|1,1,0]=4 1383 B8R1.3 c1cc(ccc1S)Cl TS07052 [2,0,0,0,0,0|1,1,0]=4 1384 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [2,0,0,0,0,0|2,0,0]=4 1385 B8R1.3 c1cc(ncc1Br)N TS47431 [2,0,0,0,0,0|2,0,0]=4 1386 B8R1.3 c1cc(ncc1Br)N TS90623 [2,0,0,0,0,0|2,0,0]=4 1387 B8R1.3 c1cc(ncc1Br)O TS09781 [2,0,0,0,0,0|2,0,0]=4 1388 B8R1.3 c1cc(ncc1Cl)N TS00778 [2,0,0,0,0,0|2,0,0]=4 1389 B8R1.3 c1cc(ncc1Cl)O TS71496 [2,0,0,0,0,0|2,0,0]=4 1390 B8R1.3 c1cc(ncc1F)N TS00788 [2,0,0,0,0,0|2,0,0]=4 1391 B8R1.3 c1cc(ncc1F)N TS85448 [2,0,0,0,0,0|2,0,0]=4 1392 B8R1.3 c1cc(ncc1F)O TS71538 [2,0,0,0,0,0|2,0,0]=4 1393 B8R1.3 c1cc(ncc1I)N TS47435 [2,0,0,0,0,0|2,0,0]=4 1394 B8R1.3 c1cc(ncc1I)O TS60294 [2,0,0,0,0,0|2,0,0]=4 1395 B8R1.3 c1cc(ncc1N)Br TS65865 [2,0,0,0,0,0|2,0,0]=4 1396 B8R1.3 c1cc(ncc1N)Cl TS71356 [2,0,0,0,0,0|2,0,0]=4 1397 B8R1.3 c1cc(ncc1N)F TS01234 [2,0,0,0,0,0|2,0,0]=4 1398 B8R1.3 c1cc(ncc1N)I TS71363 [2,0,0,0,0,0|2,0,0]=4 1399 B8R1.3 c1cc(ncc1N)N TS47239 [2,0,0,0,0,0|2,0,0]=4 1400 B8R1.3 c1cc(ncc1N)N TS47240 [2,0,0,0,0,0|2,0,0]=4 1401 B8R1.3 c1cc(ncc1N)O TS07283 [2,0,0,0,0,0|1,0,0]=3 1402 B8R1.3 c1cc(ncc1N)O TS71362 [2,0,0,0,0,0|1,0,0]=3 1403 B8R1.3 c1cc(ncc1O)Br TS08346 [2,0,0,0,0,0|2,0,0]=4 1404 B8R1.3 c1cc(ncc1O)Cl TS55249 [2,0,0,0,0,0|2,0,0]=4 1405 B8R1.3 c1cc(ncc1O)F TS01000 [2,0,0,0,0,0|2,0,0]=4 1406 B8R1.3 c1cc(ncc1O)I TS23214 [2,0,0,0,0,0|2,0,0]=4 1407 B8R1.3 c1cc(ncc1O)N TS00790 [2,0,0,0,0,0|1,0,0]=3 1408 B8R1.3 c1cc(ncc1O)O TS47263 [2,0,0,0,0,0|2,0,0]=4 1409 B8R1.3 c1cn(=O)ccc1Cl TS05502 [2,0,0,0,0,0|2,0,0]=4 1410 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,1]=4 1412 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|1,0,1]=4 1413 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|1,0,1]=4 1415 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,1,0,0,0,0|1,0,0]=3 1416 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|1,0,0]=3 1418 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [1,1,0,0,0,0|1,0,0]=3 1421 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [1,1,0,0,0,0|1,0,0]=3 1422 B10R1.1 c1cc(ccc1C=NO)F TS37276 [1,1,0,0,0,0|1,0,0]=3 1423 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|1,0,0]=3 1426 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|1,0,0]=3 1427 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|0,0,0]=2 1429 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|1,0,1]=4 1431 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|1,0,1]=4 1433 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|1,0,1]=4 1434 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|0,0,1]=3 1436 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [1,1,0,0,0,0|1,0,0]=3 1445 B10R1.1 c1cc(ccc1NC=O)F TS37270 [1,1,0,0,0,0|1,0,0]=3 1446 B10R1.1 c1cc(ccc1NC=O)O TS37097 [1,1,0,0,0,0|1,0,0]=3 1447 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,1,0,0,0,0|1,0,0]=3 1448 B10R1.3 C1=CC(=NO)C=CC1=NO TS06241 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,1,0,0,0,0|1,0,0]=3 1452 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,1,0,0,0,0|2,0,0]=4 1455 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,1,0,0,0,0|1,0,0]=3 1456 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,1,0,0,0,0|2,0,0]=4 1460 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,1,0,0,0,0|1,0,0]=3 1462 B10R1.3 COc1ccc(cc1)CN TS03142 [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.3 COc1ccc(cc1)NN TS45874 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,1,0,0,0,0|1,0,0]=3 1467 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,1,0,0,0,0|1,0,1]=4 1468 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.3 c1cc(ccc1C#N)NN TS03066 [1,1,0,0,0,0|1,0,1]=4 1470 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,1,0,0,0,0|0,0,1]=3 1471 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,1,0,0,0,0|1,0,0]=3 1472 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,1,0,0,0,0|1,0,0]=3 1473 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,1,0,0,0,0|1,0,1]=4 1474 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,1,0,0,0,0|1,0,1]=4 1475 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,1,0,0,0,0|0,0,1]=3 1476 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,1,0,0,0,0|0,0,1]=3 1477 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,1,0,0,0,0|0,0,2]=4 1478 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,1,0,0,0,0|1,0,1]=4 1479 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,1,0,0,0,0|1,0,1]=4 1480 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.25 COc1ccc(cc1F)N TS02745 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.25 COc1ccc(cc1I)N TS39440 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.25 COc1ccc(cc1I)N TS54863 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.25 COc1ccc(cc1N)N TS37199 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.25 COc1ccc(cc1N)N TS43949 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.25 COc1ccc(cc1N)N TS56780 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,1,0,0,0,0|1,0,0]=3 1493 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [1,1,0,0,0,0|1,0,0]=3 1494 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [1,1,0,0,0,0|1,0,0]=3 1495 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|1,0,1]=4 1496 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,1,0,0,0,0|1,0,0]=3 1500 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,1,0,0,0,0|1,0,0]=3 1502 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,1,0,0,0,0|1,0,0]=3 1504 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|1,0,0]=3 1505 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.25 c1c(c(nc(n1)N)N)C=O TS37164 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [1,1,0,0,0,0|1,0,0]=3 1512 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [1,1,0,0,0,0|1,0,0]=3 1513 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,1,0,0,0,0|1,0,0]=3 1515 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,1,0,0,0,0|1,0,0]=3 1517 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [1,1,0,0,0,0|1,0,0]=3 1519 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|1,0,1]=4 1520 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,1,0,0,0,0|1,0,0]=3 1521 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [1,1,0,0,0,0|1,0,0]=3 1522 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [1,1,0,0,0,0|1,0,0]=3 1524 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|1,0,1]=4 1525 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [1,1,0,0,0,0|1,0,0]=3 1526 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|1,0,1]=4 1527 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,1,0,0,0,0|1,0,0]=3 1528 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [1,1,0,0,0,0|1,0,0]=3 1529 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [1,1,0,0,0,0|1,0,0]=3 1530 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [1,1,0,0,0,0|1,0,1]=4 1531 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [1,1,0,0,0,0|1,0,1]=4 1532 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [1,1,0,0,0,0|1,0,0]=3 1533 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [1,1,0,0,0,0|1,0,0]=3 1534 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,1,0,0,0,0|1,0,0]=3 1535 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.25 c1cc(nc(c1N=O)N)N TS37163 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.176 COc1ccc(c(c1)F)N TS55333 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.176 COc1ccc(c(c1)I)N TS60298 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.176 COc1ccc(c(c1)N)N TS94383 [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,1,0,0,0,0|1,0,0]=3 1551 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,1,0,0,0,0|1,0,0]=3 1552 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|1,0,0]=3 1559 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,1,0,0,0,0|1,0,0]=3 1561 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,1,0,0,0,0|1,0,0]=3 1564 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.176 c1cc(c(cc1C#N)Br)N TS39468 [1,1,0,0,0,0|1,0,1]=4 1568 B10R1.176 c1cc(c(cc1C#N)Cl)N TS39469 [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.176 c1cc(c(cc1C#N)F)N TS02744 [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.176 c1cc(c(cc1C#N)I)N TS70885 [1,1,0,0,0,0|1,0,1]=4 1571 B10R1.176 c1cc(c(cc1C#N)N)N TS02528 [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,1,0,0,0,0|1,0,0]=3 1573 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,1,0,0,0,0|1,0,0]=3 1574 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,1,0,0,0,0|1,0,0]=3 1575 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [1,1,0,0,0,0|1,0,0]=3 1576 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [1,1,0,0,0,0|1,0,0]=3 1577 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,1,0,0,0,0|1,0,0]=3 1578 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [1,1,0,0,0,0|1,0,0]=3 1579 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [1,1,0,0,0,0|1,0,0]=3 1580 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [1,1,0,0,0,0|1,0,0]=3 1581 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [1,1,0,0,0,0|1,0,0]=3 1582 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,1,0,0,0,0|1,0,0]=3 1583 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [1,1,0,0,0,0|1,0,0]=3 1584 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [1,1,0,0,0,0|1,0,0]=3 1585 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,1,0,0,0,0|1,0,0]=3 1586 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,1,0,0,0,0|1,0,0]=3 1587 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,1,0,0,0,0|1,0,0]=3 1588 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,1,0,0,0,0|1,0,1]=4 1589 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,1,0,0,0,0|1,0,1]=4 1590 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,1,0,0,0,0|1,0,1]=4 1591 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,1,0,0,0,0|1,0,1]=4 1592 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,1,0,0,0,0|1,0,1]=4 1593 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,1,0,0,0,0|1,0,1]=4 1594 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,1,0,0,0,0|1,0,1]=4 1595 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,1,0,0,0,0|1,0,1]=4 1596 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.15 C=C(CO)c1ccncc1 TS36912 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,1]=4 1599 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,1]=4 1601 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,1]=4 1602 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,1,0,0,0,0|1,0,0]=3 1604 B10R1.15 CC(=NO)c1cccnc1 TS06046 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.15 CC(=NO)c1ccncc1 TS06055 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|1,0,1]=4 1607 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,0]=3 1610 B10R1.15 CCC(=O)c1ccccn1 TS36934 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.15 CCC(=O)c1cccnc1 TS36927 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.15 CCC(=O)c1ccncc1 TS36919 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,1,0,0,0,0|2,0,0]=4 1616 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,1,0,0,0,0|1,0,0]=3 1618 B10R1.15 CNC(=O)c1cccnc1 TS06060 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.15 COC(=N)c1ccccc1 TS45386 [1,1,0,0,0,0|1,0,0]=3 1620 B10R1.15 COC(=N)c1ccccn1 TS02314 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,1,0,0,0,0|0,0,0]=2 1623 B10R1.15 COC(=O)c1ccccn1 TS06161 [1,1,0,0,0,0|1,0,0]=3 1624 B10R1.15 COC(=O)c1cccnc1 TS37100 [1,1,0,0,0,0|1,0,0]=3 1625 B10R1.15 COC(=O)c1cccnn1 TS90030 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.15 COC(=O)c1ccncc1 TS06163 [1,1,0,0,0,0|1,0,0]=3 1627 B10R1.15 COC(=O)c1ccncn1 TS59823 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.15 COC(=O)c1ccnnc1 TS90861 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.15 COC(=O)c1cncnc1 TS01558 [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.15 COC(=O)c1ncccn1 TS01557 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.15 COS(=O)c1ccccc1 TS10693 [1,1,0,0,0,0|1,0,0]=3 1632 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,1]=4 1634 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,1]=4 1636 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [1,1,0,0,0,0|1,0,0]=3 1641 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [1,1,0,0,0,0|1,0,0]=3 1644 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,1,0,0,0,0|0,0,1]=3 1646 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,0]=3 1647 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|0,0,0]=2 1650 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [1,1,0,0,0,0|1,0,0]=3 1651 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [1,1,0,0,0,0|0,0,0]=2 1652 