0 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.18 CC(C)Cc1ccncc1 TS06006 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,0,0,0,0,0|2,1,0]=3 35 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.18 c1cc(cnc1)NC(=S)N TS59320 [0,0,0,0,0,0|3,1,0]=4 39 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,0,0,0,0|0,0,0]=0 45 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,0,0,0,0|0,0,0]=0 46 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,0,0,0,0|0,0,1]=1 47 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,0,0,0,0|0,0,1]=1 48 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,0,0,0,0,0|1,1,0]=2 49 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [0,0,0,0,0,0|2,1,0]=3 54 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [0,0,0,0,0,0|2,1,0]=3 57 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [0,0,0,0,0,0|2,1,0]=3 58 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.18 c1ccc(cc1)OP(Cl)Cl TS17988 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [0,0,0,0,0,0|2,1,0]=3 61 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [0,0,0,0,0,0|2,1,1]=4 62 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,0,0,0,0|1,0,0]=1 64 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.18 c1cnc(nc1)CC(=O)O TS02476 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.18 c1cnccc1CC(=S)Cl TS45391 [0,0,0,0,0,0|2,1,0]=3 69 B10R1.18 c1cnccc1CC(=S)O TS20061 [0,0,0,0,0,0|1,1,0]=2 70 B10R1.18 c1cnccc1NC(=S)N TS41286 [0,0,0,0,0,0|3,1,0]=4 71 B10R1.18 c1cncnc1CC(=O)O TS88488 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.18 c1cnncc1CC(=O)O TS90855 [0,0,0,0,0,0|2,0,0]=2 73 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 c1cc(cnc1)N=C=O TS32413 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 105 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|1,0,1]=3 115 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|0,0,1]=2 117 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|0,1,1]=3 118 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,1]=3 119 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|1,0,0]=2 122 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|1,1,1]=4 127 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,1]=4 134 B9R1.8 c1ccnc(c1)C=NO TS53320 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.8 c1ccnc(c1)C=NO TS94195 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.8 c1ccnc(c1)CNN TS87756 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.8 c1ccnc(c1)NC=O TS32499 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.8 c1cnccc1C=NO TS59376 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|1,1,1]=4 147 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|1,1,1]=4 148 B9R1.8 c1cnccc1CNN TS85585 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,1,0,0,0,0|0,0,0]=1 179 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,1,0,0,0,0|1,1,0]=3 180 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,1,0,0,0,0|0,1,0]=2 181 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,1,0,0,0,0|2,1,0]=4 185 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,1,0,0,0,0|2,1,0]=4 188 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.20 c1c(cnc(n1)CC(=O)O)Br TS87052 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,1,0,0,0,0|0,0,0]=1 197 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,1,0,0,0,0|0,0,0]=1 198 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,1,0,0,0,0|0,0,0]=1 199 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,1,0,0,0,0|0,0,0]=1 201 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,1,0,0,0,0|0,0,0]=1 202 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,1,0,0,0,0|1,1,0]=3 204 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,1,0,0,0,0|2,1,0]=4 213 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,1,0,0,0,0|2,1,0]=4 215 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,1,0,0,0,0|2,1,0]=4 216 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,1,0,0,0,0|2,1,0]=4 220 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,1,0,0,0,0|2,1,0]=4 221 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.36 B(C(=C)c1ccccc1)(O)O TS07402 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.36 C1C=CCC(=C1)[C@H](C(=O)O)N TS41281 [0,1,0,0,0,0|0,0,2]=3 227 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,1,0,0,0,0|0,0,1]=2 228 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.36 CN(c1ccccc1)C(=S)Cl TS15542 [0,1,0,0,0,0|2,1,0]=4 241 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,1,0,0,0,0|2,1,0]=4 242 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,1,0,0,0,0|0,0,0]=1 248 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.36 c1cc(cnc1)C(C(=O)O)N TS10156 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.36 c1ccc(cc1)C(=C(F)Cl)F TS45863 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.36 c1ccc(cc1)C(=C(F)F)F TS41858 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,1,0,0,0,0|0,0,1]=2 253 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,1,0,0,0,0|0,0,0]=1 257 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,1,0,0,0,0|0,0,0]=1 258 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,1,0,0,0,0|0,0,0]=1 259 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,1,0,0,0,0|0,0,0]=1 260 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,1,0,0,0,0|0,0,0]=1 261 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,1,0,0,0,0|0,0,0]=1 262 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,1,0,0,0,0|0,0,0]=1 263 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,1,0,0,0,0|0,0,0]=1 264 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,1,0,0,0,0|0,0,0]=1 265 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,1,0,0,0,0|0,0,0]=1 269 B11R1.36 c1ccnc(c1)C(C(=O)O)N TS41120 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.36 c1cnccc1C(C(=O)O)N TS41126 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,1,0,0,0,0|1,0,1]=3 273 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,1,0,0,0,0|1,0,1]=3 274 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,1,0,0,0,0|1,0,1]=3 277 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,1,0,0,0,0|2,1,0]=4 286 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,1,0,0,0,0|0,0,0]=1 287 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.40 c1cc[n+](cc1)CC(=O)NN TS50625 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [0,1,0,0,0,0|1,0,1]=3 300 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,1,0,0,0,0|0,0,0]=1 304 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,1,0,0,0,0|1,0,1]=3 307 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,1,0,0,0,0|1,1,0]=3 309 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.40 c1ccc(cc1)NC(=S)C#N TS42481 [0,1,0,0,0,0|2,1,0]=4 312 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,1,0,0,0,0|2,1,0]=4 313 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.40 c1ccnc(c1)NC(=O)CCl TS45233 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,1,0,0,0,0|0,0,0]=1 335 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [0,1,0,0,0,0|2,1,0]=4 340 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.86 c1cc(c(nc1)CC(=O)O)Br TS87435 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.86 c1cc(c(nc1)CC(=O)O)Cl TS13072 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [0,1,0,0,0,0|1,0,0]=2 344 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,1,0,0,0,0|1,0,0]=2 345 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,1,0,0,0,0|0,0,0]=1 347 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,1,0,0,0,0|0,0,0]=1 348 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,1,0,0,0,0|0,0,0]=1 349 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,1,0,0,0,0|0,0,0]=1 350 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,1,0,0,0,0|0,0,0]=1 351 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,1,0,0,0,0|0,0,0]=1 352 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,1,0,0,0,0|0,0,0]=1 353 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,1,0,0,0,0|0,0,0]=1 354 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,1,0,0,0,0|1,1,0]=3 355 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.86 c1ccc(c(c1)NC(=S)N)Br TS53128 [0,1,0,0,0,0|2,1,0]=4 360 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl TS15736 [0,1,0,0,0,0|2,1,0]=4 361 B11R1.86 c1ccc(c(c1)NC(=S)N)F TS12815 [0,1,0,0,0,0|2,1,0]=4 362 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl TS92109 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.157 C=C(Cc1cccc(c1)F)Br TS21819 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.157 CC(=O)Nc1cc(ccn1)Cl TS45240 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.157 CC(=O)Nc1ccnc(c1)Cl TS45239 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,0,0,0,0|1,0,0]=2 380 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,1,0,0,0,0|1,0,0]=2 381 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,1,0,0,0,0|0,0,0]=1 382 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [0,1,0,0,0,0|2,1,0]=4 385 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.157 Cc1cccc(n1)CC(=O)O TS10024 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.157 Cc1cccc(n1)NC(=O)C TS09892 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,1,0,0,0,0|0,0,0]=1 392 B11R1.157 c1cc(cc(c1)Br)NC(=S)N TS25027 [0,1,0,0,0,0|2,1,0]=4 393 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,1,0,0,0,0|0,0,0]=1 395 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N TS15737 [0,1,0,0,0,0|2,1,0]=4 397 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,1,0,0,0,0|0,0,0]=1 399 B11R1.157 c1cc(cc(c1)F)NC(=S)N TS12813 [0,1,0,0,0,0|2,1,0]=4 400 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,1,0,0,0,0|0,0,0]=1 401 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,1,0,0,0,0|0,0,0]=1 402 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,1,0,0,0,0|0,0,0]=1 405 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [0,1,0,0,0,0|2,1,0]=4 406 B11R1.157 c1cnc(cc1CC(=O)O)Br TS44775 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.157 c1cnc(cc1CC(=O)O)N TS10152 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.509 CC(C)(C)Cc1ccccc1 TS40684 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [0,1,0,0,0,0|1,0,1]=3 410 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [0,1,0,0,0,0|1,0,1]=3 411 B11R1.509 CS(=O)(=O)Nc1ccccc1 TS13021 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.509 CS(=O)(=O)Oc1ccccc1 TS45452 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS15548 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS24835 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS35770 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS50591 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55765 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55766 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS81650 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.509 C[Si](C)(C)Cc1ccccc1 TS42820 [0,1,0,0,0,0|2,1,0]=4 421 B11R1.509 C[Si](C)(Cc1ccccc1)Cl TS15404 [0,1,0,0,0,0|2,1,0]=4 422 B11R1.509 [B-](Cc1ccccc1)(F)(F)F TS94615 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.509 c1cc(cnc1)CS(=O)(=O)Cl TS51372 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.509 c1ccc(cc1)CP(=O)(O)O TS45408 [0,1,0,0,0,0|1,0,0]=2 425 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl TS01351 [0,1,0,0,0,0|1,0,1]=3 426 B11R1.509 c1ccc(cc1)CS(=O)(=O)F TS13476 [0,1,0,0,0,0|1,0,1]=3 427 B11R1.509 c1ccc(cc1)CS(=O)(=O)N TS59634 [0,1,0,0,0,0|1,0,1]=3 428 B11R1.509 c1ccc(cc1)C[Ge](Cl)(Cl)Cl TS30752 [0,1,0,0,0,0|2,1,0]=4 429 B11R1.509 c1ccc(cc1)C[Si](Cl)(Cl)Cl TS52219 [0,1,0,0,0,0|2,1,0]=4 430 B11R1.509 c1ccc(cc1)C[Si](Cl)(Cl)Cl TS52220 [0,1,0,0,0,0|2,1,0]=4 431 B11R1.509 c1ccc(cc1)OP(=O)(Cl)Cl TS22725 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.509 c1ccc(cc1)OP(=O)(N)N TS45411 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.509 c1ccc(cc1)OP(=O)(O)O TS13427 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.509 c1ccc(cc1)OP(=O)([O-])[O-] TS49353 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.509 c1ccnc(c1)CS(=O)(=O)Cl TS51371 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.509 c1cnccc1CS(=O)(=O)Cl TS51368 [0,1,0,0,0,0|2,0,1]=4 437 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,0,1,0,0|2,0,1]=4 438 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,1,0,0|1,0,1]=3 439 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,1,0,0|1,0,1]=3 