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [1,1,0,0,0,0|0,0,1]=3 1653 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [1,1,0,0,0,0|0,0,1]=3 1654 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,1]=4 1655 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|0,0,2]=4 1659 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [1,1,0,0,0,0|1,0,1]=4 1660 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [1,1,0,0,0,0|1,0,1]=4 1661 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,1]=4 1663 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,1]=4 1664 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|0,0,2]=4 1666 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 1667 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,1]=4 1668 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,1]=4 1669 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|0,0,2]=4 1671 B10R1.15 c1ccnc(c1)C(=NO)N TS06176 [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.15 c1cnccc1C(=NO)N TS77169 [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.15 c1cnccc1C(=O)CBr TS16896 [1,1,0,0,0,0|2,0,0]=4 1677 B10R1.15 c1cnccc1C(=O)NN TS06172 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.28 CC(C)(c1ccccc1)O TS37014 [1,1,0,0,0,0|1,0,1]=4 1679 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|1,0,0]=3 1680 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|1,0,1]=4 1683 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [1,1,0,0,0,0|1,0,0]=3 1686 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [1,1,0,0,0,0|1,0,1]=4 1687 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [1,1,0,0,0,0|1,0,1]=4 1688 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [1,1,0,0,0,0|1,0,1]=4 1691 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [1,1,0,0,0,0|1,0,0]=3 1693 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [1,1,0,0,0,0|1,0,1]=4 1694 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [1,1,0,0,0,0|1,0,1]=4 1695 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [1,1,0,0,0,0|1,0,1]=4 1696 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [1,1,0,0,0,0|1,0,1]=4 1697 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [1,1,0,0,0,0|1,0,1]=4 1698 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [1,1,0,0,0,0|1,0,1]=4 1699 B10R1.28 c1ccnc(c1)S(=O)(=O)O TS59373 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.28 c1cnccc1S(=O)(=O)O TS11115 [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [1,1,0,0,0,0|1,0,1]=4 1702 B10R1.61 B(c1ccccc1C)(O)O TS02443 [1,1,0,0,0,0|1,0,1]=4 1703 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [1,1,0,0,0,0|1,0,1]=4 1704 B10R1.61 B(c1ccccc1F)(O)O TS37322 [1,1,0,0,0,0|1,0,1]=4 1705 B10R1.61 B(c1ccccc1I)(O)O TS27680 [1,1,0,0,0,0|1,0,1]=4 1706 B10R1.61 B(c1ccccc1N)(O)O TS45687 [1,1,0,0,0,0|1,0,1]=4 1707 B10R1.61 B(c1ccccc1N)(O)O TS94617 [1,1,0,0,0,0|1,0,1]=4 1708 B10R1.61 B(c1ccccc1O)(O)O TS55396 [1,1,0,0,0,0|1,0,1]=4 1709 B10R1.61 B(c1ccccc1S)(O)O TS94336 [1,1,0,0,0,0|1,0,1]=4 1710 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|1,0,0]=3 1716 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|1,0,0]=3 1717 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|1,0,0]=3 1718 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|1,0,0]=3 1719 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,0]=3 1720 B10R1.61 CC(=O)c1cccnc1Br TS18940 [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.61 CC(=O)c1cccnc1F TS02616 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.61 CC(=O)c1cccnc1N TS08276 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.61 CC(=O)c1cnccc1F TS37273 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,1,0,0,0,0|1,0,1]=4 1730 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,1,0,0,0,0|1,0,1]=4 1731 B10R1.61 CC(c1ccccc1F)O TS08150 [1,1,0,0,0,0|1,0,1]=4 1732 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [1,1,0,0,0,0|0,0,2]=4 1733 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,1,0,0,0,0|1,0,1]=4 1735 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,1,0,0,0,0|1,0,1]=4 1736 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,1,0,0,0,0|1,0,1]=4 1737 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,1,0,0,0,0|1,0,1]=4 1738 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,1,0,0,0,0|1,0,1]=4 1739 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [1,1,0,0,0,0|1,0,0]=3 1740 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [1,1,0,0,0,0|2,0,0]=4 1743 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|1,0,0]=3 1746 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [1,1,0,0,0,0|1,0,0]=3 1747 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,1,0,0,0,0|1,0,0]=3 1748 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,1,0,0,0,0|0,0,0]=2 1749 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,1,0,0,0,0|1,1,0]=4 1750 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|1,0,1]=4 1751 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [1,1,0,0,0,0|1,0,1]=4 1752 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,1,0,0,0,0|1,0,0]=3 1753 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,1,0,0,0,0|1,0,0]=3 1754 B10R1.61 Cc1ccncc1C(=O)O TS39766 [1,1,0,0,0,0|1,0,0]=3 1755 B10R1.61 Cc1ccncc1C(=O)O TS71235 [1,1,0,0,0,0|1,0,0]=3 1756 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.61 Cc1cnccc1C(=O)N TS02849 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,1,0,0,0,0|1,0,0]=3 1759 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,1,0,0,0,0|1,0,0]=3 1760 B10R1.61 Cc1cnncc1C(=O)O TS87483 [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [1,1,0,0,0,0|2,0,0]=4 1762 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [1,1,0,0,0,0|2,0,0]=4 1763 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [1,1,0,0,0,0|1,0,0]=3 1767 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,1,0,0,0,0|1,0,0]=3 1770 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,1,0,0,0,0|1,0,0]=3 1771 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,1,0,0,0,0|1,0,0]=3 1772 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,1,0,0,0,0|1,0,0]=3 1773 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,1,0,0,0,0|1,0,0]=3 1775 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,1,0,0,0,0|1,0,0]=3 1776 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [1,1,0,0,0,0|1,0,0]=3 1779 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [1,1,0,0,0,0|1,0,0]=3 1780 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [1,1,0,0,0,0|1,0,0]=3 1781 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [1,1,0,0,0,0|2,0,0]=4 1782 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,1,0,0,0,0|1,0,0]=3 1783 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,1,0,0,0,0|1,0,0]=3 1784 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [1,1,0,0,0,0|1,0,0]=3 1785 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [1,1,0,0,0,0|1,0,0]=3 1786 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [1,1,0,0,0,0|1,0,0]=3 1788 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,1,0,0,0,0|1,0,0]=3 1789 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [1,1,0,0,0,0|1,0,0]=3 1790 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [1,1,0,0,0,0|1,0,0]=3 1791 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,1,0,0,0,0|1,0,0]=3 1792 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,1,0,0,0,0|1,0,0]=3 1793 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,1,0,0,0,0|1,0,0]=3 1794 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,1,0,0,0,0|1,0,0]=3 1795 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|1,0,0]=3 1797 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,1,0,0,0,0|0,0,0]=2 1798 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,1,0,0,0,0|0,0,0]=2 1799 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,1,0,0,0,0|0,0,0]=2 1800 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,1,0,0,0,0|0,0,0]=2 1801 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,1,0,0,0,0|0,0,0]=2 1802 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,1,0,0,0,0|0,0,0]=2 1803 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,1,0,0,0,0|0,0,0]=2 1804 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,1,0,0,0,0|0,0,0]=2 1805 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [1,1,0,0,0,0|0,0,1]=3 1806 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,1,0,0,0,0|0,0,1]=3 1807 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,1,0,0,0,0|0,0,1]=3 1808 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,1,0,0,0,0|0,0,1]=3 1809 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,1,0,0,0,0|0,0,1]=3 1810 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,1,0,0,0,0|0,0,1]=3 1811 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,1,0,0,0,0|0,0,1]=3 1812 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,1,0,0,0,0|0,0,1]=3 1813 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,1,0,0,0,0|0,0,1]=3 1814 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,1,0,0,0,0|0,0,1]=3 1815 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,1,0,0,0,0|0,0,1]=3 1816 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,1,0,0,0,0|0,0,1]=3 1817 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,1,0,0,0,0|0,0,1]=3 1818 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [1,1,0,0,0,0|0,0,1]=3 1819 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,1,0,0,0,0|1,1,0]=4 1820 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,1,0,0,0,0|1,1,0]=4 1821 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,1,0,0,0,0|1,1,0]=4 1822 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,1,0,0,0,0|1,1,0]=4 1823 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,1,0,0,0,0|1,1,0]=4 1824 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [1,1,0,0,0,0|1,0,1]=4 1825 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [1,1,0,0,0,0|1,0,1]=4 1826 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [1,1,0,0,0,0|1,0,1]=4 1827 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [1,1,0,0,0,0|1,0,1]=4 1828 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [1,1,0,0,0,0|1,0,1]=4 1829 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [1,1,0,0,0,0|1,0,1]=4 1830 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,1,0,0,0,0|1,0,1]=4 1831 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,1,0,0,0,0|1,0,1]=4 1832 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [1,1,0,0,0,0|1,0,1]=4 1833 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [1,1,0,0,0,0|1,0,0]=3 1837 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,1,0,0,0,0|1,0,0]=3 1839 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,1,0,0,0,0|1,0,0]=3 1840 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,1,0,0,0,0|1,0,0]=3 1842 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,1,0,0,0,0|1,0,0]=3 1843 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,1,0,0,0,0|1,0,0]=3 1844 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,1,0,0,0,0|1,0,0]=3 1845 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,1,0,0,0,0|1,0,0]=3 1846 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,1,0,0,0,0|1,0,0]=3 1847 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [1,1,0,0,0,0|1,0,0]=3 1848 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [1,1,0,0,0,0|1,0,0]=3 1849 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [1,1,0,0,0,0|2,0,0]=4 1850 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,1,0,0,0,0|1,0,0]=3 1851 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,1,0,0,0,0|1,0,0]=3 1852 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [1,1,0,0,0,0|1,0,0]=3 1853 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [1,1,0,0,0,0|2,0,0]=4 1855 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [1,1,0,0,0,0|1,0,1]=4 1856 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [1,1,0,0,0,0|1,0,1]=4 1857 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [1,1,0,0,0,0|1,0,1]=4 1858 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [1,1,0,0,0,0|1,0,1]=4 1859 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [1,1,0,0,0,0|1,0,1]=4 1860 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [1,1,0,0,0,0|1,0,1]=4 1861 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [1,1,0,0,0,0|1,0,1]=4 1862 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [1,1,0,0,0,0|1,0,1]=4 1863 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [1,1,0,0,0,0|1,0,1]=4 1864 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [1,1,0,0,0,0|1,0,1]=4 1865 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,1,0,0,0,0|2,0,0]=4 1866 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [1,1,0,0,0,0|2,0,0]=4 1867 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [1,1,0,0,0,0|2,0,0]=4 