440 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,0,0,1,0,0|2,0,1]=4 441 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,0,0,1,0,0|2,0,1]=4 442 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,0,0,1,0,0|2,0,1]=4 443 B11R2.10 B1(Oc2ccccc2O1)Br TS18749 [0,0,0,1,0,0|3,0,0]=4 444 B11R2.10 B1(Oc2ccccc2O1)Cl TS10519 [0,0,0,1,0,0|3,0,0]=4 445 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,1,0,0|2,0,0]=3 446 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,0,0,1,0,0|2,0,1]=4 447 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,0,0,1,0,0|1,0,1]=3 448 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,0,0,1,0,0|3,0,0]=4 449 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,0,0,1,0,0|2,0,1]=4 450 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,0,0,1,0,0|1,0,1]=3 451 B11R2.10 Cc1cc2ccccc2s1 TS07494 [0,0,0,1,0,0|1,1,1]=4 452 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [0,0,0,1,0,0|2,1,0]=4 453 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,0,0,1,0,0|2,0,0]=3 454 B11R2.10 Cc1nc2ccccc2s1 TS01132 [0,0,0,1,0,0|2,1,0]=4 455 B11R2.10 c1c2c(ncn1)NC(=O)C2 TS86291 [0,0,0,1,0,0|3,0,0]=4 456 B11R2.10 c1cc2c([nH]c(=O)[nH]2)nc1 TS46947 [0,0,0,1,0,0|3,0,0]=4 457 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [0,0,0,1,0,0|2,0,0]=3 458 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,0,0,1,0,0|2,0,0]=3 459 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,0,0,1,0,0|2,0,0]=3 460 B11R2.10 c1cc2c(nc1)nc(o2)S TS10170 [0,0,0,1,0,0|2,1,0]=4 461 B11R2.10 c1cc[n+]2c(c1)oc(=O)s2 TS16246 [0,0,0,1,0,0|2,0,0]=3 462 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,0,0,1,0,0|2,0,0]=3 463 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,1,0,0|1,0,0]=2 464 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,1,0,0|0,0,0]=1 465 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,0,0,1,0,0|1,1,0]=3 466 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,0,0,1,0,0|2,0,1]=4 467 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,0,0,1,0,0|1,0,1]=3 468 B11R2.10 c1ccc2c(c1)OP(O2)Cl TS45854 [0,0,0,1,0,0|3,0,0]=4 469 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,0,0,1,0,0|1,0,0]=2 470 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,0,0,1,0,0|3,0,0]=4 471 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,0,0,1,0,0|3,0,0]=4 472 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,0,0,1,0,0|3,0,0]=4 473 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,0,0,1,0,0|3,0,0]=4 474 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,0,0,1,0,0|2,0,0]=3 475 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,0,0,1,0,0|2,1,0]=4 476 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,0,0,1,0,0|2,0,1]=4 477 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,0,0,1,0,0|2,0,1]=4 478 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,0,0,1,0,0|2,0,1]=4 479 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [0,0,0,1,0,0|1,0,1]=3 480 B11R2.10 c1ccc2c(c1)nc([se]2)S TS44462 [0,0,0,1,0,0|1,2,0]=4 481 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [0,0,0,1,0,0|2,0,0]=3 482 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,0,0,1,0,0|2,0,0]=3 483 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [0,0,0,1,0,0|1,1,0]=3 484 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [0,0,0,1,0,0|2,1,0]=4 485 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [0,0,0,1,0,0|2,1,0]=4 486 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [0,0,0,1,0,0|2,1,0]=4 487 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,0,0,1,0,0|2,1,0]=4 488 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [0,0,0,1,0,0|1,2,0]=4 489 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [0,0,0,1,0,0|1,2,0]=4 490 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [0,0,0,1,0,0|1,0,0]=2 491 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [0,0,0,1,0,0|2,0,0]=3 492 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [0,0,0,1,0,0|2,0,0]=3 493 B11R2.10 c1cncc2c1[nH]c(=O)[nH]2 TS05978 [0,0,0,1,0,0|3,0,0]=4 494 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [0,0,0,1,0,0|2,0,1]=4 495 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [0,0,0,1,0,0|2,0,1]=4 496 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [0,0,0,1,0,0|2,0,1]=4 497 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [0,0,0,1,0,0|2,0,1]=4 498 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [0,0,0,0,1,0|3,0,0]=4 499 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,0,0,0,1,0|1,0,1]=3 500 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,0,0,0,1,0|2,0,1]=4 501 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,0,0,0,1,0|2,0,1]=4 502 B9R1.6 B(c1ccncc1)(O)O TS39931 [0,0,0,0,1,0|2,0,1]=4 503 B9R1.6 B(c1ccncc1)(O)O TS90264 [0,0,0,0,1,0|2,0,1]=4 504 B9R1.6 B(c1ccncc1)(O)O TS93424 [0,0,0,0,1,0|2,0,1]=4 505 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,0,0,0,1,0|2,0,0]=3 506 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,0,0,0,1,0|2,0,0]=3 507 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,0,0,1,0|2,0,0]=3 508 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,0,0,1,0|1,0,0]=2 509 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,0,0,1,0|1,0,0]=2 510 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,0,0,1,0|1,0,0]=2 511 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,0,0,1,0|1,0,0]=2 512 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,0,0,0,1,0|2,0,0]=3 513 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,0,0,1,0|2,0,0]=3 514 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,0,0,0,1,0|3,0,0]=4 515 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,0,0,0,1,0|2,0,0]=3 516 B9R1.6 CC(=O)c1ccncn1 TS87400 [0,0,0,0,1,0|3,0,0]=4 517 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,0,0,0,1,0|3,0,0]=4 518 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,0,0,0,1,0|3,0,0]=4 519 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,0,0,0,1,0|3,0,0]=4 520 B9R1.6 CC(=O)c1ncccn1 TS91588 [0,0,0,0,1,0|3,0,0]=4 521 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,0,0,1,0|2,0,1]=4 522 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,0,0,1,0|2,0,1]=4 523 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,0,0,1,0|1,0,1]=3 524 B9R1.6 CC(c1ccccn1)O TS08930 [0,0,0,0,1,0|2,0,1]=4 525 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,0,0,1,0|3,0,0]=4 526 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,0,0,1,0|3,0,0]=4 527 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,0,0,1,0|3,0,0]=4 528 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,0,0,1,0|3,0,0]=4 529 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,0,0,1,0|2,0,1]=4 530 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,0,0,1,0|1,0,1]=3 531 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,0,0,0,1,0|2,0,1]=4 532 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,0,0,1,0|2,0,1]=4 533 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,0,0,0,1,0|2,0,1]=4 534 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,0,0,1,0|2,0,1]=4 535 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,0,0,1,0|2,0,1]=4 536 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,0,0,1,0|1,0,1]=3 537 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,0,0,0,1,0|2,0,1]=4 538 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,0,0,1,0|2,0,1]=4 539 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,0,0,0,1,0|2,0,1]=4 540 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,0,0,1,0|2,1,0]=4 541 B9R1.6 c1c(cncn1)C(=O)O TS11330 [0,0,0,0,1,0|2,0,0]=3 542 B9R1.6 c1c(cncn1)C(=O)O TS88781 [0,0,0,0,1,0|2,0,0]=3 543 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [0,0,0,0,1,0|2,0,1]=4 544 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,0,0,0,1,0|3,0,0]=4 545 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,0,0,0,1,0|2,0,0]=3 546 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,0,0,0,1,0|2,0,0]=3 547 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,0,0,0,1,0|2,0,0]=3 548 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,0,0,0,1,0|2,0,0]=3 549 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,0,0,0,1,0|2,0,0]=3 550 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,0,0,0,1,0|1,0,0]=2 551 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,0,0,0,1,0|1,0,1]=3 552 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,0,0,0,1,0|1,0,1]=3 553 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,0,0,0,1,0|1,0,1]=3 554 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,0,0,0,1,0|2,1,0]=4 555 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,0,0,0,1,0|1,1,0]=3 556 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,0,0,0,1,0|2,0,1]=4 557 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [0,0,0,0,1,0|2,0,0]=3 558 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,0,0,0,1,0|2,0,0]=3 559 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,0,0,0,1,0|2,0,0]=3 560 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,0,0,0,1,0|2,0,0]=3 561 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,0,0,0,1,0|1,0,0]=2 562 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,0,0,0,1,0|1,0,0]=2 563 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,0,0,0,1,0|1,0,0]=2 564 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,0,0,0,1,0|1,0,0]=2 565 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,0,0,0,1,0|0,0,0]=1 566 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,0,0,0,1,0|0,0,0]=1 567 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,0,0,0,1,0|0,0,0]=1 568 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,0,0,0,1,0|0,0,0]=1 569 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,0,0,0,1,0|0,0,0]=1 570 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,0,0,0,1,0|0,0,1]=2 571 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,0,0,0,1,0|0,0,1]=2 572 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,0,0,0,1,0|0,0,1]=2 573 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,0,0,0,1,0|0,0,1]=2 574 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,0,0,0,1,0|0,0,1]=2 575 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,0,0,0,1,0|1,1,0]=3 576 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,0,0,0,1,0|0,1,0]=2 577 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,0,0,0,1,0|2,0,1]=4 578 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,0,0,0,1,0|2,0,1]=4 579 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [0,0,0,0,1,0|1,0,1]=3 580 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [0,0,0,0,1,0|3,0,0]=4 581 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,0,0,0,1,0|1,0,0]=2 582 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [0,0,0,0,1,0|1,0,1]=3 583 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [0,0,0,0,1,0|3,0,0]=4 584 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [0,0,0,0,1,0|1,0,1]=3 585 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [0,0,0,0,1,0|1,0,1]=3 586 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [0,0,0,0,1,0|1,0,1]=3 587 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [0,0,0,0,1,0|1,0,1]=3 588 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [0,0,0,0,1,0|2,1,0]=4 589 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,0,0,0,1,0|3,0,0]=4 590 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,0,0,0,1,0|2,0,0]=3 591 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,0,0,0,1,0|2,0,0]=3 592 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,0,0,0,1,0|1,0,0]=2 593 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,0,0,0,1,0|1,0,1]=3 594 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,0,0,0,1,0|1,0,1]=3 595 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,0,0,0,1,0|1,0,1]=3 596 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,0,0,0,1,0|1,0,1]=3 597 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,0,0,0,1,0|1,0,1]=3 598 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,0,0,0,1,0|2,1,0]=4 599 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [0,0,0,0,1,0|3,0,0]=4 600 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,0,0,0,1,0|2,0,0]=3 601 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [0,0,0,0,1,0|2,0,0]=3 602 B9R1.6 c1cnccc1C(=N)N TS01862 [0,0,0,0,1,0|3,0,0]=4 603 B9R1.6 c1cnccc1C(=O)Cl TS46358 [0,0,0,0,1,0|2,0,0]=3 604 B9R1.6 c1cnccc1C(=O)N TS74511 [0,0,0,0,1,0|2,0,0]=3 605 B9R1.6 c1cnccc1C(=O)O TS01508 [0,0,0,0,1,0|1,0,0]=2 606 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [0,0,0,0,1,0|1,0,1]=3 607 B9R1.6 c1cnccc1C(=S)N TS06294 [0,0,0,0,1,0|2,1,0]=4 608 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [0,0,0,0,1,0|2,0,1]=4 609 B9R1.6 c1cncnc1C(=O)O TS90236 [0,0,0,0,1,0|2,0,0]=3 610 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [0,0,0,0,1,0|3,0,0]=4 611 B9R1.6 c1cnncc1C(=O)O TS59368 [0,0,0,0,1,0|2,0,0]=3 612 B9R1.13 CC(=O)Cc1ccco1 TS32606 [0,0,0,0,1,0|2,0,0]=3 613 B9R1.13 CC(=O)Nc1cccs1 TS08939 [0,0,0,0,1,0|3,0,0]=4 614 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [0,0,0,0,1,0|3,0,0]=4 615 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,1,0|2,0,1]=4 616 B9R1.13 c1c(nc[nH]1)CC(=O)O TS42528 [0,0,0,0,1,0|2,0,0]=3 617 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS40591 [0,0,0,0,1,0|2,0,1]=4 618 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS43002 [0,0,0,0,1,0|2,0,1]=4 619 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [0,0,0,0,1,0|1,0,0]=2 620 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [0,0,0,0,1,0|1,0,0]=2 621 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [0,0,0,0,1,0|1,0,0]=2 622 B9R1.13 c1cc(sc1)CC(=N)N TS37404 [0,0,0,0,1,0|3,0,0]=4 623 B9R1.13 c1cc(sc1)CC(=O)Cl TS65658 [0,0,0,0,1,0|2,0,0]=3 624 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,0,0,0,1,0|2,0,0]=3 625 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [0,0,0,0,1,0|1,0,0]=2 626 B9R1.13 c1cn(cn1)CC(=O)O TS05147 [0,0,0,0,1,0|2,0,0]=3 627 B9R1.13 c1cn(cn1)CC(=O)O TS64997 [0,0,0,0,1,0|2,0,0]=3 628 B9R1.13 c1cn(nn1)CC(=O)O TS05241 [0,0,0,0,1,0|3,0,0]=4 629 B9R1.13 c1cnn(n1)CC(=O)O TS60292 [0,0,0,0,1,0|3,0,0]=4 630 B9R1.13 c1csc(n1)CC(=O)O TS88799 [0,0,0,0,1,0|2,0,0]=3 631 B9R1.13 c1cscc1CC(=N)N TS37397 [0,0,0,0,1,0|3,0,0]=4 632 B9R1.13 c1cscc1CC(=O)Cl TS42246 [0,0,0,0,1,0|2,0,0]=3 633 B9R1.13 c1cscc1CC(=O)O TS00281 [0,0,0,0,1,0|1,0,0]=2 634 B9R1.13 c1nc([nH]n1)CC(=O)O TS89434 [0,0,0,0,1,0|3,0,0]=4 635 B9R1.13 c1ncn(n1)CC(=O)O TS05250 [0,0,0,0,1,0|3,0,0]=4 636 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [0,0,0,0,0,1|1,0,2]=4 637 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [0,0,0,0,0,1|1,0,1]=3 638 B11R1.91 B(O)(O)O[Hg]c1ccccc1 TS78404 [0,0,0,0,0,1|2,0,1]=4 639 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,0,0,0,1|2,0,0]=3 640 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,0,0,0,1|2,0,0]=3 641 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,0,0,0,1|2,0,0]=3 642 B11R1.91 CC(=NNc1ccccc1)C TS40667 [0,0,0,0,0,1|3,0,0]=4 643 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,0,0,0,1|1,0,1]=3 644 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,0,0,0,1|1,0,1]=3 645 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,0,0,0,1|1,0,1]=3 646 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,1|1,0,0]=2 647 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,1|1,0,0]=2 648 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,1|1,0,0]=2 649 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,1|1,0,0]=2 650 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,1|2,0,0]=3 651 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,0,0,0,1|2,0,0]=3 652 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,1|1,0,0]=2 653 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,0,0,0,0,1|2,0,0]=3 654 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,0,0,0,0,1|2,0,0]=3 655 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,0,0,0,1|2,0,0]=3 656 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [0,0,0,0,0,1|3,0,0]=4 657 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,0,0,0,1|2,0,0]=3 658 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,0,0,0,0,1|1,0,2]=4 659 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,0,0,0,0,1|2,0,1]=4 660 B11R1.91 CC(C)NCc1ccccc1 TS33065 [0,0,0,0,0,1|2,0,1]=4 661 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,0,0,0,0,1|2,0,1]=4 662 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,0,0,0,1|1,0,1]=3 663 B11R1.91 CC(COc1ccccc1)Cl TS45253 [0,0,0,0,0,1|2,0,1]=4 664 B11R1.91 CC(COc1ccccc1)N TS41032 [0,0,0,0,0,1|2,0,1]=4 665 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,0,0,0,0,1|3,0,0]=4 666 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,0,0,0,0,1|2,0,1]=4 667 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,0,0,0,0,1|2,0,1]=4 668 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,0,0,0,0,1|2,1,0]=4 669 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [0,0,0,0,0,1|1,0,1]=3 670 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,1|1,0,0]=2 671 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [0,0,0,0,0,1|0,0,1]=2 672 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [0,0,0,0,0,1|1,0,1]=3 673 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [0,0,0,0,0,1|1,0,1]=3 674 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,0,0,0,1|0,0,1]=2 675 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [0,0,0,0,0,1|0,0,2]=3 676 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [0,0,0,0,0,1|0,0,2]=3 677 B11R1.91 c1ccc(cc1)C=C[N+](=O)[O-] TS40725 [0,0,0,0,0,1|1,0,2]=4 678 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,0,0,0,0,1|1,0,0]=2 679 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,0,0,0,0,1|1,0,0]=2 680 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,0,0,0,1|0,0,0]=1 681 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [0,0,0,0,0,1|1,0,1]=3 682 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,0,0,0,0,1|2,0,0]=3 683 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,0,0,0,0,1|1,0,0]=2 684 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [0,0,0,0,0,1|1,1,0]=3 685 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,0,0,0,1|1,0,0]=2 686 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,0,0,0,1|1,0,0]=2 687 B11R1.91 c1ccc(cc1)COP(Cl)Cl TS43583 [0,0,0,0,0,1|3,0,0]=4 688 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,0,0,0,0,1|2,0,0]=3 689 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,0,0,0,0,1|0,0,0]=1 690 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,0,0,0,0,1|0,0,1]=2 691 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [0,0,0,0,0,1|2,0,0]=3 692 B11R1.91 c1ccc(cc1)NNC(=S)N TS12419 [0,0,0,0,0,1|2,1,0]=4 693 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,0,0,0,0,1|2,0,0]=3 694 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,0,0,0,0,1|1,0,0]=2 695 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,0,0,0,0,1|1,0,0]=2 696 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,0,0,0,0,1|0,0,0]=1 697 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,0,0,0,0,1|0,0,0]=1 698 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,0,0,0,0,1|0,0,1]=2 699 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,0,0,0,0,1|0,0,1]=2 700 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,0,0,0,0,1|0,0,1]=2 701 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,0,0,0,0,1|1,1,0]=3 702 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,0,0,0,0,1|2,0,0]=3 703 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [0,0,0,0,0,1|1,1,0]=3 704 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [0,0,0,0,0,1|1,0,1]=3 705 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,0,0,0,0,1|1,0,0]=2 706 B11R1.91 c1cnc(nc1)SCC(=O)O TS45124 [0,0,0,0,0,1|2,0,0]=3 707 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [0,0,0,0,0,1|1,0,1]=3 708 B11R1.91 c1cnccc1SCC(=O)Cl TS23781 [0,0,0,0,0,1|2,0,0]=3 709 B11R1.91 c1cnccc1SCC(=O)O TS46555 [0,0,0,0,0,1|1,0,0]=2 710 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 711 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,1]=3 712 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|1,0,1]=4 713 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|1,0,1]=4 714 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|1,0,1]=4 715 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,1]=4 716 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,1]=4 717 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,1]=3 718 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,1]=4 719 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,1]=4 720 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,1]=4 721 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,1]=4 722 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,1]=4 723 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,1]=4 724 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,1]=4 725 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,1]=4 726 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,1]=4 727 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,1]=4 728 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 729 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|2,0,0]=4 730 B8R1.2 c1c(cncn1)CO TS55504 [2,0,0,0,0,0|2,0,0]=4 731 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 732 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 733 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 735 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|1,0,0]=3 738 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|1,0,0]=3 739 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.2 c1cc(nnc1)CO TS59365 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 742 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 743 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,0]=2 744 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 745 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 746 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 747 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,0]=3 748 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,0]=3 749 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|0,0,0]=2 750 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|0,1,0]=3 751 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,0]=3 752 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,0]=3 753 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 754 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 755 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 756 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 757 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,0]=3 758 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,0]=3 759 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 760 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 761 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 762 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 763 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 764 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 765 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 766 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 767 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 768 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 769 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 770 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|2,0,0]=4 771 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|1,0,0]=3 772 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|1,0,0]=3 773 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|1,1,0]=4 774 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 775 B8R1.2 c1cnc(cn1)CO TS88438 [2,0,0,0,0,0|2,0,0]=4 776 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 777 B8R1.2 c1cnc(nc1)CO TS00517 [2,0,0,0,0,0|2,0,0]=4 778 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 779 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 781 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|2,0,0]=4 782 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|1,0,0]=3 783 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|1,0,0]=3 784 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|2,0,0]=4 785 B8R1.2 c1cncnc1CO TS33139 [2,0,0,0,0,0|2,0,0]=4 786 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 787 B8R1.2 c1cnncc1CO TS89532 [2,0,0,0,0,0|2,0,0]=4 788 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|1,0,1]=4 791 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|0,0,0]=2 803 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|0,0,1]=3 806 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.1 c1cc(ccc1C=NO)F TS37276 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,1,0,0,0,0|1,0,1]=4 818 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|0,0,0]=2 