1868 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|1,0,0]=3 1869 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|1,0,0]=3 1870 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|1,0,0]=3 1871 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|1,0,0]=3 1872 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,0]=3 1873 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,0]=3 1874 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|1,0,1]=4 1878 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|1,0,1]=4 1879 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|1,0,1]=4 1880 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|1,0,1]=4 1881 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|1,0,1]=4 1882 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|1,0,1]=4 1883 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,1,0,0,0,0|2,0,0]=4 1885 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [1,1,0,0,0,0|1,0,0]=3 1886 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [1,1,0,0,0,0|1,0,0]=3 1888 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [1,1,0,0,0,0|1,0,0]=3 1889 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,0]=3 1892 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|1,0,0]=3 1894 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,1,0,0,0,0|0,0,0]=2 1895 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,1,0,0,0,0|1,1,0]=4 1896 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,1]=4 1897 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [1,1,0,0,0,0|1,0,1]=4 1898 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,1,0,0,0,0|2,0,0]=4 1899 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,1,0,0,0,0|2,0,0]=4 1900 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [1,1,0,0,0,0|2,0,0]=4 1902 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [1,1,0,0,0,0|2,0,0]=4 1903 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [1,1,0,0,0,0|2,0,0]=4 1905 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,1,0,0,0,0|2,0,0]=4 1906 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [1,1,0,0,0,0|1,0,0]=3 1907 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [1,1,0,0,0,0|1,0,0]=3 1908 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [1,1,0,0,0,0|1,0,0]=3 1909 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [1,1,0,0,0,0|2,0,0]=4 1910 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [1,1,0,0,0,0|1,0,0]=3 1911 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [1,1,0,0,0,0|1,0,0]=3 1912 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [1,1,0,0,0,0|1,0,0]=3 1913 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [1,1,0,0,0,0|2,0,0]=4 1914 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [1,1,0,0,0,0|2,0,0]=4 1915 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [1,1,0,0,0,0|2,0,0]=4 1916 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,1,0,0,0,0|2,0,0]=4 1917 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,1,0,0,0,0|2,0,0]=4 1918 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,1,0,0,0,0|1,0,0]=3 1919 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,1,0,0,0,0|1,0,0]=3 1920 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,1,0,0,0,0|0,0,0]=2 1921 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,1,0,0,0,0|1,1,0]=4 1922 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [1,1,0,0,0,0|1,0,1]=4 1923 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,1,0,0,0,0|2,0,0]=4 1925 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [1,1,0,0,0,0|1,0,0]=3 1926 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [1,1,0,0,0,0|0,0,0]=2 1928 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,1,0,0,0,0|1,1,0]=4 1929 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [1,1,0,0,0,0|1,0,1]=4 1930 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,1,0,0,0,0|2,0,0]=4 1931 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,1,0,0,0,0|2,0,0]=4 1932 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,1,0,0,0,0|1,0,0]=3 1934 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [1,1,0,0,0,0|0,0,0]=2 1935 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [1,1,0,0,0,0|0,0,1]=3 1936 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,1,0,0,0,0|1,1,0]=4 1937 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [1,1,0,0,0,0|1,0,0]=3 1938 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,1,0,0,0,0|1,0,0]=3 1939 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [1,1,0,0,0,0|0,0,0]=2 1940 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,1,0,0,0,0|1,1,0]=4 1941 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [1,1,0,0,0,0|1,0,1]=4 1942 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,1,0,0,0,0|1,0,0]=3 1944 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [1,1,0,0,0,0|0,0,0]=2 1945 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [1,1,0,0,0,0|0,0,0]=2 1946 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [1,1,0,0,0,0|0,0,1]=3 1947 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,1,0,0,0,0|1,1,0]=4 1948 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,1,0,0,0,0|1,0,0]=3 1949 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [1,1,0,0,0,0|0,0,0]=2 1950 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [1,1,0,0,0,0|0,0,1]=3 1951 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,1,0,0,0,0|1,1,0]=4 1952 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [1,1,0,0,0,0|1,0,1]=4 1953 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [1,1,0,0,0,0|0,0,0]=2 1954 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [1,1,0,0,0,0|1,0,1]=4 1955 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [1,1,0,0,0,0|2,0,0]=4 1956 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [1,1,0,0,0,0|1,0,0]=3 1957 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [1,1,0,0,0,0|1,0,0]=3 1959 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [1,1,0,0,0,0|1,0,0]=3 1960 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [1,1,0,0,0,0|1,0,0]=3 1961 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [1,1,0,0,0,0|2,0,0]=4 1962 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [1,1,0,0,0,0|1,0,0]=3 1963 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [1,1,0,0,0,0|1,0,0]=3 1964 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [1,1,0,0,0,0|1,0,0]=3 1965 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [1,1,0,0,0,0|1,0,0]=3 1966 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [1,1,0,0,0,0|2,0,0]=4 1967 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [1,1,0,0,0,0|1,0,0]=3 1969 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [1,1,0,0,0,0|2,0,0]=4 1971 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [1,1,0,0,0,0|2,0,0]=4 1972 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [1,1,0,0,0,0|2,0,0]=4 1973 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [1,1,0,0,0,0|1,0,0]=3 1974 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [1,1,0,0,0,0|1,0,0]=3 1976 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [1,1,0,0,0,0|1,0,0]=3 1977 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [1,1,0,0,0,0|1,0,0]=3 1978 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [1,1,0,0,0,0|1,0,0]=3 1979 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [1,1,0,0,0,0|2,0,0]=4 1980 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [1,1,0,0,0,0|2,0,0]=4 1981 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [1,1,0,0,0,0|1,0,0]=3 1982 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [1,1,0,0,0,0|1,0,0]=3 1983 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [1,1,0,0,0,0|1,0,0]=3 1984 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [1,1,0,0,0,0|1,0,0]=3 1985 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [1,1,0,0,0,0|1,0,0]=3 1986 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [1,1,0,0,0,0|1,0,0]=3 1988 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,1,0,0,1,0|2,0,0]=4 1989 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,1,0,0,1,0|2,0,0]=4 1990 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,1,0,0,1,0|2,0,0]=4 1991 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,1,0,0,1,0|2,0,0]=4 1992 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,1,0,0,1,0|1,0,0]=3 1993 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,1,0,0,1,0|2,0,0]=4 1994 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,1,0,0,1,0|2,0,0]=4 1995 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,1,0,0,1,0|2,0,0]=4 1996 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,1,0,0,1,0|2,0,0]=4 1997 B10R1.14 COC(=O)c1cnc(s1)N TS08549 [0,1,0,0,1,0|2,0,0]=4 1998 B10R1.14 COC(=O)c1csc(n1)N TS08548 [0,1,0,0,1,0|2,0,0]=4 1999 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,1,0,0,1,0|2,0,0]=4 2000 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,1,0|2,0,0]=4 2001 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,1,0|2,0,0]=4 2002 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,1,0|2,0,0]=4 2003 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,1,0|2,0,0]=4 2004 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,1,0,0,1,0|2,0,0]=4 2005 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,1,0,0,1,0|2,0,0]=4 2006 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,1,0,0,1,0|2,0,0]=4 2007 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [0,1,0,0,1,0|2,0,0]=4 2008 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [0,1,0,0,1,0|2,0,0]=4 2009 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [0,1,0,0,1,0|2,0,0]=4 2010 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,1,0,0,1,0|1,0,0]=3 2011 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,1,0,0,1,0|2,0,0]=4 2012 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [0,1,0,0,1,0|2,0,0]=4 2013 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,1,0,0,1,0|2,0,0]=4 2014 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,1,0,0,1,0|2,0,0]=4 2015 B10R1.58 Cn1c(cc(n1)C(=O)O)N TS87775 [0,1,0,0,1,0|2,0,0]=4 2016 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,1,0,0,1,0|2,0,0]=4 2017 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,1,0,0,1,0|2,0,0]=4 2018 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,1,0,0,1,0|1,0,0]=3 2019 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,1,0,0,1,0|2,0,0]=4 2020 B10R1.59 Cc1c(sc(n1)N)C(=O)O TS47416 [0,1,0,0,1,0|2,0,0]=4 2021 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,1,0,0,1,0|2,0,0]=4 2022 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,1,0,0,1,0|2,0,0]=4 2023 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,1,0,0,1,0|2,0,0]=4 2024 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,1,0,0,1,0|2,0,0]=4 2025 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,1,0,0,1,0|2,0,0]=4 2026 B10R1.59 c1c(c(sc1Br)Br)C(=O)O TS54881 [0,1,0,0,1,0|2,0,0]=4 2027 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O TS00669 [0,1,0,0,1,0|2,0,0]=4 2028 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,1,0,0,1,0|2,0,0]=4 2029 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,1,0,0,1,0|2,0,0]=4 2030 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [0,1,0,0,1,0|2,0,0]=4 2031 B10R1.194 c1c(c(c(s1)Cl)Cl)C(=O)O TS18405 [0,1,0,0,1,0|2,0,0]=4 2032 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.4 CC(=O)Nc1ccc(cc1)C#N TS42159 [0,1,0,0,0,1|1,0,1]=4 2034 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.4 CC(=O)Nc1ccc(cc1)CCl TS48490 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.4 CC(=O)Nc1ccc(cc1)CN TS02940 [0,1,0,0,0,1|1,0,0]=3 2038 B12R1.4 CC(=O)Nc1ccc(cc1)CO TS42884 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.4 CC(=O)Nc1ccc(cc1)NN TS19291 [0,1,0,0,0,1|1,0,0]=3 2040 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,1,0,0,0,1|2,0,0]=4 2041 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,1,0,0,0,1|2,0,0]=4 2042 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,1,0,0,0,1|2,0,0]=4 2043 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,1,0,0,0,1|2,0,0]=4 2044 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,1,0,0,0,1|2,0,0]=4 2045 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,1,0,0,0,1|2,0,0]=4 2046 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.4 COc1ccc(cc1)CC(=O)Cl TS48666 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.4 COc1ccc(cc1)CC(=O)N TS12026 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.4 COc1ccc(cc1)CC(=O)O TS12167 [0,1,0,0,0,1|1,0,0]=3 2050 B12R1.4 COc1ccc(cc1)NC(=O)N TS12234 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.4 COc1ccc(cc1)OC(=O)Cl TS15706 [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.4 CSc1ccc(cc1)CC(=O)O TS70786 [0,1,0,0,0,1|1,0,0]=3 2053 B12R1.4 c1cc(ccc1CC(=O)O)C#N TS03064 [0,1,0,0,0,1|0,0,1]=3 2054 B12R1.4 c1cc(ccc1CC(=O)O)CBr TS16900 [0,1,0,0,0,1|1,0,0]=3 2055 B12R1.4 c1cc(ccc1CC(=O)O)CCl TS15379 [0,1,0,0,0,1|1,0,0]=3 2056 B12R1.4 c1cc(ccc1CC(=O)O)CN TS12032 [0,1,0,0,0,1|0,0,0]=2 2057 B12R1.4 c1cc(ccc1CC(=O)O)CO TS12166 [0,1,0,0,0,1|1,0,0]=3 2058 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl TS19510 [0,1,0,0,0,1|2,0,0]=4 2059 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br TS62637 [0,1,0,0,0,1|2,0,0]=4 2060 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F TS15871 [0,1,0,0,0,1|2,0,0]=4 2061 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O TS15512 [0,1,0,0,0,1|2,0,0]=4 2062 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br TS53264 [0,1,0,0,0,1|2,0,0]=4 2063 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F TS12965 [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl TS48677 [0,1,0,0,0,1|2,0,0]=4 2065 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [0,1,0,0,0,1|2,0,0]=4 2066 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O TS15519 [0,1,0,0,0,1|2,0,0]=4 2068 B12R1.19 Cc1cc(ncc1N)NC(=O)C TS12036 [0,1,0,0,0,1|2,0,0]=4 2069 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,1,0,0,0,1|2,0,0]=4 2070 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C TS48493 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.19 Cc1ccc(cc1Cl)NC(=O)N TS48676 [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.19 Cc1ccc(cc1F)CC(=O)O TS65518 [0,1,0,0,0,1|1,0,0]=3 2073 B12R1.19 Cc1ccc(cc1N)NC(=O)C TS42769 [0,1,0,0,0,1|2,0,0]=4 2074 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [0,1,0,0,0,1|1,0,0]=3 2076 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [0,1,0,0,0,1|1,0,0]=3 2077 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [0,1,0,0,0,1|1,0,0]=3 2078 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [0,1,0,0,0,1|1,0,0]=3 2079 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [0,1,0,0,0,1|1,0,0]=3 2080 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [0,1,0,0,0,1|1,0,0]=3 2081 B12R1.19 c1cc(c(cc1CC(=O)O)F)F TS45416 [0,1,0,0,0,1|1,0,0]=3 2082 B12R1.19 c1cc(c(cc1CC(=O)O)F)O TS65509 [0,1,0,0,0,1|1,0,0]=3 2083 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [0,1,0,0,0,1|1,0,0]=3 2084 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl TS60194 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.20 CC(=O)N(C)c1ccc(cc1)N TS42768 [0,1,0,0,0,1|1,0,0]=3 2087 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,1,0,0,0,1|1,0,0]=3 2088 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,1,0,0,0,1|1,0,0]=3 2089 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,1,0,0,0,1|1,0,0]=3 2090 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [0,1,0,0,0,1|1,0,0]=3 2091 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,1,0,0,0,1|1,0,0]=3 2092 B12R1.20 Cc1ccc(cc1)[C@H](C(=S)O)O TS54028 [0,1,0,0,0,1|1,1,0]=4 2093 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [0,1,0,0,0,1|1,0,1]=4 2094 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [0,1,0,0,0,1|1,0,0]=3 2095 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [0,1,0,0,0,1|1,0,0]=3 2096 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [0,1,0,0,0,1|1,0,0]=3 2097 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [0,1,0,0,0,1|1,0,0]=3 2098 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [0,1,0,0,0,1|1,0,0]=3 2099 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [0,1,0,0,0,1|1,0,0]=3 2100 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,1,0,0,0,1|1,0,0]=3 2101 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,1,0,0,0,1|1,0,0]=3 2102 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [0,1,0,0,0,1|1,0,0]=3 2103 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [0,1,0,0,0,1|1,0,0]=3 2104 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [0,1,0,0,0,1|1,0,0]=3 2105 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [0,1,0,0,0,1|1,0,0]=3 2106 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,1,0,0,0,1|1,0,0]=3 2107 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [0,1,0,0,0,1|1,0,0]=3 2108 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [0,1,0,0,0,1|1,0,0]=3 2109 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [0,1,0,0,0,1|1,0,0]=3 2110 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [0,1,0,0,0,1|0,0,0]=2 2111 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [0,1,0,0,0,1|1,0,0]=3 2112 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,1,0,0,0,1|1,0,0]=3 2113 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl TS14853 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.49 C=CC(=O)Oc1ccc(cc1)Cl TS48354 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [0,1,0,0,0,1|1,0,0]=3 2117 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [0,1,0,0,0,1|2,0,0]=4 2118 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,1,0,0,0,1|1,0,0]=3 2120 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,1,0,0,0,1|0,0,0]=2 2121 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,1,0,0,0,1|0,0,0]=2 2122 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,1,0,0,0,1|1,0,0]=3 2123 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,1,0,0,0,1|1,0,0]=3 2124 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [0,1,0,0,0,1|2,0,0]=4 2125 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [0,1,0,0,0,1|2,0,0]=4 2126 B12R1.49 c1cc(ccc1CC(=NO)N)Br TS24664 [0,1,0,0,0,1|2,0,0]=4 2127 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,1,0,0,0,1|2,0,0]=4 2128 B12R1.49 c1cc(ccc1CC(=O)NN)F TS12508 [0,1,0,0,0,1|2,0,0]=4 2129 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [0,1,0,0,0,1|2,0,0]=4 2130 B12R1.49 c1cc(ccc1NC(=O)CCl)Cl TS19677 [0,1,0,0,0,1|2,0,0]=4 2131 B12R1.49 c1cc(ccc1NC(=O)CCl)F TS15868 [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.49 c1cc(ccc1NC(=O)CCl)I TS35822 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.49 c1cc(ccc1NC(=O)CCl)O TS15525 [0,1,0,0,0,1|2,0,0]=4 2134 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS23393 [0,1,0,0,0,1|2,0,0]=4 2135 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS48796 [0,1,0,0,0,1|2,0,0]=4 2136 B12R1.106 Cc1ccc(cc1)CP(=O)(O)O TS48844 [0,1,0,0,0,1|2,0,0]=4 2137 B12R1.106 c1cc(ccc1CP(=O)(O)O)Br TS28132 [0,1,0,0,0,1|2,0,0]=4 2138 B12R1.106 c1cc(ccc1CP(=O)(O)O)N TS15756 [0,1,0,0,0,1|1,0,0]=3 2139 B12R1.106 c1cc(ccc1N)OP(=O)(O)[O-] TS43945 [0,1,0,0,0,1|1,0,0]=3 2140 B12R1.106 c1cc(ccc1N)OS(=O)(=O)O TS20353 [0,1,0,0,0,1|1,0,0]=3 2141 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,1,0,0,0,1|2,0,0]=4 2142 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,1,0,0,0,1|2,0,0]=4 2143 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,1,0,0,0,1|2,0,0]=4 2144 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,1,0,0,0,1|2,0,0]=4 2145 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,1,0,0,0,1|2,0,0]=4 2146 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,1,0,0,0,1|2,0,0]=4 2147 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,1,0,0,0,1|2,0,0]=4 2148 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,1,0,0,0,1|2,0,0]=4 2149 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,1,0,0,0,1|1,0,0]=3 2150 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,1,0,0,0,1|2,0,0]=4 2151 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,1,0,0,0,1|2,0,0]=4 2152 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,1,0,0,0,1|2,0,0]=4 2153 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,1,0,0,0,1|2,0,0]=4 2154 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,1,0,0,0,1|1,0,0]=3 2155 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,1,0,0,0,1|2,0,0]=4 2156 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,1,0,0,0,1|2,0,0]=4 2157 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,1,0,0,0,1|2,0,0]=4 2158 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,1,0,0,0,1|1,0,0]=3 2159 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,1,0,0,0,1|2,0,0]=4 2160 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,1,0,0,0,1|2,0,0]=4 2161 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,1,0,0,0,1|2,0,0]=4 2162 B12R1.233 c1c(c(cnc1Cl)CC(=O)O)Cl TS20081 [0,1,0,0,0,1|2,0,0]=4 2163 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br TS25005 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,1,0,0,0,1|1,0,0]=3 2165 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,1,0,0,0,1|1,0,0]=3 2166 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,1,0,0,0,1|2,0,0]=4 2167 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,1,0,0,0,1|1,0,0]=3 2168 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,1,0,0,0,1|2,0,0]=4 2169 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,1,0,0,0,1|1,0,0]=3 2170 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,1,0,0,0,1|1,0,0]=3 2171 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,1,0,0,0,1|1,0,0]=3 2172 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,1,0,0,0,1|1,0,0]=3 2173 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,1,0,0,0,1|1,0,0]=3 2174 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,1,0,0,0,1|1,0,0]=3 2175 B12R1.3092 CC1(C=CC=C(C=C1)C(=O)O)C TS11890 [0,1,0,0,0,1|1,0,1]=4 2176 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.5 CC[n+]1ccc(cc1)C(=O)OC TS58356 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.5 CCc1ccc(cc1)C(=O)NN TS11905 [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.5 CCc1ccc(cc1)C(=O)OC TS11864 [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.5 CNc1ccc(cc1)C(=O)OC TS12013 [0,2,0,0,0,0|0,0,0]=2 2182 B12R1.5 COC(=O)c1ccc(cc1)C#C TS42145 [0,2,0,0,0,0|1,0,0]=3 2183 B12R1.5 COC(=O)c1ccc(cc1)C#N TS16563 [0,2,0,0,0,0|0,0,1]=3 2184 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,2,0,0,0,0|1,0,0]=3 2185 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,2,0,0,0,0|1,0,0]=3 2186 B12R1.5 COC(=O)c1ccc(cc1)CBr TS08583 [0,2,0,0,0,0|1,0,0]=3 2187 B12R1.5 COC(=O)c1ccc(cc1)CCl TS08584 [0,2,0,0,0,0|1,0,0]=3 2188 B12R1.5 COC(=O)c1ccc(cc1)CN TS38169 [0,2,0,0,0,0|0,0,0]=2 2189 B12R1.5 COC(=O)c1ccc(cc1)CO TS65237 [0,2,0,0,0,0|1,0,0]=3 2190 B12R1.5 COC(=O)c1ccc(cn1)CBr TS24821 [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.5 COC(=O)c1ccc(nc1)CCl TS48793 [0,2,0,0,0,0|2,0,0]=4 2192 B12R1.5 COC(=O)c1ccc(nc1)CN TS43069 [0,2,0,0,0,0|1,0,0]=3 2193 B12R1.5 COC(=O)c1ccc(nc1)CO TS55610 [0,2,0,0,0,0|2,0,0]=4 2194 B12R1.5 COC(=O)c1ccc(nn1)NN TS86818 [0,2,0,0,0,0|2,0,0]=4 2195 B12R1.5 COc1ccc(cc1)C(=NO)Cl TS15509 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.5 COc1ccc(cc1)C(=O)C#N TS11379 [0,2,0,0,0,0|2,0,0]=4 2197 B12R1.5 COc1ccc(cc1)C(=O)C=O TS14914 [0,2,0,0,0,0|1,0,1]=4 2198 B12R1.5 COc1ccc(cc1)C(=O)CBr TS08327 [0,2,0,0,0,0|2,0,0]=4 2199 B12R1.5 COc1ccc(cc1)C(=O)CCl TS03154 [0,2,0,0,0,0|2,0,0]=4 2200 B12R1.5 COc1ccc(cc1)C(=O)CO TS12163 [0,2,0,0,0,0|1,0,0]=3 2201 B12R1.5 COc1ccc(cc1)C(=O)NN TS71218 [0,2,0,0,0,0|2,0,0]=4 2202 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,2,0,0,0,0|1,0,0]=3 2203 B12R1.5 COc1ccc(cn1)C(=O)OC TS16597 [0,2,0,0,0,0|2,0,0]=4 2204 B12R1.5 COc1ccc(nc1)C(=O)OC TS85745 [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.5 CSc1ccc(cc1)C(=NO)N TS48300 [0,2,0,0,0,0|2,0,0]=4 2206 B12R1.5 c1cc(ccc1C#N)C(=O)C=O TS11112 [0,2,0,0,0,0|0,0,2]=4 2207 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS50405 [0,2,0,0,0,0|1,0,1]=4 2208 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS85467 [0,2,0,0,0,0|1,0,1]=4 2209 B12R1.5 c1cc(ccc1C#N)C(=O)NO TS11517 [0,2,0,0,0,0|0,0,1]=3 2210 B12R1.6 CCc1ccc(cc1)S(=O)(=O)O TS15627 [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.6 CNc1ccc(cc1)S(=O)(=O)O TS50555 [0,2,0,0,0,0|1,0,0]=3 2212 B12R1.6 COc1ccc(cc1)P(=O)(O)O TS50656 [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.6 CS(=O)(=O)c1ccc(cc1)CN TS59519 [0,2,0,0,0,0|1,0,1]=4 2214 B12R1.6 CS(=O)(=O)c1ccc(cc1)NN TS23589 [0,2,0,0,0,0|1,0,1]=4 2215 B12R1.6 c1cc(ccc1CN)S(=O)(=O)N TS23590 [0,2,0,0,0,0|1,0,1]=4 2216 B12R1.6 c1cc(ccc1NN)S(=O)(=O)N TS85424 [0,2,0,0,0,0|1,0,1]=4 2217 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC TS60195 [0,2,0,0,0,0|2,0,0]=4 2218 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC TS15382 [0,2,0,0,0,0|2,0,0]=4 2219 B12R1.48 CC(=O)c1ccc(c(c1)F)OC TS65512 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.48 CC(=O)c1ccc(c(c1)I)OC TS31071 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.48 CC(=O)c1ccc(c(c1)O)OC TS12200 [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.48 CCc1ccc(cc1Br)C(=O)O TS52793 [0,2,0,0,0,0|1,0,0]=3 2223 B12R1.48 CCc1ccc(cc1I)C(=O)O TS31070 [0,2,0,0,0,0|1,0,0]=3 2224 B12R1.48 CCc1ccc(cc1N)C(=O)O TS08863 [0,2,0,0,0,0|1,0,0]=3 2225 B12R1.48 CCc1ccc(cc1O)C(=O)O TS43034 [0,2,0,0,0,0|1,0,0]=3 2226 B12R1.48 