822 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|0,0,0]=2 823 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|0,0,0]=2 824 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|0,0,0]=2 825 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|0,0,0]=2 826 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,1]=4 831 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|0,0,1]=3 843 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|0,0,1]=3 844 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|0,0,1]=3 845 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|0,0,1]=3 846 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|0,0,1]=3 847 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [1,1,0,0,0,0|1,0,1]=4 854 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [1,1,0,0,0,0|1,0,1]=4 855 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [1,1,0,0,0,0|1,0,1]=4 856 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [1,1,0,0,0,0|1,0,1]=4 857 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.1 c1cc(ccc1NC=O)F TS37270 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.1 c1cc(ccc1NC=O)O TS37097 [1,1,0,0,0,0|1,0,0]=3 860 B10R1.1 c1cc(ncc1Br)CCO TS86702 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.4 C=CCn1ccccc1=O TS36913 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|1,0,1]=4 873 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,1]=4 875 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|0,0,1]=3 876 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.4 Cc1ccccc1N=C=O TS16709 [1,1,0,0,0,0|1,0,1]=4 878 B10R1.4 Cc1ccccc1NC=O TS36923 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,1,0,0,0,0|1,0,1]=4 888 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,1,0,0,0,0|1,0,1]=4 889 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|0,0,1]=3 898 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|0,0,1]=3 899 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|0,0,1]=3 900 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|0,0,1]=3 901 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|0,0,1]=3 902 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [1,1,0,0,0,0|1,0,1]=4 912 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [1,1,0,0,0,0|1,0,0]=3 916 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|1,0,1]=4 918 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|1,0,1]=4 919 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|0,0,1]=3 927 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,1,0,0,0,0|1,0,0]=3 930 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|0,0,1]=3 936 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,1,0,0,0,0|0,0,0]=2 942 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|0,0,1]=3 945 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.10 c1cc(cc(c1)Cl)N=C=O TS10357 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,1,0,0,0,0|0,0,0]=2 951 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|0,0,1]=3 954 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.10 c1cc(cc(c1)F)N=C=O TS37081 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|0,0,1]=3 959 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|0,0,1]=3 961 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|0,0,1]=3 962 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,0]=3 968 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|0,0,1]=3 973 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.15 CN(C=O)c1ccccn1 TS06069 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|0,0,1]=3 985 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|0,0,1]=3 989 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,1,0,0,0,0|0,0,1]=3 996 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|0,0,2]=4 997 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,1]=4 1005 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|0,0,1]=3 1007 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|0,0,1]=3 1008 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|0,0,1]=3 1013 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|0,0,1]=3 1014 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|0,0,1]=3 1018 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|0,0,1]=3 1019 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.17 C#CCOc1ccccc1 TS36668 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.17 C#CCSc1ccccc1 TS07496 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.17 C=CC=Cc1ccccc1 TS36510 [1,1,0,0,0,0|1,0,1]=4 1023 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.17 C=CCCc1ccncc1 TS36777 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.17 C=CCNc1ccccc1 TS05848 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.17 C=CCOc1ccccc1 TS36847 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.17 C=CCOc1ccccn1 TS36929 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.17 C=CCSc1ccccc1 TS40921 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|1,0,1]=4 1032 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|1,0,1]=4 1033 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|1,0,1]=4 1034 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|1,0,1]=4 1035 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|1,0,1]=4 1036 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,1]=4 1037 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.17 COC=Cc1ccccc1 TS36842 [1,1,0,0,0,0|0,0,1]=3 1040 B10R1.17 COC=Nc1ccccc1 TS36922 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|0,0,1]=3 1042 B10R1.17 COCCc1ccccn1 TS06192 [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|1,0,1]=4 1044 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|1,0,1]=4 1045 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|1,1,0]=4 1047 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|1,0,1]=4 1050 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [1,1,0,0,0,0|0,0,1]=3 1051 B10R1.17 c1ccc(cc1)C#CCO TS36664 [1,1,0,0,0,0|0,0,2]=4 1052 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [1,1,0,0,0,0|0,0,1]=3 1054 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|1,0,1]=4 1056 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|0,0,1]=3 1057 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|0,0,0]=2 1059 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|1,0,1]=4 1060 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|1,0,1]=4 1061 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|0,0,1]=3 1062 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|0,1,1]=4 1063 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,1,0,0,0,0|0,0,1]=3 1065 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,1,0,0,0,0|0,1,1]=4 1066 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,1,0,0,0,0|0,0,0]=2 1068 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,1,0,0,0,0|0,0,0]=2 1069 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,1]=4 1070 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,1,0,0,0,0|1,0,1]=4 1071 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|0,0,1]=3 1076 B10R1.17 c1ccc(cc1)NNC=O TS06048 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,1,0,0,0,0|0,0,0]=2 1078 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|1,0,1]=4 1080 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|1,0,1]=4 1081 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|0,0,1]=3 1082 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|0,0,1]=3 1086 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.17 c1ccnc(c1)NCCO TS45873 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.17 c1ccnc(c1)SCCO TS10597 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.17 c1cnccc1CCCO TS37120 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,1,0,0,1,0|1,0,1]=4 1091 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,1,0,0,1,0|1,0,1]=4 1092 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,1,0,0,1,0|1,0,1]=4 1093 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,1,0,0,1,0|1,0,1]=4 1094 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,1,0,0,1,0|1,0,1]=4 1095 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,1,0,0,1,0|1,0,1]=4 1096 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,1,0,0,1,0|1,0,1]=4 1097 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,1,0,0,1,0|2,0,0]=4 1098 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,1,0,0,1,0|2,0,0]=4 1099 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,1,0|1,0,0]=3 1100 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,1,0|1,0,0]=3 1101 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,1,0|1,0,0]=3 1102 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,1,0|1,0,0]=3 1103 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,1,0|1,0,0]=3 1104 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,1,0|2,0,0]=4 1105 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,1,0|2,0,0]=4 1106 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,1,0|2,0,0]=4 1107 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,1,0|2,0,0]=4 1108 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,1,0,0,1,0|2,0,0]=4 1109 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,1,0,0,1,0|1,0,1]=4 1110 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,1,0,0,1,0|1,0,1]=4 1111 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,1,0,0,1,0|1,0,1]=4 1112 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,1,0,0,1,0|1,0,1]=4 1113 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,1,0,0,1,0|2,0,0]=4 1114 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,1,0,0,1,0|2,0,0]=4 1115 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,1,0,0,1,0|2,0,0]=4 1116 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,1,0,0,1,0|1,0,1]=4 1117 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,1,0,0,1,0|1,0,1]=4 1118 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,1,0,0,1,0|1,0,1]=4 1119 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,1,0,0,1,0|1,0,1]=4 1120 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,1,0,0,1,0|1,0,1]=4 1121 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,1,0,0,1,0|1,0,1]=4 1122 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,1,0|1,0,0]=3 1123 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,1,0|2,0,0]=4 1124 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,1,0,0,1,0|2,0,0]=4 1125 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,1,0|1,0,0]=3 1126 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,1,0|1,0,0]=3 1127 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,1,0|1,0,0]=3 1128 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,1,0|0,0,0]=2 1129 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,1,0,0,1,0|1,1,0]=4 1130 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,1,0,0,1,0|1,0,1]=4 1131 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,1,0|2,0,0]=4 1132 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,1,0|2,0,0]=4 1133 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,1,0,0,1,0|2,0,0]=4 1134 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,1,0,0,1,0|2,0,0]=4 1135 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,1,0,0,1,0|2,0,0]=4 1136 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,1,0,0,1,0|1,0,1]=4 1137 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,1,0,0,1,0|1,0,1]=4 1138 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,1,0,0,1,0|1,0,1]=4 1139 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,1,0,0,1,0|1,0,1]=4 1140 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,1,0|2,0,0]=4 1141 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,1,0|2,0,0]=4 1142 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,1,0|1,0,0]=3 1143 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,1,0|2,0,0]=4 1144 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,1,0|1,0,0]=3 1145 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,1,0,0,1,0|2,0,0]=4 1146 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,1,0,0,1,0|2,0,0]=4 1147 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,1,0,0,1,0|2,0,0]=4 1148 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [0,1,0,0,1,0|2,0,0]=4 1149 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [0,1,0,0,1,0|2,0,0]=4 1150 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [0,1,0,0,1,0|2,0,0]=4 1151 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [0,1,0,0,1,0|2,0,0]=4 