CNc1ccc(cc1Br)C(=O)O TS24819 [0,2,0,0,0,0|0,0,0]=2 2227 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] TS48991 [0,2,0,0,0,0|1,0,1]=4 2228 B12R1.48 CNc1ccc(cc1I)C(=O)O TS31198 [0,2,0,0,0,0|0,0,0]=2 2229 B12R1.48 CNc1ccc(cc1N)C(=O)O TS12227 [0,2,0,0,0,0|0,0,0]=2 2230 B12R1.48 CNc1ccc(cc1N)[N+](=O)[O-] TS43223 [0,2,0,0,0,0|1,0,1]=4 2231 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl TS65155 [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.48 COc1ccc(cc1Br)C(=O)O TS09328 [0,2,0,0,0,0|1,0,0]=3 2233 B12R1.48 COc1ccc(cc1Cl)C(=O)O TS15714 [0,2,0,0,0,0|1,0,0]=3 2234 B12R1.48 COc1ccc(cc1F)C(=O)O TS65513 [0,2,0,0,0,0|1,0,0]=3 2235 B12R1.48 COc1ccc(cc1I)C(=O)O TS39441 [0,2,0,0,0,0|1,0,0]=3 2236 B12R1.48 COc1ccc(cc1N)C(=O)N TS12206 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.48 COc1ccc(cc1N)C(=O)O TS43206 [0,2,0,0,0,0|1,0,0]=3 2238 B12R1.48 COc1ccc(cc1O)C(=O)O TS44828 [0,2,0,0,0,0|1,0,0]=3 2239 B12R1.48 COc1ccc(nc1Br)C(=O)O TS53250 [0,2,0,0,0,0|2,0,0]=4 2240 B12R1.48 Cc1cc(ccc1C#N)C(=O)O TS11368 [0,2,0,0,0,0|0,0,1]=3 2241 B12R1.48 Cc1cc(ccc1NC)[N+](=O)[O-] TS43057 [0,2,0,0,0,0|1,0,1]=4 2242 B12R1.48 Cc1cc(ccc1OC)C(=O)O TS12189 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N TS07789 [0,2,0,0,0,0|0,0,1]=3 2244 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,2,0,0,0,0|2,0,0]=4 2246 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.113 CC(=O)c1ccc(cc1)N=C=O TS11375 [0,2,0,0,0,0|1,0,1]=4 2248 B12R1.113 CC(=O)c1ccc(cc1)OCF TS44847 [0,2,0,0,0,0|2,0,0]=4 2249 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.113 CCCc1ccc(cc1)C(=O)Cl TS48367 [0,2,0,0,0,0|2,0,0]=4 2251 B12R1.113 CCCc1ccc(cc1)C(=O)N TS11728 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.113 CCCc1ccc(cc1)C(=O)O TS11894 [0,2,0,0,0,0|1,0,0]=3 2253 B12R1.113 CCNc1ccc(cc1)C(=O)O TS12030 [0,2,0,0,0,0|0,0,0]=2 2254 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] TS43074 [0,2,0,0,0,0|1,0,1]=4 2255 B12R1.113 CCOc1ccc(cc1)C(=O)C TS42745 [0,2,0,0,0,0|2,0,0]=4 2256 B12R1.113 CCOc1ccc(cc1)C(=O)C TS92946 [0,2,0,0,0,0|2,0,0]=4 2257 B12R1.113 CCOc1ccc(cc1)C(=O)Cl TS71099 [0,2,0,0,0,0|2,0,0]=4 2258 B12R1.113 CCOc1ccc(cc1)C(=O)N TS12024 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.113 CCOc1ccc(cc1)C(=O)O TS12183 [0,2,0,0,0,0|1,0,0]=3 2260 B12R1.113 CCSc1ccc(cc1)C(=O)O TS15007 [0,2,0,0,0,0|1,0,0]=3 2261 B12R1.113 CNCc1ccc(cc1)N(=O)=O TS38356 [0,2,0,0,0,0|1,0,1]=4 2262 B12R1.113 c1cc(ccc1C(=O)Cl)N=C=O TS48144 [0,2,0,0,0,0|1,0,1]=4 2263 B12R1.113 c1cc(ccc1C(=O)O)N=C=S TS47710 [0,2,0,0,0,0|0,0,1]=3 2264 B12R1.113 c1cc(ccc1C(=O)O)NC#N TS42409 [0,2,0,0,0,0|0,0,0]=2 2265 B12R1.113 c1cc(ccc1CC#N)C(=O)O TS03062 [0,2,0,0,0,0|0,0,1]=3 2266 B12R1.113 c1cc(ccc1CCBr)C(=O)O TS39728 [0,2,0,0,0,0|1,0,0]=3 2267 B12R1.113 c1cc(ccc1CCCl)C(=O)O TS48660 [0,2,0,0,0,0|1,0,0]=3 2268 B12R1.113 c1cc(ccc1CCN)C(=O)O TS12022 [0,2,0,0,0,0|0,0,0]=2 2269 B12R1.113 c1cc(ccc1CCN)C(=O)O TS19273 [0,2,0,0,0,0|0,0,0]=2 2270 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS27571 [0,2,0,0,0,0|1,0,1]=4 2271 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS43063 [0,2,0,0,0,0|1,0,1]=4 2272 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS71258 [0,2,0,0,0,0|1,0,1]=4 2273 B12R1.113 c1cc(ccc1CON)[N+](=O)[O-] TS19864 [0,2,0,0,0,0|1,0,1]=4 2274 B12R1.256 B(c1ccc(cc1)C(=O)Cl)(O)O TS07653 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O TS94588 [0,2,0,0,0,0|1,0,1]=4 2276 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O TS93282 [0,2,0,0,0,0|1,0,0]=3 2277 B12R1.256 CC(=O)c1ccc(cc1)C(=O)C TS42446 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O TS02948 [0,2,0,0,0,0|1,0,0]=3 2279 B12R1.256 CC(=O)c1ccc(cc1)N(C)C TS33161 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] TS11992 [0,2,0,0,0,0|1,0,1]=4 2281 B12R1.256 CC(C)c1ccc(cc1)C(=O)C TS39755 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.256 CC(C)c1ccc(cc1)C(=O)O TS39756 [0,2,0,0,0,0|1,0,0]=3 2283 B12R1.256 CC(c1ccc(cc1)C(=O)O)Br TS52782 [0,2,0,0,0,0|1,0,0]=3 2284 B12R1.256 CN(C)c1ccc(cc1)C(=N)N TS37815 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS22700 [0,2,0,0,0,0|1,0,0]=3 2286 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS48491 [0,2,0,0,0,0|1,0,0]=3 2287 B12R1.256 CN(C)c1ccc(cc1)N(=O)=O TS12230 [0,2,0,0,0,0|1,0,1]=4 2288 B12R1.256 CS(=O)c1ccc(cc1)C(=O)O TS15277 [0,2,0,0,0,0|1,0,0]=3 2289 B12R1.256 C[C@@H](c1ccc(cc1)[N+](=O)[O-])N TS94518 [0,2,0,0,0,0|1,0,1]=4 2290 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS08915 [0,2,0,0,0,0|1,0,1]=4 2291 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS22967 [0,2,0,0,0,0|1,0,1]=4 2292 B12R1.256 c1cc(ccc1C(=N)N)C(=N)N TS42465 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.256 c1cc(ccc1C(=N)N)C(=O)N TS18895 [0,2,0,0,0,0|1,0,0]=3 2294 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS19119 [0,2,0,0,0,0|0,0,0]=2 2295 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS42708 [0,2,0,0,0,0|0,0,0]=2 2296 B12R1.256 c1cc(ccc1C(=N)N)[N+](=O)[O-] TS09746 [0,2,0,0,0,0|1,0,1]=4 2297 B12R1.256 c1cc(ccc1C(=O)Cl)C(=O)Cl TS38369 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.256 c1cc(ccc1C(=O)Cl)[N+](=O)[O-] TS15502 [0,2,0,0,0,0|1,0,1]=4 2299 B12R1.256 c1cc(ccc1C(=O)N)C(=O)N TS11833 [0,2,0,0,0,0|1,0,0]=3 2300 B12R1.256 c1cc(ccc1C(=O)N)C(=O)O TS11995 [0,2,0,0,0,0|0,0,0]=2 2301 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] TS33170 [0,2,0,0,0,0|1,0,1]=4 2302 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O TS16700 [0,2,0,0,0,0|1,0,0]=3 2303 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS25699 [0,2,0,0,0,0|0,0,1]=3 2304 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS60157 [0,2,0,0,0,0|0,0,1]=3 2305 B12R1.256 c1cc(ccc1C(=O)S)C(=O)S TS54050 [0,2,0,0,0,0|1,1,0]=4 2306 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS20847 [0,2,0,0,0,0|1,0,1]=4 2307 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS46357 [0,2,0,0,0,0|1,0,1]=4 2308 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS50655 [0,2,0,0,0,0|1,0,1]=4 2309 B12R1.256 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] TS19955 [0,2,0,0,0,0|0,0,2]=4 2310 B12R1.256 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] TS50862 [0,2,0,0,0,0|0,0,2]=4 2311 B12R1.256 c1cc(ccc1C(=S)N)[N+](=O)[O-] TS48249 [0,2,0,0,0,0|1,0,1]=4 2312 B12R1.256 c1cc(ncc1C(=O)O)C(=O)O TS59372 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.256 c1cc(ncc1C(=O)O)[N+](=O)[O-] TS09386 [0,2,0,0,0,0|1,0,1]=4 2314 B12R1.256 c1cc(ncc1[N+](=O)[O-])C(=O)O TS55493 [0,2,0,0,0,0|1,0,1]=4 2315 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [0,2,0,0,0,0|1,0,0]=3 2320 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [0,2,0,0,0,0|1,0,0]=3 2321 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [0,2,0,0,0,0|1,0,0]=3 2323 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,2,0,0,0,0|1,0,0]=3 2325 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,2,0,0,0,0|1,0,0]=3 2327 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CN TS65098 [0,2,0,0,0,0|1,0,1]=4 2329 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [0,2,0,0,0,0|0,0,1]=3 2330 B12R1.9 CNS(=O)(=O)c1ccc(cc1)N TS03007 [0,2,0,0,0,0|1,0,1]=4 2331 B12R1.9 COS(=O)(=O)c1ccc(cc1)Cl TS20283 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC TS15626 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.23 CS(=O)(=O)c1ccc(c(c1)Cl)N TS20058 [0,2,0,0,0,0|1,0,1]=4 2334 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)N TS08410 [0,2,0,0,0,0|1,0,1]=4 2335 B12R1.23 Cc1cc(ccc1N)S(=O)(=O)N TS70889 [0,2,0,0,0,0|1,0,1]=4 2336 B12R1.23 Cc1cc(ccc1N)S(=O)(=O)O TS50552 [0,2,0,0,0,0|1,0,0]=3 2337 B12R1.23 Cc1cc(ccc1N)S(=O)(=O)[O-] TS20708 [0,2,0,0,0,0|1,0,1]=4 2338 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)O TS50717 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.23 Cc1ccc(cc1N)S(=O)(=O)O TS50551 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.23 c1c(cnc(c1Br)N)S(=O)(=O)O TS63214 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.23 c1cc(c(cc1S(=O)(=O)F)Cl)N TS43685 [0,2,0,0,0,0|1,0,1]=4 2342 B12R1.23 c1cc(c(cc1S(=O)(=O)N)Cl)N TS20286 [0,2,0,0,0,0|1,0,1]=4 2343 B12R1.23 c1cc(c(cc1S(=O)(=O)N)N)N TS50557 [0,2,0,0,0,0|1,0,1]=4 2344 B12R1.23 c1cc(c(cc1S(=O)(=O)O)Cl)Cl TS24319 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.23 c1cc(c(cc1S(=O)(=O)O)Cl)N TS20436 [0,2,0,0,0,0|1,0,0]=3 2346 B12R1.23 c1cc(c(cc1S(=O)(=O)O)N)Cl TS20438 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.23 c1cc(c(cc1S(=O)(=O)O)N)N TS15961 [0,2,0,0,0,0|1,0,0]=3 2348 B12R1.23 c1cc(c(cc1S(=O)(=O)O)N)O TS50893 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.23 c1cc(c(cc1[As](=O)(O)O)N)O TS53424 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.126 CS(=O)(=O)c1ccc(cc1Cl)N TS20057 [0,2,0,0,0,0|1,0,1]=4 2351 B12R1.126 Cc1cc(ccc1S(=O)(=O)O)N TS50556 [0,2,0,0,0,0|1,0,0]=3 2352 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)O TS48909 [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.126 c1cc(c(cc1N)N)S(=O)(=O)O TS15962 [0,2,0,0,0,0|1,0,0]=3 2354 B12R1.126 c1cc(c(cc1N)N)S(=O)(=O)[O-] TS20886 [0,2,0,0,0,0|1,0,1]=4 2355 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,2,0,0,0,0|1,0,0]=3 2359 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,2,0,0,0,0|2,0,0]=4 2360 B12R1.56 CCc1cc(ccc1F)C(=O)O TS44846 [0,2,0,0,0,0|1,0,0]=3 2361 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,2,0,0,0,0|1,0,0]=3 2362 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,2,0,0,0,0|1,0,0]=3 2363 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,2,0,0,0,0|1,0,0]=3 2364 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,2,0,0,0,0|0,0,0]=2 2365 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,2,0,0,0,0|1,0,1]=4 2366 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,2,0,0,0,0|1,0,0]=3 2367 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,2,0,0,0,0|1,0,1]=4 2368 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,2,0,0,0,0|1,0,0]=3 2370 B12R1.56 c1cc(c(cc1C(=O)N)C=O)F TS65136 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.56 c1cc(c(cc1C(=O)O)C#N)F TS09362 [0,2,0,0,0,0|1,0,0]=3 2372 B12R1.56 c1cc(c(cc1C(=O)O)C=O)F TS12470 [0,2,0,0,0,0|1,0,0]=3 2373 B12R1.56 c1cc(c(cc1C(=O)O)C=O)O TS12140 [0,2,0,0,0,0|1,0,0]=3 2374 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C#N)N TS39639 [0,2,0,0,0,0|1,0,1]=4 2375 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F TS39128 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F TS17188 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.232 CC(=O)c1cc(c(cc1F)F)F TS65321 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O TS00007 [0,2,0,0,0,0|1,0,0]=3 2379 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F TS02220 [0,2,0,0,0,0|1,0,0]=3 2380 B12R1.232 Cc1cc(c(cc1C(=O)O)I)C TS31072 [0,2,0,0,0,0|1,0,0]=3 2381 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.232 Cc1cc(c(cc1C)C(=O)O)C TS11857 [0,2,0,0,0,0|1,0,0]=3 2383 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,2,0,0,0,0|2,0,0]=4 2386 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,2,0,0,0,0|1,0,0]=3 2387 B12R1.232 Cc1cc(c(cc1F)C(=O)Cl)F TS17187 [0,2,0,0,0,0|2,0,0]=4 2388 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F TS02134 [0,2,0,0,0,0|1,0,0]=3 2389 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O TS02127 [0,2,0,0,0,0|1,0,0]=3 2390 B12R1.232 Cc1cc(c(cc1N)F)[N+](=O)[O-] TS45087 [0,2,0,0,0,0|1,0,1]=4 2391 B12R1.232 Cc1cc(c(cc1O)C(=O)O)Cl TS32912 [0,2,0,0,0,0|1,0,0]=3 2392 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])C)N TS43059 [0,2,0,0,0,0|1,0,1]=4 2394 B12R1.232 c1c(c(cc(c1Br)Br)F)C(=O)O TS55992 [0,2,0,0,0,0|1,0,0]=3 2395 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,2,0,0,0,0|1,0,0]=3 2396 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,2,0,0,0,0|1,0,0]=3 2397 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS25324 [0,2,0,0,0,0|1,0,0]=3 2398 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS28135 [0,2,0,0,0,0|1,0,0]=3 2399 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,2,0,0,0,0|1,0,0]=3 2400 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,2,0,0,0,0|1,0,0]=3 2401 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,2,0,0,0,0|1,0,0]=3 2402 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,2,0,0,0,0|1,0,0]=3 2403 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,2,0,0,0,0|1,0,0]=3 2404 B12R1.232 c1c(c(cc(c1Cl)[N+](=O)[O-])Cl)N TS39119 [0,2,0,0,0,0|1,0,1]=4 2405 B12R1.232 c1c(c(cc(c1Cl)[N+](=O)[O-])O)N TS16075 [0,2,0,0,0,0|1,0,1]=4 2406 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)Cl TS74182 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O TS60382 [0,2,0,0,0,0|1,0,0]=3 2408 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl TS24412 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N