1152 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [0,1,0,0,1,0|2,0,0]=4 1153 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [0,1,0,0,1,0|2,0,0]=4 1154 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [0,1,0,0,1,0|2,0,0]=4 1155 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,1,0,0,1,0|2,0,0]=4 1156 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,1,0,0,1,0|2,0,0]=4 1157 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,1,0,0,1,0|2,0,0]=4 1158 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,1,0,0,1,0|2,0,0]=4 1159 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,1,0,0,1,0|2,0,0]=4 1160 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,1,0,0,1,0|1,0,0]=3 1161 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,1,0,0,1,0|2,0,0]=4 1162 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,1,0,0,1,0|2,0,0]=4 1163 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,1,0,0,1,0|2,0,0]=4 1164 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,1,0,0,1,0|2,0,0]=4 1165 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,1,0,0,1,0|2,0,0]=4 1166 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,1,0,0,1,0|2,0,0]=4 1167 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,1,0,0,1,0|2,0,0]=4 1168 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,1,0,0,1,0|2,0,0]=4 1169 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,1,0,0,1,0|2,0,0]=4 1170 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,1,0,0,1,0|2,0,0]=4 1171 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,1,0|1,0,0]=3 1172 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,1,0|1,0,0]=3 1173 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,1,0|1,0,0]=3 1174 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,1,0|1,0,0]=3 1175 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,1,0|1,0,0]=3 1176 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,1,0|1,0,0]=3 1177 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,1,0|1,0,0]=3 1178 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,1,0|1,0,0]=3 1179 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,1,0|1,0,0]=3 1180 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,1,0|1,0,0]=3 1181 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,1,0|0,0,0]=2 1182 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,1,0|0,0,0]=2 1183 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,1,0|0,0,0]=2 1184 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,1,0|0,0,0]=2 1185 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,1,0|0,0,0]=2 1186 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,1,0|0,0,0]=2 1187 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,1,0|0,0,0]=2 1188 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,1,0|0,0,0]=2 1189 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,1,0|0,0,1]=3 1190 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,1,0|0,0,1]=3 1191 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,1,0|0,0,1]=3 1192 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,1,0|0,0,1]=3 1193 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,1,0|0,0,1]=3 1194 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,1,0,0,1,0|1,1,0]=4 1195 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,1,0,0,1,0|1,1,0]=4 1196 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,1,0,0,1,0|1,1,0]=4 1197 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,1,0,0,1,0|1,1,0]=4 1198 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,1,0,0,1,0|1,1,0]=4 1199 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,1,0,0,1,0|1,0,0]=3 1200 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,1,0,0,1,0|1,0,1]=4 1201 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,1,0,0,1,0|1,0,1]=4 1202 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,1,0,0,1,0|1,0,1]=4 1203 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,1,0,0,1,0|1,0,1]=4 1204 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,1,0,0,1,0|1,0,1]=4 1205 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,1,0,0,1,0|1,0,1]=4 1206 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,1,0,0,1,0|1,0,1]=4 1207 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,1,0,0,1,0|1,0,1]=4 1208 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,1,0,0,1,0|1,0,1]=4 1209 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,1,0,0,1,0|1,0,1]=4 1210 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,1,0,0,1,0|1,0,1]=4 1211 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,1,0,0,1,0|2,0,0]=4 1212 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,1,0,0,1,0|2,0,0]=4 1213 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,1,0,0,1,0|1,0,0]=3 1214 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,1,0,0,1,0|2,0,0]=4 1215 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,1,0,0,1,0|2,0,0]=4 1216 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,1,0,0,1,0|2,0,0]=4 1217 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,1,0,0,1,0|1,0,0]=3 1218 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,1,0,0,1,0|1,0,0]=3 1219 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,1,0,0,1,0|1,0,0]=3 1220 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,1,0,0,1,0|1,0,0]=3 1221 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,1,0,0,1,0|1,0,0]=3 1222 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,1,0,0,1,0|1,0,0]=3 1223 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,1,0,0,1,0|1,0,0]=3 1224 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,1,0,0,1,0|1,0,0]=3 1225 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,1,0,0,1,0|1,0,0]=3 1226 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,1,0,0,1,0|2,0,0]=4 1227 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,1,0,0,1,0|1,0,0]=3 1228 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,1,0,0,1,0|1,0,0]=3 1229 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,1,0,0,1,0|1,0,0]=3 1230 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,1,0,0,1,0|2,0,0]=4 1231 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,1,0,0,1,0|2,0,0]=4 1232 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,1,0,0,1,0|2,0,0]=4 1233 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,1,0,0,1,0|1,0,0]=3 1234 B10R1.28 CC(C)(c1ccccc1)O TS37014 [0,1,0,0,1,0|1,0,1]=4 1235 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [0,1,0,0,1,0|1,0,0]=3 1236 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [0,1,0,0,1,0|2,0,0]=4 1237 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [0,1,0,0,1,0|2,0,0]=4 1238 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [0,1,0,0,1,0|1,0,1]=4 1239 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [0,1,0,0,1,0|2,0,0]=4 1240 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [0,1,0,0,1,0|2,0,0]=4 1241 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [0,1,0,0,1,0|1,0,0]=3 1242 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [0,1,0,0,1,0|1,0,1]=4 1243 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [0,1,0,0,1,0|1,0,1]=4 1244 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [0,1,0,0,1,0|1,0,1]=4 1245 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [0,1,0,0,1,0|1,0,1]=4 1246 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [0,1,0,0,1,0|1,0,1]=4 1247 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [0,1,0,0,1,0|1,0,0]=3 1248 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [0,1,0,0,1,0|1,0,0]=3 1249 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [0,1,0,0,1,0|1,0,1]=4 1250 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [0,1,0,0,1,0|1,0,1]=4 1251 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [0,1,0,0,1,0|1,0,1]=4 1252 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [0,1,0,0,1,0|1,0,1]=4 1253 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [0,1,0,0,1,0|1,0,1]=4 1254 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [0,1,0,0,1,0|1,0,1]=4 1255 B10R1.28 c1ccnc(c1)S(=O)(=O)O TS59373 [0,1,0,0,1,0|2,0,0]=4 1256 B10R1.28 c1cnccc1S(=O)(=O)O TS11115 [0,1,0,0,1,0|2,0,0]=4 1257 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [0,1,0,0,1,0|1,0,1]=4 1258 B10R1.61 B(c1ccccc1C)(O)O TS02443 [0,1,0,0,1,0|1,0,1]=4 1259 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [0,1,0,0,1,0|1,0,1]=4 1260 B10R1.61 B(c1ccccc1F)(O)O TS37322 [0,1,0,0,1,0|1,0,1]=4 1261 B10R1.61 B(c1ccccc1I)(O)O TS27680 [0,1,0,0,1,0|1,0,1]=4 1262 B10R1.61 B(c1ccccc1N)(O)O TS45687 [0,1,0,0,1,0|1,0,1]=4 1263 B10R1.61 B(c1ccccc1N)(O)O TS94617 [0,1,0,0,1,0|1,0,1]=4 1264 B10R1.61 B(c1ccccc1O)(O)O TS55396 [0,1,0,0,1,0|1,0,1]=4 1265 B10R1.61 B(c1ccccc1S)(O)O TS94336 [0,1,0,0,1,0|1,0,1]=4 1266 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,1,0,0,1,0|2,0,0]=4 1267 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,1,0,0,1,0|2,0,0]=4 1268 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,1,0,0,1,0|2,0,0]=4 1269 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,1,0,0,1,0|2,0,0]=4 1270 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,1,0,0,1,0|2,0,0]=4 1271 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,1,0,0,1,0|1,0,0]=3 1272 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,1,0,0,1,0|1,0,0]=3 1273 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,1,0,0,1,0|1,0,0]=3 1274 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,1,0,0,1,0|1,0,0]=3 1275 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,1,0,0,1,0|1,0,0]=3 1276 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,1,0|2,0,0]=4 1277 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,1,0|2,0,0]=4 1278 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,1,0|2,0,0]=4 1279 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,1,0|2,0,0]=4 1280 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,1,0,0,1,0|2,0,0]=4 1281 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,1,0,0,1,0|2,0,0]=4 1282 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,1,0,0,1,0|2,0,0]=4 1283 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,1,0,0,1,0|2,0,0]=4 1284 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,1,0,0,1,0|2,0,0]=4 1285 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,1,0,0,1,0|1,0,1]=4 1286 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,1,0,0,1,0|1,0,1]=4 1287 B10R1.61 CC(c1ccccc1F)O TS08150 [0,1,0,0,1,0|1,0,1]=4 1288 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [0,1,0,0,1,0|0,0,2]=4 1289 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,1,0,0,1,0|2,0,0]=4 1290 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,1,0,0,1,0|1,0,1]=4 1291 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,1,0,0,1,0|1,0,1]=4 1292 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,1,0,0,1,0|1,0,1]=4 1293 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,1,0,0,1,0|1,0,1]=4 1294 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,1,0,0,1,0|1,0,1]=4 1295 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,1,0,0,1,0|1,0,0]=3 1296 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,1,0,0,1,0|1,0,0]=3 1297 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [0,1,0,0,1,0|2,0,0]=4 1298 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,1,0,0,1,0|2,0,0]=4 1299 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,1,0,0,1,0|2,0,0]=4 1300 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,1,0,0,1,0|2,0,0]=4 1301 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,1,0,0,1,0|1,0,0]=3 1302 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,1,0,0,1,0|1,0,0]=3 1303 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,1,0,0,1,0|1,0,0]=3 1304 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,1,0,0,1,0|0,0,0]=2 1305 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,1,0,0,1,0|1,1,0]=4 1306 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,1,0,0,1,0|1,0,1]=4 1307 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,1,0,0,1,0|1,0,1]=4 1308 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,1,0,0,1,0|1,0,0]=3 1309 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,1,0,0,1,0|1,0,0]=3 1310 B10R1.61 Cc1ccncc1C(=O)O TS39766 [0,1,0,0,1,0|1,0,0]=3 1311 B10R1.61 Cc1ccncc1C(=O)O TS71235 [0,1,0,0,1,0|1,0,0]=3 1312 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [0,1,0,0,1,0|2,0,0]=4 1313 B10R1.61 Cc1cnccc1C(=O)N TS02849 [0,1,0,0,1,0|2,0,0]=4 1314 B10R1.61 Cc1cnccc1C(=O)O TS06159 [0,1,0,0,1,0|1,0,0]=3 1315 B10R1.61 Cc1cnccc1C(=O)O TS86033 [0,1,0,0,1,0|1,0,0]=3 1316 B10R1.61 Cc1cnncc1C(=O)O TS87483 [0,1,0,0,1,0|2,0,0]=4 1317 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [0,1,0,0,1,0|2,0,0]=4 1318 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [0,1,0,0,1,0|2,0,0]=4 1319 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [0,1,0,0,1,0|2,0,0]=4 1320 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [0,1,0,0,1,0|2,0,0]=4 1321 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [0,1,0,0,1,0|2,0,0]=4 1322 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [0,1,0,0,1,0|1,0,0]=3 1323 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [0,1,0,0,1,0|2,0,0]=4 1324 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,1,0,0,1,0|2,0,0]=4 1325 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [0,1,0,0,1,0|1,0,0]=3 1326 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [0,1,0,0,1,0|1,0,0]=3 1327 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [0,1,0,0,1,0|1,0,0]=3 1328 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [0,1,0,0,1,0|1,0,0]=3 1329 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [0,1,0,0,1,0|1,0,0]=3 1330 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,1,0,0,1,0|1,0,0]=3 1331 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,1,0,0,1,0|1,0,0]=3 1332 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [0,1,0,0,1,0|2,0,0]=4 1333 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [0,1,0,0,1,0|2,0,0]=4 1334 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [0,1,0,0,1,0|1,0,0]=3 1335 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [0,1,0,0,1,0|1,0,0]=3 1336 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [0,1,0,0,1,0|1,0,0]=3 1337 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [0,1,0,0,1,0|2,0,0]=4 1338 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [0,1,0,0,1,0|1,0,0]=3 1339 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [0,1,0,0,1,0|1,0,0]=3 1340 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,1,0,0,1,0|1,0,0]=3 1341 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,1,0,0,1,0|1,0,0]=3 1342 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,1,0,0,1,0|2,0,0]=4 1343 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,1,0,0,1,0|1,0,0]=3 1344 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,1,0,0,1,0|1,0,0]=3 1345 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,1,0,0,1,0|1,0,0]=3 1346 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,1,0,0,1,0|1,0,0]=3 1347 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,1,0,0,1,0|1,0,0]=3 1348 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,1,0,0,1,0|1,0,0]=3 1349 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,1,0,0,1,0|1,0,0]=3 1350 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,1,0,0,1,0|1,0,0]=3 1351 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,1,0,0,1,0|1,0,0]=3 1352 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,1,0,0,1,0|1,0,0]=3 1353 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,1,0,0,1,0|0,0,0]=2 1354 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,1,0,0,1,0|0,0,0]=2 1355 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,1,0,0,1,0|0,0,0]=2 1356 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,1,0,0,1,0|0,0,0]=2 1357 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,1,0,0,1,0|0,0,0]=2 1358 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,1,0,0,1,0|0,0,0]=2 1359 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,1,0,0,1,0|0,0,0]=2 1360 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,1,0,0,1,0|0,0,0]=2 1361 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,1,0,0,1,0|0,0,1]=3 1362 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,1,0,0,1,0|0,0,1]=3 1363 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,1,0,0,1,0|0,0,1]=3 1364 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,1,0,0,1,0|0,0,1]=3 1365 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,1,0,0,1,0|0,0,1]=3 1366 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,1,0,0,1,0|0,0,1]=3 1367 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,1,0,0,1,0|0,0,1]=3 1368 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,1,0,0,1,0|0,0,1]=3 1369 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,1,0,0,1,0|0,0,1]=3 1370 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,1,0,0,1,0|0,0,1]=3 1371 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,1,0,0,1,0|0,0,1]=3 1372 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,1,0,0,1,0|0,0,1]=3 1373 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,1,0,0,1,0|0,0,1]=3 1374 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,1,0,0,1,0|0,0,1]=3 1375 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,1,0,0,1,0|1,1,0]=4 1376 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,1,0,0,1,0|1,1,0]=4 1377 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,1,0,0,1,0|1,1,0]=4 1378 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,1,0,0,1,0|1,1,0]=4 1379 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,1,0,0,1,0|1,1,0]=4 1380 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,1,0,0,1,0|1,0,1]=4 1381 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,1,0,0,1,0|1,0,1]=4 1382 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,1,0,0,1,0|1,0,1]=4 1383 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,1,0,0,1,0|1,0,1]=4 1384 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,1,0,0,1,0|1,0,1]=4 1385 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,1,0,0,1,0|1,0,1]=4 1386 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,1,0,0,1,0|1,0,1]=4 1387 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,1,0,0,1,0|1,0,1]=4 1388 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,1,0,0,1,0|1,0,1]=4 1389 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,1,0,0,1,0|2,0,0]=4 1390 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,1,0,0,1,0|2,0,0]=4 1391 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,1,0,0,1,0|2,0,0]=4 1392 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [0,1,0,0,1,0|1,0,0]=3 1393 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [0,1,0,0,1,0|2,0,0]=4 1394 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [0,1,0,0,1,0|1,0,0]=3 1395 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [0,1,0,0,1,0|1,0,0]=3 1396 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [0,1,0,0,1,0|1,0,0]=3 1397 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [0,1,0,0,1,0|1,0,0]=3 1398 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [0,1,0,0,1,0|1,0,0]=3 1399 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [0,1,0,0,1,0|1,0,0]=3 1400 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [0,1,0,0,1,0|1,0,0]=3 1401 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [0,1,0,0,1,0|1,0,0]=3 1402 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,1,0,0,1,0|1,0,0]=3 1403 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [0,1,0,0,1,0|1,0,0]=3 1404 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [0,1,0,0,1,0|1,0,0]=3 1405 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [0,1,0,0,1,0|2,0,0]=4 1406 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [0,1,0,0,1,0|1,0,0]=3 1407 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [0,1,0,0,1,0|1,0,0]=3 1408 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,1,0,0,1,0|1,0,0]=3 1409 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [0,1,0,0,1,0|2,0,0]=4 1410 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [0,1,0,0,1,0|2,0,0]=4 1411 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [0,1,0,0,1,0|1,0,1]=4 1412 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [0,1,0,0,1,0|1,0,1]=4 1413 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [0,1,0,0,1,0|1,0,1]=4 1414 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [0,1,0,0,1,0|1,0,1]=4 1415 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [0,1,0,0,1,0|1,0,1]=4 1416 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [0,1,0,0,1,0|1,0,1]=4 1417 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [0,1,0,0,1,0|1,0,1]=4 1418 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [0,1,0,0,1,0|1,0,1]=4 1419 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [0,1,0,0,1,0|1,0,1]=4 1420 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [0,1,0,0,1,0|1,0,1]=4 1421 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,1,0,0,1,0|2,0,0]=4 1422 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,1,0,0,1,0|2,0,0]=4 1423 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,1,0,0,1,0|2,0,0]=4 1424 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,1,0,0,1,0|1,0,0]=3 1425 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,1,0,0,1,0|1,0,0]=3 1426 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,1,0,0,1,0|1,0,0]=3 1427 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,1,0,0,1,0|1,0,0]=3 1428 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,1,0,0,1,0|1,0,0]=3 1429 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,1,0,0,1,0|1,0,0]=3 1430 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,1,0,0,1,0|2,0,0]=4 1431 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,1,0,0,1,0|2,0,0]=4 1432 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,1,0,0,1,0|2,0,0]=4 1433 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [0,1,0,0,1,0|1,0,1]=4 1434 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [0,1,0,0,1,0|1,0,1]=4 1435 B10R1.113 CC(c1cccc(c1)F)O TS37373 [0,1,0,0,1,0|1,0,1]=4 1436 B10R1.113 CC(c1cccc(c1)N)O TS37125 [0,1,0,0,1,0|1,0,1]=4 1437 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [0,1,0,0,1,0|1,0,1]=4 1438 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [0,1,0,0,1,0|1,0,1]=4 1439 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,1,0,0,1,0|2,0,0]=4 1440 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,1,0,0,1,0|2,0,0]=4 1441 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,1,0,0,1,0|1,0,0]=3 1442 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,1,0,0,1,0|2,0,0]=4 1443 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,1,0,0,1,0|1,0,0]=3 1444 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,1,0,0,1,0|1,0,0]=3 1445 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,1,0,0,1,0|2,0,0]=4 1446 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,1,0,0,1,0|2,0,0]=4 1447 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,1,0,0,1,0|1,0,0]=3 1448 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,1,0,0,1,0|1,0,0]=3 1449 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,1,0,0,1,0|1,0,0]=3 1450 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,1,0,0,1,0|0,0,0]=2 1451 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,1,0,0,1,0|1,1,0]=4 1452 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,1,0,0,1,0|1,0,1]=4 1453 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,1,0,0,1,0|1,0,1]=4 1454 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,1,0,0,1,0|2,0,0]=4 1455 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,1,0,0,1,0|2,0,0]=4 1456 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,1,0,0,1,0|1,0,0]=3 1457 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,1,0,0,1,0|2,0,0]=4 1458 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,1,0,0,1,0|2,0,0]=4 1459 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [0,1,0,0,1,0|2,0,0]=4 1460 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,1,0,0,1,0|2,0,0]=4 1461 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,1,0,0,1,0|2,0,0]=4 1462 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,1,0,0,1,0|1,0,0]=3 1463 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,1,0,0,1,0|1,0,0]=3 1464 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,1,0,0,1,0|1,0,0]=3 1465 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,1,0,0,1,0|2,0,0]=4 1466 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,1,0,0,1,0|1,0,0]=3 1467 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,1,0,0,1,0|1,0,0]=3 1468 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,1,0,0,1,0|1,0,0]=3 1469 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [0,1,0,0,1,0|2,0,0]=4 1470 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,1,0,0,1,0|2,0,0]=4 1471 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [0,1,0,0,1,0|2,0,0]=4 1472 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [0,1,0,0,1,0|2,0,0]=4 1473 