TS20479 [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,2,0,0,0,0|1,0,0]=3 2411 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl TS43929 [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,2,0,0,0,0|1,0,0]=3 2413 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O TS16836 [0,2,0,0,0,0|1,0,0]=3 2414 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)Cl TS43931 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O TS00873 [0,2,0,0,0,0|1,0,0]=3 2416 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl TS17960 [0,2,0,0,0,0|2,0,0]=4 2417 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)N TS45907 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O TS00582 [0,2,0,0,0,0|1,0,0]=3 2419 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] TS53952 [0,2,0,0,0,0|1,0,1]=4 2420 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O TS34691 [0,2,0,0,0,0|1,0,0]=3 2421 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.232 c1c(c(cc(c1F)N)F)C(=O)O TS65116 [0,2,0,0,0,0|0,0,0]=2 2423 B12R1.232 c1c(c(cc(c1F)[N+](=O)[O-])F)N TS13432 [0,2,0,0,0,0|1,0,1]=4 2424 B12R1.232 c1c(c(cc(c1N)Cl)N(=O)=O)N TS15858 [0,2,0,0,0,0|1,0,1]=4 2425 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,2,0,0,0,0|1,0,0]=3 2426 B12R1.232 c1c(c(cc(c1N)[N+](=O)[O-])N)N TS44836 [0,2,0,0,0,0|1,0,1]=4 2427 B12R1.232 c1c(c(cc(c1O)O)O)C(=O)O TS12755 [0,2,0,0,0,0|1,0,0]=3 2428 B12R1.232 c1c(c(cc(c1[N+](=O)[O-])Cl)N)N TS33147 [0,2,0,0,0,0|1,0,1]=4 2429 B12R1.232 c1c(c(cc(c1[N+](=O)[O-])F)N)N TS45276 [0,2,0,0,0,0|1,0,1]=4 2430 B12R1.232 c1c(c(nc(c1F)Cl)Cl)C(=O)O TS43716 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.232 c1c(c(nc(c1F)F)F)C(=O)O TS46218 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.367 CC(=NO)c1ccc(c(c1)Cl)Cl TS19675 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F TS25009 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl TS19511 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F TS48998 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)N TS48495 [0,2,0,0,0,0|1,0,0]=3 2438 B12R1.367 CCC(=O)c1ccc(c(c1)F)F TS45098 [0,2,0,0,0,0|2,0,0]=4 2439 B12R1.367 CCC(=O)c1ccc(c(c1)O)O TS12197 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.367 COC(=O)c1cc(c(=O)oc1)Br TS25325 [0,2,0,0,0,0|2,0,0]=4 2441 B12R1.367 COC(=O)c1cc(c(cn1)O)O TS91711 [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br TS56305 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl TS20085 [0,2,0,0,0,0|2,0,0]=4 2444 B12R1.367 COC(=O)c1cc(c(nc1)N)Br TS16591 [0,2,0,0,0,0|1,0,0]=3 2445 B12R1.367 COC(=O)c1cc(c(nc1)O)O TS92420 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.367 COC(=O)c1ccc(c(c1)Br)F TS65232 [0,2,0,0,0,0|1,0,0]=3 2447 B12R1.367 COC(=O)c1ccc(c(c1)Br)I TS22773 [0,2,0,0,0,0|1,0,0]=3 2448 B12R1.367 COC(=O)c1ccc(c(c1)Br)N TS02975 [0,2,0,0,0,0|0,0,0]=2 2449 B12R1.367 COC(=O)c1ccc(c(c1)Br)O TS53113 [0,2,0,0,0,0|1,0,0]=3 2450 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl TS19901 [0,2,0,0,0,0|1,0,0]=3 2451 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N TS15518 [0,2,0,0,0,0|0,0,0]=2 2452 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [0,2,0,0,0,0|1,0,0]=3 2453 B12R1.367 COC(=O)c1ccc(c(c1)F)Br TS56288 [0,2,0,0,0,0|1,0,0]=3 2454 B12R1.367 COC(=O)c1ccc(c(c1)F)F TS45413 [0,2,0,0,0,0|1,0,0]=3 2455 B12R1.367 COC(=O)c1ccc(c(c1)F)O TS45080 [0,2,0,0,0,0|1,0,0]=3 2456 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl TS58672 [0,2,0,0,0,0|1,0,0]=3 2457 B12R1.367 COC(=O)c1ccc(c(c1)I)N TS39545 [0,2,0,0,0,0|0,0,0]=2 2458 B12R1.367 COC(=O)c1ccc(c(c1)I)O TS02307 [0,2,0,0,0,0|1,0,0]=3 2459 B12R1.367 COC(=O)c1ccc(c(c1)N)Br TS65465 [0,2,0,0,0,0|1,0,0]=3 2460 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl TS08570 [0,2,0,0,0,0|1,0,0]=3 2461 B12R1.367 COC(=O)c1ccc(c(c1)N)N TS08563 [0,2,0,0,0,0|0,0,0]=2 2462 B12R1.367 COC(=O)c1ccc(c(c1)N)O TS65231 [0,2,0,0,0,0|1,0,0]=3 2463 B12R1.367 COC(=O)c1ccc(c(c1)O)F TS33164 [0,2,0,0,0,0|1,0,0]=3 2464 B12R1.367 COC(=O)c1ccc(c(c1)O)I TS02316 [0,2,0,0,0,0|1,0,0]=3 2465 B12R1.367 COC(=O)c1ccc(c(c1)O)N TS39548 [0,2,0,0,0,0|0,0,0]=2 2466 B12R1.367 COC(=O)c1ccc(c(c1)O)O TS08564 [0,2,0,0,0,0|1,0,0]=3 2467 B12R1.367 COC(=O)c1ccc(c(n1)N)Br TS25006 [0,2,0,0,0,0|2,0,0]=4 2468 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.367 COC(=O)c1cnc(c(n1)Br)N TS91626 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.367 COC(=O)c1cnc(c(n1)I)N TS91442 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [0,2,0,0,0,0|1,0,0]=3 2472 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [0,2,0,0,0,0|1,0,0]=3 2473 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [0,2,0,0,0,0|1,0,0]=3 2474 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [0,2,0,0,0,0|0,0,0]=2 2475 B12R1.367 Cc1cc(ncc1Br)C(=O)OC TS16789 [0,2,0,0,0,0|2,0,0]=4 2476 B12R1.367 Cc1cc(ncc1N)C(=O)OC TS85853 [0,2,0,0,0,0|1,0,0]=3 2477 B12R1.367 Cc1ccc(cc1Br)C(=O)OC TS56265 [0,2,0,0,0,0|1,0,0]=3 2478 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [0,2,0,0,0,0|1,0,0]=3 2479 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [0,2,0,0,0,0|1,0,0]=3 2480 B12R1.367 Cc1ccc(cc1F)C(=NO)N TS12510 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.367 Cc1ccc(cc1I)C(=O)OC TS31074 [0,2,0,0,0,0|1,0,0]=3 2482 B12R1.367 Cc1ccc(cc1N)C(=O)OC TS08571 [0,2,0,0,0,0|1,0,0]=3 2483 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [0,2,0,0,0,0|1,0,0]=3 2484 B12R1.367 Cn1cc(ccc1=O)C(=O)OC TS85514 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.367 Cn1ccc(cc1=O)C(=O)OC TS89885 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.367 c1cc(c(cc1C(=NO)N)Br)F TS53414 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.367 c1cc(c(cc1C(=O)C#N)Cl)F TS15180 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl TS30477 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.367 c1cc(c(cc1C(=O)CBr)F)F TS25675 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl TS50373 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O TS15720 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.367 c1cc(c(cc1C(=O)NN)Br)Cl TS27947 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Br TS27948 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Cl TS38742 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.367 c1cc(c(cc1C(=O)NN)F)F TS45423 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.367 c1cc(c(cc1C(=O)NN)N)N TS43079 [0,2,0,0,0,0|1,0,0]=3 2498 B12R1.367 c1cc(c(cc1C(=O)NN)O)O TS12503 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.893 CC(=O)c1ccc(c(c1F)F)F TS65297 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C TS65115 [0,2,0,0,0,0|0,0,0]=2 2503 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F TS17189 [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F TS09230 [0,2,0,0,0,0|1,0,0]=3 2505 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O TS60318 [0,2,0,0,0,0|1,0,0]=3 2506 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,2,0,0,0,0|1,0,0]=3 2508 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,2,0,0,0,0|1,0,0]=3 2509 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,2,0,0,0,0|1,0,0]=3 2510 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,2,0,0,0,0|1,0,0]=3 2511 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,2,0,0,0,0|2,0,0]=4 2512 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl TS17191 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N TS12968 [0,2,0,0,0,0|2,0,0]=4 2514 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O TS45420 [0,2,0,0,0,0|1,0,0]=3 2515 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,2,0,0,0,0|1,0,0]=3 2516 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O TS86152 [0,2,0,0,0,0|2,0,0]=4 2517 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F TS09345 [0,2,0,0,0,0|2,0,0]=4 2518 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F TS17958 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F TS45908 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F TS65373 [0,2,0,0,0,0|1,0,0]=3 2521 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,2,0,0,0,0|1,0,0]=3 2522 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,2,0,0,0,0|1,0,0]=3 2523 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,2,0,0,0,0|1,0,0]=3 2524 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br TS02331 [0,2,0,0,0,0|1,0,0]=3 2525 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,2,0,0,0,0|1,0,0]=3 2526 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F TS00534 [0,2,0,0,0,0|1,0,0]=3 2527 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I TS34692 [0,2,0,0,0,0|1,0,0]=3 2528 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N TS39461 [0,2,0,0,0,0|0,0,0]=2 2529 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O TS02333 [0,2,0,0,0,0|1,0,0]=3 2530 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F TS09229 [0,2,0,0,0,0|1,0,0]=3 2531 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O TS12754 [0,2,0,0,0,0|1,0,0]=3 2532 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F TS53951 [0,2,0,0,0,0|1,0,1]=4 2533 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br TS58433 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)N)Cl TS19678 [0,2,0,0,0,0|1,0,0]=3 2535 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl TS19909 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F TS02516 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.1005 CC(=O)c1cc(c(c(c1)F)N)F TS12963 [0,2,0,0,0,0|1,0,0]=3 2538 B12R1.1005 Cc1c(cc(cc1Br)C(=O)O)Br TS02350 [0,2,0,0,0,0|1,0,0]=3 2539 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)O)Cl TS19907 [0,2,0,0,0,0|1,0,0]=3 2540 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)N TS65473 [0,2,0,0,0,0|1,0,0]=3 2541 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O TS65515 [0,2,0,0,0,0|1,0,0]=3 2542 B12R1.1005 Cc1c(cc(cc1O)C(=O)O)O TS12482 [0,2,0,0,0,0|1,0,0]=3 2543 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)N TS24461 [0,2,0,0,0,0|2,0,0]=4 2544 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)O TS42758 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.1005 Cc1cc(cc(c1N)C)C(=O)N TS11906 [0,2,0,0,0,0|1,0,0]=3 2546 B12R1.1005 Cc1cc(cc(c1N)C)[N+](=O)[O-] TS43075 [0,2,0,0,0,0|1,0,1]=4 2547 B12R1.1005 Cc1cc(cc(c1N)Cl)C(=O)O TS15526 [0,2,0,0,0,0|0,0,0]=2 2548 B12R1.1005 Cc1cc(cc(c1N)Cl)[N+](=O)[O-] TS48989 [0,2,0,0,0,0|1,0,1]=4 2549 B12R1.1005 Cc1cc(cc(c1N)I)[N+](=O)[O-] TS33988 [0,2,0,0,0,0|1,0,1]=4 2550 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)C TS11873 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)O TS03111 [0,2,0,0,0,0|1,0,0]=3 2552 B12R1.1005 c1c(cc(c(c1Br)N)Br)C(=O)O TS02973 [0,2,0,0,0,0|0,0,0]=2 2553 B12R1.1005 c1c(cc(c(c1Br)N)Br)[N+](=O)[O-] TS35845 [0,2,0,0,0,0|1,0,1]=4 2554 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)O TS35843 [0,2,0,0,0,0|1,0,0]=3 2555 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O TS02354 [0,2,0,0,0,0|1,0,0]=3 2556 B12R1.1005 c1c(cc(c(c1Cl)N)Br)[N+](=O)[O-] TS63029 [0,2,0,0,0,0|1,0,1]=4 2557 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O TS65781 [0,2,0,0,0,0|0,0,0]=2 2558 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)[N+](=O)[O-] TS39122 [0,2,0,0,0,0|1,0,1]=4 2559 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O TS39118 [0,2,0,0,0,0|1,0,0]=3 2560 B12R1.1005 c1c(cc(c(c1F)F)Cl)C(=O)O TS65495 [0,2,0,0,0,0|1,0,0]=3 2561 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)Cl TS17957 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)N TS45901 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)O TS93154 [0,2,0,0,0,0|1,0,0]=3 2564 B12R1.1005 c1c(cc(c(c1F)N)F)[N+](=O)[O-] TS09247 [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.1005 c1c(cc(c(c1I)I)I)C(=O)O TS83220 [0,2,0,0,0,0|1,0,0]=3 2566 B12R1.1005 c1c(cc(c(c1I)N)I)C(=O)O TS39466 [0,2,0,0,0,0|0,0,0]=2 2567 B12R1.1005 c1c(cc(c(c1I)N)I)[N+](=O)[O-] TS67495 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.1005 c1c(cc(c(c1I)O)I)C(=O)O TS67494 [0,2,0,0,0,0|1,0,0]=3 2569 B12R1.1005 c1c(cc(c(c1N)Cl)Cl)C(=O)O TS38923 [0,2,0,0,0,0|1,0,0]=3 2570 B12R1.1005 c1c(cc(c(c1N)Cl)N)C(=O)O TS48990 [0,2,0,0,0,0|1,0,0]=3 2571 B12R1.1005 c1c(cc(c(c1O)Br)O)C(=O)N TS53253 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.1005 c1c(cc(c(c1O)Br)O)C(=O)O TS09566 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.1005 c1c(cc(c(c1O)N)O)C(=O)O TS12645 [0,2,0,0,0,0|0,0,0]=2 2574 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)N TS12646 [0,2,0,0,0,0|2,0,0]=4 2575 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O TS93344 [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O TS93935 [0,2,0,0,0,0|1,0,0]=3 2577 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)[O-] TS81197 [0,2,0,0,0,0|1,0,1]=4 2578 B12R1.12 c1cc(ccc1C(=NO)CBr)F