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [0,1,0,0,1,0|2,0,0]=4 1474 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,1,0,0,1,0|1,0,0]=3 1475 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,1,0,0,1,0|1,0,0]=3 1476 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,1,0,0,1,0|0,0,0]=2 1477 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [0,1,0,0,1,0|1,1,0]=4 1478 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [0,1,0,0,1,0|1,0,1]=4 1479 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [0,1,0,0,1,0|2,0,0]=4 1480 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [0,1,0,0,1,0|2,0,0]=4 1481 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,1,0,0,1,0|1,0,0]=3 1482 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,1,0,0,1,0|1,0,0]=3 1483 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,1,0,0,1,0|0,0,0]=2 1484 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [0,1,0,0,1,0|1,1,0]=4 1485 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [0,1,0,0,1,0|1,0,1]=4 1486 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [0,1,0,0,1,0|2,0,0]=4 1487 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [0,1,0,0,1,0|2,0,0]=4 1488 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,1,0,0,1,0|1,0,0]=3 1489 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,1,0,0,1,0|1,0,0]=3 1490 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,1,0,0,1,0|0,0,0]=2 1491 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,1,0,0,1,0|0,0,1]=3 1492 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [0,1,0,0,1,0|1,1,0]=4 1493 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,1,0,0,1,0|1,0,0]=3 1494 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,1,0,0,1,0|1,0,0]=3 1495 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,1,0,0,1,0|0,0,0]=2 1496 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [0,1,0,0,1,0|1,1,0]=4 1497 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [0,1,0,0,1,0|1,0,1]=4 1498 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [0,1,0,0,1,0|2,0,0]=4 1499 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,1,0,0,1,0|1,0,0]=3 1500 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,1,0,0,1,0|0,0,0]=2 1501 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,1,0,0,1,0|0,0,0]=2 1502 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,1,0,0,1,0|0,0,1]=3 1503 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [0,1,0,0,1,0|1,1,0]=4 1504 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,1,0,0,1,0|1,0,0]=3 1505 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,1,0,0,1,0|0,0,0]=2 1506 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,1,0,0,1,0|0,0,1]=3 1507 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [0,1,0,0,1,0|1,1,0]=4 1508 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [0,1,0,0,1,0|1,0,1]=4 1509 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,1,0,0,1,0|0,0,0]=2 1510 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [0,1,0,0,1,0|1,0,1]=4 1511 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [0,1,0,0,1,0|2,0,0]=4 1512 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [0,1,0,0,1,0|1,0,0]=3 1513 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,1,0,0,1,0|2,0,0]=4 1514 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,1,0,0,1,0|1,0,0]=3 1515 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,1,0,0,1,0|1,0,0]=3 1516 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,1,0,0,1,0|1,0,0]=3 1517 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,1,0,0,1,0|2,0,0]=4 1518 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,1,0,0,1,0|1,0,0]=3 1519 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,1,0,0,1,0|1,0,0]=3 1520 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,1,0,0,1,0|1,0,0]=3 1521 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,1,0,0,1,0|1,0,0]=3 1522 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,1,0,0,1,0|2,0,0]=4 1523 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,1,0,0,1,0|2,0,0]=4 1524 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,1,0,0,1,0|1,0,0]=3 1525 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,1,0,0,1,0|2,0,0]=4 1526 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,1,0,0,1,0|2,0,0]=4 1527 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,1,0,0,1,0|2,0,0]=4 1528 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,1,0,0,1,0|2,0,0]=4 1529 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,1,0,0,1,0|1,0,0]=3 1530 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,1,0,0,1,0|1,0,0]=3 1531 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,1,0,0,1,0|1,0,0]=3 1532 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,1,0,0,1,0|1,0,0]=3 1533 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,1,0,0,1,0|1,0,0]=3 1534 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,1,0,0,1,0|1,0,0]=3 1535 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,1,0,0,1,0|2,0,0]=4 1536 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,1,0,0,1,0|2,0,0]=4 1537 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,1,0,0,1,0|1,0,0]=3 1538 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,1,0,0,1,0|1,0,0]=3 1539 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,1,0,0,1,0|1,0,0]=3 1540 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,1,0,0,1,0|1,0,0]=3 1541 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,1,0,0,1,0|1,0,0]=3 1542 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,1,0,0,1,0|2,0,0]=4 1543 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,1,0,0,1,0|1,0,0]=3 1544 B10R1.23 CC(C(=O)O)n1ccnc1 TS37350 [0,1,0,0,1,0|2,0,0]=4 1545 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,1,0,0,1,0|1,0,1]=4 1546 B10R1.23 c1cc(oc1)C(C(=O)O)N TS06573 [0,1,0,0,1,0|1,0,0]=3 1547 B10R1.23 c1cc(sc1)C(=O)C(=O)O TS10665 [0,1,0,0,1,0|1,0,1]=4 1548 B10R1.23 c1cc(sc1)C(C(=O)O)N TS41779 [0,1,0,0,1,0|1,0,0]=3 1549 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N TS41781 [0,1,0,0,1,0|1,0,0]=3 1550 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N TS08075 [0,1,0,0,1,0|1,0,0]=3 1551 B10R1.23 c1cocc1C(=O)C(=O)O TS06407 [0,1,0,0,1,0|1,0,1]=4 1552 B10R1.23 c1cscc1C(C(=O)O)N TS16452 [0,1,0,0,1,0|1,0,0]=3 1553 B10R1.23 c1cscc1[C@@H](C(=O)O)N TS41778 [0,1,0,0,1,0|1,0,0]=3 1554 B10R1.23 c1cscc1[C@H](C(=O)O)N TS41780 [0,1,0,0,1,0|1,0,0]=3 1555 B10R1.27 COC(=O)Cc1cccs1 TS01563 [0,1,0,0,1,0|1,0,0]=3 1556 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [0,1,0,0,1,0|1,0,0]=3 1557 B10R1.27 c1cscc1CC(=O)NN TS10699 [0,1,0,0,1,0|2,0,0]=4 1558 B10R1.54 Cc1ccn(n1)CC(=O)O TS37360 [0,1,0,0,1,0|2,0,0]=4 1559 B10R1.54 Cc1nc(cs1)CC(=O)O TS41777 [0,1,0,0,1,0|2,0,0]=4 1560 B10R1.54 c1c([nH]nc1N)CC(=O)O TS86306 [0,1,0,0,1,0|2,0,0]=4 1561 B10R1.54 c1c(nc([nH]1)N)CC(=O)O TS37474 [0,1,0,0,1,0|2,0,0]=4 1562 B10R1.54 c1c(nc(s1)CC(=O)O)Cl TS92752 [0,1,0,0,1,0|2,0,0]=4 1563 B10R1.54 c1c(nc(s1)N)CC(=O)O TS10965 [0,1,0,0,1,0|2,0,0]=4 1564 B10R1.54 c1c(nc(s1)N)CC(=O)O TS51939 [0,1,0,0,1,0|2,0,0]=4 1565 B10R1.54 c1c(sc(n1)CC(=O)O)Cl TS86877 [0,1,0,0,1,0|2,0,0]=4 1566 B10R1.54 c1c(sc(n1)N)CC(=O)O TS87043 [0,1,0,0,1,0|2,0,0]=4 1567 B10R1.64 Cc1ccnn1CC(=O)O TS37358 [0,1,0,0,1,0|2,0,0]=4 1568 B10R1.64 Cn1cccc1CC(=O)O TS47003 [0,1,0,0,1,0|1,0,0]=3 1569 B10R1.64 c1csc(=N)n1CC(=O)O TS10967 [0,1,0,0,1,0|2,0,0]=4 1570 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [0,1,0,0,0,1|1,0,1]=4 1571 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [0,1,0,0,0,1|1,0,1]=4 1572 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [0,1,0,0,0,1|1,0,1]=4 1573 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,1,0,0,0,1|1,0,0]=3 1574 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,1,0,0,0,1|1,0,0]=3 1575 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,1,0,0,0,1|1,0,0]=3 1576 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,1,0,0,0,1|1,0,0]=3 1577 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,1,0,0,0,1|1,0,0]=3 1578 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,1,0,0,0,1|1,0,0]=3 1579 B12R1.21 CC(=O)O[Hg]c1ccc(cc1)N TS64802 [0,1,0,0,0,1|2,0,0]=4 1580 B12R1.21 C[C@H](CCc1ccc(cc1)O)O TS93838 [0,1,0,0,0,1|1,0,1]=4 1581 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [0,1,0,0,0,1|0,0,1]=3 1582 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,1,0,0,0,1|0,0,0]=2 1583 B12R1.21 Cc1ccc(cc1)CNC(=S)N TS14660 [0,1,0,0,0,1|1,1,0]=4 1584 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,1,0,0,0,1|1,0,0]=3 1585 B12R1.21 Cc1ccc(cc1)OCC(=O)O TS12179 [0,1,0,0,0,1|0,0,0]=2 1586 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,1,0,0,0,1|1,0,1]=4 1587 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [0,1,0,0,0,1|1,0,1]=4 1588 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [0,1,0,0,0,1|1,0,1]=4 1589 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [0,1,0,0,0,1|0,0,1]=3 1590 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [0,1,0,0,0,1|0,0,1]=3 1591 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [0,1,0,0,0,1|0,0,1]=3 1592 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [0,1,0,0,0,1|0,0,1]=3 1593 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [0,1,0,0,0,1|0,0,1]=3 1594 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [0,1,0,0,0,1|0,0,1]=3 1595 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,1,0,0,0,1|1,0,0]=3 1596 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,1,0,0,0,1|0,0,0]=2 1597 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,1,0,0,0,1|0,0,0]=2 1598 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,1,0,0,0,1|0,0,0]=2 1599 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,1,0,0,0,1|0,0,0]=2 1600 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,1,0,0,0,1|0,0,0]=2 1601 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,1,0,0,0,1|0,0,0]=2 1602 B12R1.21 c1cc(ccc1CNC(=O)N)F TS12511 [0,1,0,0,0,1|1,0,0]=3 1603 B12R1.21 c1cc(ccc1CNC(=O)N)N TS12035 [0,1,0,0,0,1|1,0,0]=3 1604 B12R1.21 c1cc(ccc1CNC(=S)N)Cl TS19125 [0,1,0,0,0,1|1,1,0]=4 1605 B12R1.21 c1cc(ccc1CSC(=N)N)Cl TS26019 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.21 c1cc(ccc1F)SCC(=O)O TS15593 [0,1,0,0,0,1|0,0,0]=2 1607 B12R1.21 c1cc(ccc1N)NCC(=O)O TS43068 [0,1,0,0,0,1|0,0,0]=2 1608 B12R1.21 c1cc(ccc1N)SCC(=O)O TS15156 [0,1,0,0,0,1|0,0,0]=2 1609 B12R1.21 c1cc(ccc1NCC(=O)O)O TS00318 [0,1,0,0,0,1|0,0,0]=2 1610 B12R1.21 c1cc(ccc1NCC(=O)O)O TS43213 [0,1,0,0,0,1|0,0,0]=2 1611 B12R1.21 c1cc(ccc1O)OCC(=O)O TS44827 [0,1,0,0,0,1|0,0,0]=2 1612 B12R1.21 c1cc(ccc1OCC(=N)N)F TS12509 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.21 c1cc(ccc1OCC(=N)[NH3+])F TS19871 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.21 c1cc(ccc1OCC(=O)Cl)F TS16078 [0,1,0,0,0,1|1,0,0]=3 1615 B12R1.21 c1cc(ccc1OCC(=O)O)Br TS53125 [0,1,0,0,0,1|0,0,0]=2 1616 B12R1.21 c1cc(ccc1OCC(=O)O)Cl TS15705 [0,1,0,0,0,1|0,0,0]=2 1617 B12R1.21 c1cc(ccc1OCC(=O)O)F TS45082 [0,1,0,0,0,1|0,0,0]=2 1618 B12R1.21 c1cc(ccc1OCC(=O)O)I TS33985 [0,1,0,0,0,1|0,0,0]=2 1619 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl TS43547 [0,1,0,0,0,1|0,0,1]=3 1620 B12R1.21 c1cc(ccc1SCC(=O)N)Cl TS38177 [0,1,0,0,0,1|1,0,0]=3 1621 B12R1.21 c1cc(ccc1SCC(=O)O)Cl TS19487 [0,1,0,0,0,1|0,0,0]=2 1622 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [0,1,0,0,0,1|1,0,0]=3 1623 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [0,1,0,0,0,1|1,0,0]=3 1624 B12R1.27 CC(=NO)C=Cc1ccccc1 TS42315 [0,1,0,0,0,1|1,0,1]=4 1625 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,1,0,0,0,1|1,0,1]=4 1626 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,1,0,0,0,1|1,0,0]=3 1627 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,1,0,0,0,1|1,0,0]=3 1629 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [0,1,0,0,0,1|1,1,0]=4 1630 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [0,1,0,0,0,1|0,0,1]=3 1631 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,1,0,0,0,1|0,0,1]=3 1632 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [0,1,0,0,0,1|1,0,1]=4 1633 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,1,0,0,0,1|0,0,0]=2 1634 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,1,0,0,0,1|1,0,0]=3 1635 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,1,0,0,0,1|0,0,0]=2 1636 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,1,0,0,0,1|0,0,0]=2 1637 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [0,1,0,0,0,1|0,2,0]=4 1638 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,1,0,0,0,1|1,0,1]=4 