TS53263 [0,2,0,0,0,0|2,0,0]=4 2579 B12R1.16 CCCC(=O)c1ccc(cc1)Cl TS48368 [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.16 CCCC(=O)c1ccc(cc1)F TS43085 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.16 CCCC(=O)c1ccc(cc1)N TS11723 [0,2,0,0,0,0|1,0,0]=3 2582 B12R1.16 CCCC(=O)c1ccc(cc1)O TS42742 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.16 CCOC(=N)c1ccc(cc1)C TS37814 [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.16 CCOC(=N)c1ccc(cc1)F TS38502 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.16 CCOC(=N)c1ccc(cc1)O TS38165 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.16 CCOC(=O)c1ccc(cc1)Br TS52789 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.16 CCOC(=O)c1ccc(cc1)C TS11853 [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.16 CCOC(=O)c1ccc(cc1)Cl TS15387 [0,2,0,0,0,0|1,0,0]=3 2589 B12R1.16 CCOC(=O)c1ccc(cc1)F TS12505 [0,2,0,0,0,0|1,0,0]=3 2590 B12R1.16 CCOC(=O)c1ccc(cc1)I TS16559 [0,2,0,0,0,0|1,0,0]=3 2591 B12R1.16 CCOC(=O)c1ccc(cc1)N TS19282 [0,2,0,0,0,0|0,0,0]=2 2592 B12R1.16 CCOC(=O)c1ccc(cc1)N TS55757 [0,2,0,0,0,0|0,0,0]=2 2593 B12R1.16 CCOC(=O)c1ccc(cc1)O TS00084 [0,2,0,0,0,0|1,0,0]=3 2594 B12R1.16 CCOC(=O)c1ccc(cc1)O TS15928 [0,2,0,0,0,0|1,0,0]=3 2595 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] TS64291 [0,2,0,0,0,0|1,0,0]=3 2596 B12R1.16 CCOC(=O)c1ccc(cn1)Br TS71441 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.16 CCOC(=O)c1ccc(cn1)Cl TS48792 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.16 CCOC(=O)c1ccc(cn1)N TS12218 [0,2,0,0,0,0|1,0,0]=3 2599 B12R1.16 CCOC(=O)c1ccc(nc1)C TS12006 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.16 CCOC(=O)c1ccc(nc1)C TS87974 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.16 CCOC(=O)c1ccc(nc1)Cl TS55576 [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.16 CCOC(=O)c1ccc(nc1)N TS12209 [0,2,0,0,0,0|1,0,0]=3 2603 B12R1.16 CCOC(=O)c1ccc(nc1)O TS01239 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.16 CCOC(=O)c1cnc(cn1)N TS55957 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.16 CCOC(=O)c1cnc(nc1)N TS85398 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.16 Cc1ccc(cc1)C(=O)CC#N TS11129 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.16 Cc1ccc(cc1)C(=O)N=C=S TS46297 [0,2,0,0,0,0|1,1,0]=4 2609 B12R1.16 c1cc(ccc1C(=CC=O)Cl)Cl TS19149 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.16 c1cc(ccc1C(=O)CC#N)Br TS50415 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl TS09681 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.16 c1cc(ccc1C(=O)CC#N)F TS03085 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.16 c1cc(ccc1C(=O)CC#N)I TS74082 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.16 c1cc(ccc1C(=O)CCCl)Br TS27651 [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl TS19513 [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.16 c1cc(ccc1C(=O)N=C=S)Cl TS18511 [0,2,0,0,0,0|1,1,0]=4 2617 B12R1.1703 CC(=NO)c1ccc(cc1Cl)Cl TS19674 [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.1703 CC(=NO)c1ccc(cc1O)O TS12367 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,2,0,0,0,0|1,0,0]=3 2624 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,2,0,0,0,0|1,0,0]=3 2628 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,2,0,0,0,0|1,0,0]=3 2629 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,2,0,0,0,0|1,0,0]=3 2630 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,2,0,0,0,0|1,0,0]=3 2631 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,2,0,0,0,0|1,0,0]=3 2632 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,2,0,0,0,0|0,0,0]=2 2633 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,2,0,0,0,0|1,0,0]=3 2634 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,2,0,0,0,0|1,0,0]=3 2635 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,2,0,0,0,0|1,0,0]=3 2636 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,2,0,0,0,0|0,0,0]=2 2637 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,2,0,0,0,0|1,0,0]=3 2638 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,2,0,0,0,0|1,0,0]=3 2643 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,2,0,0,0,0|0,0,0]=2 2644 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,2,0,0,0,0|1,0,0]=3 2646 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,2,0,0,0,0|1,0,0]=3 2648 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|1,0,0]=3 2649 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.1703 c1cc(c(cc1Br)Br)C(=O)CBr TS79366 [0,2,0,0,0,0|2,0,0]=4 2651 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,2,0,0,0,0|2,0,0]=4 2652 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=NO)Cl TS23901 [0,2,0,0,0,0|2,0,0]=4 2653 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,2,0,0,0,0|1,0,0]=3 2658 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.1703 c1cc(c(cc1Cl)O)C(=O)NO TS50612 [0,2,0,0,0,0|1,0,0]=3 2660 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,2,0,0,0,0|1,0,1]=4 2661 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr TS25674 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl TS65390 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.1703 c1cc(c(cc1F)F)C(=O)CO TS45419 [0,2,0,0,0,0|1,0,0]=3 2666 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN TS45422 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.57 COc1cc(ccc1C(=O)O)Br TS59606 [0,2,0,0,0,0|1,0,0]=3 2671 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,2,0,0,0,0|1,0,0]=3 2672 B12R1.57 COc1cc(ccc1C(=O)O)F TS59614 [0,2,0,0,0,0|1,0,0]=3 2673 B12R1.57 COc1cc(ccc1C(=O)O)N TS01091 [0,2,0,0,0,0|0,0,0]=2 2674 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,2,0,0,0,0|1,0,0]=3 2675 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F TS47328 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.1000 Cc1cc(=O)oc(c1C(=O)O)C TS44812 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C TS07909 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)N)C TS42595 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C TS07908 [0,2,0,0,0,0|1,0,0]=3 2683 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)O TS44819 [0,2,0,0,0,0|1,0,0]=3 2685 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)O)O TS12652 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.1000 Cc1cc(cc(c1C(=O)Cl)C)F TS48994 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.1000 Cc1cc(cc(c1C(=O)N)Cl)Cl TS19673 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F TS09254 [0,2,0,0,0,0|1,0,0]=3 2689 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)O TS09130 [0,2,0,0,0,0|1,0,0]=3 2690 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O TS12486 [0,2,0,0,0,0|1,0,0]=3 2691 B12R1.1000 Cc1cc(cc(c1[N+](=O)[O-])C)N TS12238 [0,2,0,0,0,0|1,0,1]=4 2692 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)C TS15510 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl TS86933 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C TS43073 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br TS66331 [0,2,0,0,0,0|1,0,0]=3 2696 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl TS00593 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl TS00592 [0,2,0,0,0,0|1,0,0]=3 2698 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F TS17963 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)F TS45903 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br TS01845 [0,2,0,0,0,0|1,0,0]=3 2701 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F TS00596 [0,2,0,0,0,0|1,0,0]=3 2702 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O TS65360 [0,2,0,0,0,0|1,0,0]=3 2703 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl TS38922 [0,2,0,0,0,0|1,0,0]=3 2704 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F TS32777 [0,2,0,0,0,0|1,0,0]=3 2705 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,1]=4 2706 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,1]=4 2707 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,1]=4 2708 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,0]=3 2709 B12R2.606 Cc1[nH]c2cc(ccc2n1)N TS55443 [0,0,0,1,0,1|2,0,0]=4 2710 B12R2.606 Cc1cc2cc(ccc2[nH]1)N TS40440 [0,0,0,1,0,1|2,0,0]=4 2711 B12R2.606 Cc1cc2cc(ccc2o1)N TS07331 [0,0,0,1,0,1|2,0,0]=4 2712 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [0,0,0,1,0,1|2,0,0]=4 2713 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,0,0,1,0,1|2,0,0]=4 2714 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 TS42926 [0,0,0,1,0,1|1,1,0]=4 2715 B12R2.606 Cc1nc2cc(ccc2o1)N TS40623 [0,0,0,1,0,1|2,0,0]=4 2716 B12R2.606 Cc1nc2cc(ccc2s1)N TS11917 [0,0,0,1,0,1|2,0,0]=4 2717 B12R2.606 Cc1nc2cc(ccc2s1)N TS26018 [0,0,0,1,0,1|2,0,0]=4 2718 B12R2.606 Cc1nc2ccc(cc2o1)Cl TS43270 [0,0,0,1,0,1|2,0,0]=4 2719 B12R2.606 Cc1nc2ccc(cc2o1)N TS55441 [0,0,0,1,0,1|1,0,0]=3 2720 B12R2.606 Cc1nc2ccc(cc2s1)N TS46421 [0,0,0,1,0,1|1,1,0]=4 2721 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Br TS22928 [0,0,0,1,0,1|2,0,0]=4 2722 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Cl TS45224 [0,0,0,1,0,1|2,0,0]=4 2723 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,0,0,1,0,1|2,0,0]=4 2724 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,0,0,1,0,1|2,0,0]=4 2725 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [0,0,0,1,0,1|2,0,0]=4 2726 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,0,0,1,0,1|2,0,0]=4 2727 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [0,0,0,1,0,1|2,0,0]=4 2728 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,0,0,1,0,1|1,0,0]=3 2729 B12R2.606 c1cc2c(cc1Br)oc(=S)[nH]2 TS33008 [0,0,0,1,0,1|1,1,0]=4 2730 B12R2.606 c1cc2c(cc1Br)oc(n2)N TS00795 [0,0,0,1,0,1|2,0,0]=4 2731 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,0,0,1,0,1|1,1,0]=4 2732 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,0,0,1,0,1|2,0,0]=4 2733 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [0,0,0,1,0,1|2,0,0]=4 2734 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [0,0,0,1,0,1|2,0,0]=4 2735 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [0,0,0,1,0,1|2,0,0]=4 2736 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [0,0,0,1,0,1|1,0,0]=3 2737 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl TS47299 [0,0,0,1,0,1|2,0,0]=4 2738 B12R2.606 c1cc2c(cc1Cl)oc(n2)N TS44940 [0,0,0,1,0,1|2,0,0]=4 2739 B12R2.606 c1cc2c(cc1Cl)oc(n2)S TS48798 [0,0,0,1,0,1|1,1,0]=4 2740 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [0,0,0,1,0,1|1,1,0]=4 2741 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,0,0,1,0,1|2,0,0]=4 2742 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,0,0,1,0,1|2,0,0]=4 2743 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [0,0,0,1,0,1|2,0,0]=4 2744 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [0,0,0,1,0,1|2,0,0]=4 2745 B12R2.606 c1cc2c(cc1F)sc(=O)[nH]2 TS01225 [0,0,0,1,0,1|1,1,0]=4 2746 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [0,0,0,1,0,1|2,0,0]=4 2747 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,0,0,1,0,1|1,0,0]=3 2748 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [0,0,0,1,0,1|1,0,0]=3 2749 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [0,0,0,1,0,1|1,0,0]=3 2750 B12R2.606 c1cc2c(cc1N)[nH]c(n2)S TS12052 [0,0,0,1,0,1|1,1,0]=4 2751 B12R2.606 c1cc2c(cc1N)nc(s2)N TS42932 [0,0,0,1,0,1|2,0,0]=4 2752 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 TS00366 [0,0,0,1,0,1|0,0,0]=2 2753 B12R2.606 c1cc2c(cc1N)oc(n2)S TS43096 [0,0,0,1,0,1|0,1,0]=3 2754 B12R2.606 c1cc2c(cc1N)sc(n2)S TS15027 [0,0,0,1,0,1|0,2,0]=4 2755 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,0,0,1,0,1|2,0,0]=4 2756 B12R2.606 c1cc2c(cc1O)CC(=O)O2 TS07646 [0,0,0,1,0,1|2,0,0]=4 2757 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [0,0,0,1,0,1|2,0,0]=4 2758 B12R2.606 c1cc2c(cc1O)oc(=O)[nH]2 TS10001 [0,0,0,1,0,1|1,0,0]=3 2759 B12R2.606 c1cc2c(cc1O)oc(=O)s2 TS12513 [0,0,0,1,0,1|1,0,0]=3 2760 B12R2.606 c1cc2c(cc1O)sc(=O)o2 TS12515 [0,0,0,1,0,1|1,1,0]=4 2761 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [0,1,0,1,0,0|1,0,0]=3 2762 B12R2.612 Cc1c2ccc(cc2[nH]n1)N TS88598 [0,1,0,1,0,0|2,0,0]=4 2763 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,1,0,1,0,0|2,0,0]=4 2764 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,1,0,1,0,0|2,0,0]=4 2765 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,1,0,1,0,0|2,0,0]=4 2766 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|2,0,0]=4 2767 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,1,0,1,0,0|1,0,0]=3 2768 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,1,0,1,0,0|2,0,0]=4 2769 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,1,0,0|2,0,0]=4 2770 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,1,0,1,0,0|2,0,0]=4 2771 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|2,0,0]=4 2772 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,1,0,1,0,0|2,0,0]=4 2773 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,1,0,1,0,0|1,0,0]=3 2774 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,0]=3 2775 B12R2.612 c1cc2c(cc1Br)[nH]nc2O TS09157 [0,1,0,1,0,0|2,0,0]=4 2776 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|2,0,0]=4 2777 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,1,0,1,0,0|2,0,0]=4 2778 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,1,0,1,0,0|1,0,0]=3 2779 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,1,0,1,0,0|1,0,0]=3 2780 B12R2.612 c1cc2c(cc1Cl)[nH]nc2O TS44938 [0,1,0,1,0,0|2,0,0]=4 2781 B12R2.612 c1cc2c(cc1Cl)onc2O TS85119 [0,1,0,1,0,0|1,0,1]=4 2782 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|2,0,0]=4 2783 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,1,0,1,0,0|1,0,0]=3 2784 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,1,0,1,0,0|1,0,0]=3 2785 B12R2.612 c1cc2c(cc1F)[nH]nc2O TS41097 [0,1,0,1,0,0|2,0,0]=4 2786 B12R2.612 c1cc2c(cc1F)non2=O TS10379 [0,1,0,1,0,0|2,0,0]=4 2787 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|2,0,0]=4 2788 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,1,0,1,0,0|1,0,0]=3 2789 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|1,0,0]=3 2790 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,1,0,1,0,0|1,0,0]=3 2791 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,1,0,1,0,0|0,0,0]=2 2792 B12R2.612 c1cc2c(cc1N)[nH]nc2Br TS21240 [0,1,0,1,0,0|2,0,0]=4 2793 B12R2.612 c1cc2c(cc1N)[nH]nc2Cl TS12440 [0,1,0,1,0,0|2,0,0]=4 2794 B12R2.612 c1cc2c(cc1N)[nH]nc2I TS90734 [0,1,0,1,0,0|2,0,0]=4 2795 B12R2.612 c1cc2c(cc1N)[nH]nc2O TS07551 [0,1,0,1,0,0|1,0,0]=3 2796 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|2,0,0]=4 2797 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,1,0,1,0,0|1,0,0]=3 2798 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,1,0,1,0,0|1,0,0]=3 2799 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,0,0,0,1,0|2,0,0]=4 2800 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,0,0,0,1,0|2,0,0]=4 2801 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,0,0,0,1,0|2,0,0]=4 2802 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [1,0,0,0,1,0|2,0,0]=4 2803 B8R1.1 c1c(coc1C=O)Br TS39327 [1,0,0,0,1,0|2,0,0]=4 2804 B8R1.1 c1c(csc1Br)C=O TS90833 [1,0,0,0,1,0|2,0,0]=4 2805 B8R1.1 c1c(csc1C=O)Br TS70971 [1,0,0,0,1,0|2,0,0]=4 2806 B8R1.1 c1c(csc1C=O)Cl TS88146 [1,0,0,0,1,0|2,0,0]=4 2807 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,0,0,0,1,0|2,0,0]=4 2808 B8R1.1 c1c(sc(n1)N)C=O TS00789 [1,0,0,0,1,0|2,0,0]=4 2809 B8R1.1 c1cc(oc1C=O)Br TS71428 [1,0,0,0,1,0|2,0,0]=4 2810 B8R1.1 c1cc(oc1C=O)I TS50041 [1,0,0,0,1,0|2,0,0]=4 2811 B8R1.1 c1cc(sc1C=O)Br TS71469 [1,0,0,0,1,0|2,0,0]=4 2812 B8R1.1 c1cc(sc1C=O)Cl TS60086 [1,0,0,0,1,0|2,0,0]=4 2813 B8R1.1 c1cc(sc1C=O)Cl TS77528 [1,0,0,0,1,0|2,0,0]=4 2814 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,1,0|1,0,1]=4 2815 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,1,0|2,0,0]=4 2816 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,1,0|2,0,0]=4 2817 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,1,0|2,0,0]=4 2818 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,1,0|2,0,0]=4 2819 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,1,0|2,0,0]=4 2820 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [1,0,0,0,1,0|2,0,0]=4 2821 B8R1.7 c1c(con1)C(=O)O TS56204 [1,0,0,0,1,0|2,0,0]=4 2822 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,1,0|2,0,0]=4 2823 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,1,0|2,0,0]=4 2824 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,1,0|2,0,0]=4 2825 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,1,0|2,0,0]=4 2826 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,1,0|2,0,0]=4 2827 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,1,0|1,0,0]=3 2828 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,1,0|2,0,0]=4 2829 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,1,0|2,0,0]=4 2830 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,1,0|1,0,0]=3 2831 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,1,0|2,0,0]=4 2832 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,1,0|2,0,0]=4 2833 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,1,0|1,0,0]=3 2834 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,1,0|1,0,1]=4 2835 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,1,0|1,0,1]=4 2836 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,1,0|0,0,1]=3 2837 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,1,0|2,0,0]=4 2838 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,1,0|2,0,0]=4 2839 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,1,0|2,0,0]=4 2840 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,1,0|2,0,0]=4 2841 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,1,0|1,0,0]=3 2842 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,1,0|1,0,0]=3 2843 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,1,0|2,0,0]=4 2844 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,1,0|2,0,0]=4 2845 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,1,0|2,0,0]=4 2846 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,1,0|2,0,0]=4 2847 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,1,0|1,0,0]=3 2848 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,1,0|2,0,0]=4 2849 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,0,0,0,0,1|1,0,1]=4 2850 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,0,0,0,0,1|2,0,0]=4 2851 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,0,0,0,0,1|2,0,0]=4 2852 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [1,0,0,0,0,1|2,0,0]=4 2853 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [1,0,0,0,0,1|2,0,0]=4 2854 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,0,0,0,0,1|1,0,0]=3 2855 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,0,0,0,0,1|2,0,0]=4 2856 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,0,0,0,0,1|2,0,0]=4 2857 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,0,0,0,0,1|2,0,0]=4 2858 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,0,0,0,0,1|2,0,0]=4 2859 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,0,0,0,0,1|1,0,0]=3 2860 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [1,0,0,0,0,1|2,0,0]=4 2861 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [1,0,0,0,0,1|2,0,0]=4 2862 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [1,0,0,0,0,1|2,0,0]=4 2863 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [1,0,0,0,0,1|2,0,0]=4 2864 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,0,0,0,0,1|1,0,0]=3 2865 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,0,0,0,0,1|1,1,0]=4 2866 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,0,0,0,0,1|1,0,1]=4 2867 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,0,0,0,0,1|2,0,0]=4 2868 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [1,0,0,0,0,1|2,0,0]=4 2869 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [1,0,0,0,0,1|1,0,0]=3 2870 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [1,0,0,0,0,1|1,0,0]=3 2871 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [1,0,0,0,0,1|2,0,0]=4 2872 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,0,0,0,0,1|2,0,0]=4 2873 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [1,0,0,0,0,1|1,0,0]=3 2874 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,0,0,0,0,1|1,0,0]=3 2875 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,0,0,0,0,1|1,0,0]=3 2876 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,0,0,0,0,1|0,0,0]=2 2877 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,0,0,0,0,1|0,0,0]=2 2878 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,0,0,0,0,1|0,0,1]=3 2879 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,0,0,0,0,1|0,0,1]=3 2880 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,0,0,0,0,1|1,1,0]=4 2881 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,0,0,0,0,1|2,0,0]=4 2882 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,0,0,0,0,1|2,0,0]=4 2883 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [1,0,0,0,0,1|1,0,0]=3 2884 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,0,0,0,0,1|1,0,0]=3 2885 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,0,0,0,0,1|1,1,0]=4 2886 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [1,0,0,0,0,1|1,0,0]=3 2887 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,0,0,0,0,1|1,0,0]=3 2888 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [1,0,0,0,0,1|1,1,0]=4 2889 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [1,0,0,0,0,1|1,1,0]=4 2890 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [1,0,0,0,0,1|1,1,0]=4 2891 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,0,0,0,0,1|2,0,0]=4 2892 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [1,0,0,0,0,1|1,0,0]=3 2893 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [1,0,0,0,0,1|2,0,0]=4 2894 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [1,0,0,0,0,1|2,0,0]=4 2895 B10R1.18 c1cnc(nc1)CC(=O)O TS02476 [1,0,0,0,0,1|2,0,0]=4 2896 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,0,0,0,0,1|2,0,0]=4 2897 B10R1.18 c1cnccc1CC(=S)O TS20061 [1,0,0,0,0,1|1,1,0]=4 2898 B10R1.18 c1cncnc1CC(=O)O TS88488 [1,0,0,0,0,1|2,0,0]=4 2899 B10R1.18 c1cnncc1CC(=O)O TS90855 [1,0,0,0,0,1|2,0,0]=4 2900 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [0,0,0,0,0,2|2,0,0]=4 2901 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [0,0,0,0,0,2|2,0,0]=4 2902 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [0,0,0,0,0,2|2,0,0]=4 2903 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,0,0,0,0,2|2,0,0]=4 2904 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,0,0,0,0,2|2,0,0]=4 2905 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,0,0,0,0,2|2,0,0]=4 2906 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,0,0,0,0,2|2,0,0]=4 2907 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,0,0,0,0,2|1,0,0]=3 2908 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,0,0,0,0,2|2,0,0]=4 2909 B12R1.21 CC(=O)O[Hg]c1ccc(cc1)N TS64802 [0,0,0,0,0,2|1,0,0]=3 2910 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [0,0,0,0,0,2|1,0,0]=3 2911 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,0,0,0,0,2|1,0,0]=3 2912 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,0,0,0,0,2|2,0,0]=4 2913 B12R1.21 Cc1ccc(cc1)OCC(=O)O TS12179 [0,0,0,0,0,2|1,0,0]=3 2914 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [0,0,0,0,0,2|2,0,0]=4 2915 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [0,0,0,0,0,2|2,0,0]=4 2916 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [0,0,0,0,0,2|1,0,0]=3 2917 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [0,0,0,0,0,2|1,0,0]=3 2918 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [0,0,0,0,0,2|1,0,0]=3 2919 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [0,0,0,0,0,2|0,0,0]=2 2920 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [0,0,0,0,0,2|0,0,0]=2 2921 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [0,0,0,0,0,2|1,0,0]=3 2922 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,0,0,0,0,2|2,0,0]=4 2923 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,0,0,0,0,2|1,0,0]=3 2924 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,0,0,0,0,2|1,0,0]=3 2925 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,0,0,0,0,2|1,0,0]=3 2926 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,0,0,0,0,2|0,0,0]=2 2927 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,0,0,0,0,2|1,0,0]=3 2928 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,0,0,0,0,2|1,0,0]=3 2929 B12R1.21 c1cc(ccc1CNC(=O)N)F TS12511 [0,0,0,0,0,2|2,0,0]=4 2930 B12R1.21 c1cc(ccc1CNC(=O)N)N TS12035 [0,0,0,0,0,2|1,0,0]=3 2931 B12R1.21 c1cc(ccc1F)SCC(=O)O TS15593 [0,0,0,0,0,2|1,0,0]=3 2932 B12R1.21 c1cc(ccc1N)NCC(=O)O TS43068 [0,0,0,0,0,2|0,0,0]=2 2933 B12R1.21 c1cc(ccc1N)SCC(=O)O TS15156 [0,0,0,0,0,2|0,0,0]=2 2934 B12R1.21 c1cc(ccc1NCC(=O)O)O TS00318 [0,0,0,0,0,2|1,0,0]=3 2935 B12R1.21 c1cc(ccc1NCC(=O)O)O TS43213 [0,0,0,0,0,2|1,0,0]=3 2936 B12R1.21 c1cc(ccc1O)OCC(=O)O TS44827 [0,0,0,0,0,2|1,0,0]=3 2937 B12R1.21 c1cc(ccc1OCC(=O)Cl)F TS16078 [0,0,0,0,0,2|2,0,0]=4 2938 B12R1.21 c1cc(ccc1OCC(=O)O)Br TS53125 [0,0,0,0,0,2|1,0,0]=3 2939 B12R1.21 c1cc(ccc1OCC(=O)O)Cl TS15705 [0,0,0,0,0,2|1,0,0]=3 2940 B12R1.21 c1cc(ccc1OCC(=O)O)F TS45082 [0,0,0,0,0,2|1,0,0]=3 2941 B12R1.21 c1cc(ccc1OCC(=O)O)I TS33985 [0,0,0,0,0,2|1,0,0]=3 2942 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl TS43547 [0,0,0,0,0,2|1,0,1]=4 2943 B12R1.21 c1cc(ccc1SCC(=O)N)Cl TS38177 [0,0,0,0,0,2|2,0,0]=4 2944 B12R1.21 c1cc(ccc1SCC(=O)O)Cl TS19487 [0,0,0,0,0,2|1,0,0]=3