1639 B12R1.27 c1cc(cnc1)CCC(=O)NN TS12042 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,1,0,0,0,1|1,0,0]=3 1641 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,1,0,0,0,1|0,0,0]=2 1642 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,1,0,0,0,1|1,0,0]=3 1644 B12R1.27 c1ccc(cc1)CNC(=S)NN TS48122 [0,1,0,0,0,1|1,1,0]=4 1645 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,1,0,0,0,1|1,0,0]=3 1646 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,1,0,0,0,1|1,0,0]=3 1647 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,1,0,0,0,1|1,0,0]=3 1648 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,1,0,0,0,1|1,0,0]=3 1649 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,1,0,0,0,1|1,0,0]=3 1650 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,1,0,0,0,1|0,0,0]=2 1651 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,1,0,0,0,1|0,1,0]=3 1652 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [0,1,0,0,0,1|1,0,0]=3 1653 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [0,1,0,0,0,1|1,0,0]=3 1654 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [0,1,0,0,0,1|0,0,0]=2 1655 B12R1.27 c1ccc(cc1)OCC(=NO)N TS43060 [0,1,0,0,0,1|1,0,0]=3 1656 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [0,1,0,0,0,1|0,0,0]=2 1657 B12R1.27 c1ccc(cc1)OCC(CN)O TS43251 [0,1,0,0,0,1|1,0,1]=4 1658 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,1,0,0,0,1|0,0,2]=4 1659 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [0,1,0,0,0,1|0,0,0]=2 1660 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [0,1,0,0,0,1|0,0,0]=2 1661 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [0,1,0,0,0,1|1,0,1]=4 1662 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,1,0,0,0,1|0,0,1]=3 1663 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,1,0,0,0,1|1,0,0]=3 1664 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 TS15388 [0,1,0,0,0,1|1,0,0]=3 1665 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,1,0,0,0,1|0,0,0]=2 1666 B12R1.43 C[C@@H](C(=O)O)Sc1ccccn1 TS15158 [0,1,0,0,0,1|1,0,0]=3 1667 B12R1.43 C[C@H](C(=O)N)Nc1ccccc1 TS42764 [0,1,0,0,0,1|1,0,0]=3 1668 B12R1.43 c1cc(cnc1)CC(C(=O)O)N TS12237 [0,1,0,0,0,1|1,0,0]=3 1669 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS12231 [0,1,0,0,0,1|1,0,0]=3 1670 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS38351 [0,1,0,0,0,1|1,0,0]=3 1671 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,1,0,0,0,1|0,0,1]=3 1672 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,1,0,0,0,1|0,0,0]=2 1673 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [0,1,0,0,0,1|0,0,1]=3 1674 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [0,1,0,0,0,1|0,0,1]=3 1675 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [0,1,0,0,0,1|0,0,1]=3 1676 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,1,0,0,0,1|1,0,0]=3 1677 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,1,0,0,0,1|0,0,0]=2 1678 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,1,0,0,0,1|0,0,0]=2 1679 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,1,0,0,0,1|0,0,0]=2 1680 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,1,0,0,0,1|0,0,0]=2 1681 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,1,0,0,0,1|1,0,0]=3 1682 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,1,0,0,0,1|1,0,0]=3 1683 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,1,0,0,0,1|0,0,0]=2 1684 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,1,0,0,0,1|0,0,0]=2 1685 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,1,0,0,0,1|1,0,0]=3 1686 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,1,0,0,0,1|1,0,0]=3 1687 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,1,0,0,0,1|0,0,0]=2 1688 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,1,0,0,0,1|0,0,0]=2 1689 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,1,0,0,0,1|0,0,0]=2 1690 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,1,0,0,0,1|0,0,0]=2 1691 B12R1.43 c1ccc(cc1)NC(=N)S(=O)O TS15283 [0,1,0,0,0,1|1,0,1]=4 1692 B12R1.43 c1ccnc(c1)CC(C(=O)O)N TS12233 [0,1,0,0,0,1|1,0,0]=3 1693 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N TS22823 [0,1,0,0,0,1|1,0,0]=3 1694 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N TS43071 [0,1,0,0,0,1|1,0,0]=3 1695 B12R1.43 c1cnccc1CC(C(=O)O)N TS12224 [0,1,0,0,0,1|1,0,0]=3 1696 B12R1.43 c1cnccc1C[C@H](C(=O)O)N TS12232 [0,1,0,0,0,1|1,0,0]=3 1697 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [0,1,0,0,0,1|0,0,1]=3 1698 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,1,0,0,0,1|1,0,0]=3 1699 B12R1.107 CC(=O)CC(=O)c1ccccn1 TS42571 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [0,1,0,0,0,1|0,0,0]=2 1701 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,1,0,0,0,1|1,0,0]=3 1702 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,1,0,0,0,1|1,0,0]=3 1703 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [0,1,0,0,0,1|0,0,0]=2 1704 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,1,0,0,0,1|1,0,0]=3 1705 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [0,1,0,0,0,1|0,0,0]=2 1706 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,1,0,0,0,1|1,0,0]=3 1707 B12R1.107 c1cc(cnc1)C(CC(=O)O)N TS43076 [0,1,0,0,0,1|1,0,0]=3 1708 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N TS12211 [0,1,0,0,0,1|1,0,0]=3 1709 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N TS12220 [0,1,0,0,0,1|1,0,0]=3 1710 B12R1.107 c1ccc(cc1)C(=O)C[N+](=O)[O-] TS11991 [0,1,0,0,0,1|1,0,1]=4 1711 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N TS11834 [0,1,0,0,0,1|1,0,1]=4 1712 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [0,1,0,0,0,1|0,0,0]=2 1713 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [0,1,0,0,0,1|0,0,0]=2 1714 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [0,1,0,0,0,1|0,0,0]=2 1715 B12R1.107 c1ccc(cc1)C(C[N+](=O)[O-])O TS43216 [0,1,0,0,0,1|1,0,1]=4 1716 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [0,1,0,0,0,1|0,0,0]=2 1717 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [0,1,0,0,0,1|0,0,0]=2 1718 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [0,1,0,0,0,1|0,0,0]=2 1719 B12R1.107 c1ccnc(c1)C(CC(=O)O)N TS43062 [0,1,0,0,0,1|1,0,0]=3 1720 B12R1.107 c1cnccc1C(CC(=O)O)N TS43077 [0,1,0,0,0,1|1,0,0]=3 1721 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [0,1,0,0,0,1|1,0,1]=4 1722 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.125 Cc1ccccc1C=CC(=O)Cl TS14696 [0,1,0,0,0,1|1,0,1]=4 1724 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [0,1,0,0,0,1|0,0,1]=3 1725 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [0,1,0,0,0,1|0,0,0]=2 1726 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [0,1,0,0,0,1|1,0,0]=3 1727 B12R1.125 Cc1ccccc1OCC(C)O TS12256 [0,1,0,0,0,1|1,0,1]=4 1728 B12R1.125 c1ccc(c(c1)C=CC(=O)Cl)Cl TS38031 [0,1,0,0,0,1|1,0,1]=4 1729 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [0,1,0,0,0,1|0,0,1]=3 1730 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [0,1,0,0,0,1|0,0,1]=3 1731 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [0,1,0,0,0,1|0,0,1]=3 1732 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [0,1,0,0,0,1|0,0,0]=2 1734 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [0,1,0,0,0,1|0,0,0]=2 1735 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [0,1,0,0,0,1|0,0,0]=2 1736 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [0,1,0,0,0,1|0,0,0]=2 1737 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [0,1,0,0,0,1|0,0,0]=2 1738 B12R1.125 c1ccc(c(c1)COC(=O)Cl)Cl TS19899 [0,1,0,0,0,1|1,0,0]=3 1739 B12R1.125 c1ccc(c(c1)F)SCC(=O)O TS15592 [0,1,0,0,0,1|0,0,0]=2 1740 B12R1.125 c1ccc(c(c1)NCC(=O)O)Cl TS93284 [0,1,0,0,0,1|0,0,0]=2 1741 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12658 [0,1,0,0,0,1|0,0,0]=2 1742 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12660 [0,1,0,0,0,1|0,0,0]=2 1743 B12R1.125 c1ccc(c(c1)O)OCC(=O)O TS44831 [0,1,0,0,0,1|0,0,0]=2 1744 B12R1.125 c1ccc(c(c1)OCC(=N)N)Cl TS49904 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl TS15513 [0,1,0,0,0,1|1,0,0]=3 1746 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl TS15709 [0,1,0,0,0,1|0,0,0]=2 1747 B12R1.226 Cc1cccc(c1)C=CC(=O)Cl TS14697 [0,1,0,0,0,1|1,0,1]=4 1748 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [0,1,0,0,0,1|0,0,1]=3 1749 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [0,1,0,0,0,1|0,0,0]=2 1750 B12R1.226 Cc1cccc(c1)OCC(=O)N TS12004 [0,1,0,0,0,1|1,0,0]=3 1751 B12R1.226 Cc1cccc(c1)OCC(C)O TS43103 [0,1,0,0,0,1|1,0,1]=4 1752 B12R1.226 Cc1ccnc(n1)SCC(=O)O TS15285 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [0,1,0,0,0,1|0,0,1]=3 1754 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [0,1,0,0,0,1|0,0,0]=2 1755 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [0,1,0,0,0,1|0,0,1]=3 1756 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)N TS15520 [0,1,0,0,0,1|1,0,0]=3 1757 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O TS00145 [0,1,0,0,0,1|0,0,0]=2 1758 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [0,1,0,0,0,1|0,0,1]=3 1759 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [0,1,0,0,0,1|0,0,0]=2 1760 B12R1.226 c1cc(cc(c1)F)OCC(=O)O TS07856 [0,1,0,0,0,1|0,0,0]=2 1761 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [0,1,0,0,0,1|0,0,0]=2 1762 B12R1.226 c1cc(cc(c1)I)CNC(=N)N TS80094 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [0,1,0,0,0,1|0,0,0]=2 1764 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [0,1,0,0,0,1|0,0,0]=2 1765 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [0,1,0,0,0,1|0,0,1]=3 1766 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [0,1,0,0,0,1|0,0,0]=2 1767 B12R1.226 c1cc(cc(c1)OCC(=O)O)N TS02664 [0,1,0,0,0,1|0,0,0]=2 1768 B12R1.891 CC(C)(CCc1ccccc1)O TS42782 [0,1,0,0,0,1|1,0,1]=4 1769 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl TS38724 [0,1,0,0,0,1|1,0,1]=4 1770 B12R1.891 c1ccnc(c1)CCS(=O)(=O)O TS15805 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.891 c1cnccc1CCS(=O)(=O)O TS50548 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,2,0,0,0,0|1,0,0]=3 1773 B12R1.4 CC(=O)Nc1ccc(cc1)C#N TS42159 [0,2,0,0,0,0|2,0,0]=4 1774 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,2,0,0,0,0|2,0,0]=4 1775 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.4 CC(=O)Nc1ccc(cc1)CCl TS48490 [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.4 CC(=O)Nc1ccc(cc1)CN TS02940 [0,2,0,0,0,0|2,0,0]=4 1778 B12R1.4 CC(=O)Nc1ccc(cc1)CO TS42884 [0,2,0,0,0,0|2,0,0]=4 1779 B12R1.4 CC(=O)Nc1ccc(cc1)NN TS19291 [0,2,0,0,0,0|2,0,0]=4 1780 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,2,0,0,0,0|2,0,0]=4 1783 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,2,0,0,0,0|1,0,0]=3 1786 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.4 COc1ccc(cc1)CC(=O)Cl TS48666 [0,2,0,0,0,0|1,0,0]=3 1788 B12R1.4 COc1ccc(cc1)CC(=O)N TS12026 [0,2,0,0,0,0|1,0,0]=3 1789 B12R1.4 COc1ccc(cc1)CC(=O)O TS12167 [0,2,0,0,0,0|0,0,0]=2 1790 B12R1.4 COc1ccc(cc1)CC(=S)N TS14830 [0,2,0,0,0,0|1,1,0]=4 1791 B12R1.4 COc1ccc(cc1)NC(=O)N TS12234 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.4 COc1ccc(cc1)OC(=O)Cl TS15706 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.4 CSc1ccc(cc1)CC(=O)O TS70786 [0,2,0,0,0,0|0,0,0]=2 1794 B12R1.4 c1cc(ccc1CC(=O)O)C#N TS03064 [0,2,0,0,0,0|0,0,0]=2 1795 B12R1.4 c1cc(ccc1CC(=O)O)CBr TS16900 [0,2,0,0,0,0|0,0,0]=2 1796 B12R1.4 c1cc(ccc1CC(=O)O)CCl TS15379 [0,2,0,0,0,0|0,0,0]=2 1797 B12R1.4 c1cc(ccc1CC(=O)O)CN TS12032 [0,2,0,0,0,0|0,0,0]=2 1798 B12R1.4 c1cc(ccc1CC(=O)O)CO TS12166 [0,2,0,0,0,0|0,0,0]=2 1799 B12R1.19 C=C(Cc1ccc(c(c1)Cl)F)Br TS27952 [0,2,0,0,0,0|2,0,0]=4 1800 B12R1.19 C=C(Cc1ccc(c(c1)F)F)Br TS53425 [0,2,0,0,0,0|2,0,0]=4 1801 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl TS19510 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br TS62637 [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F TS15871 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O TS15512 [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br TS53264 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F TS12965 [0,2,0,0,0,0|2,0,0]=4 1807 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl TS48677 [0,2,0,0,0,0|2,0,0]=4 1808 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [0,2,0,0,0,0|2,0,0]=4 1809 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [0,2,0,0,0,0|2,0,0]=4 1810 B12R1.19 Cc1cc(ccc1F)CC(=C)Br TS24668 [0,2,0,0,0,0|2,0,0]=4 1811 B12R1.19 Cc1cc(n[nH]c1=O)CC(=O)O TS91957 [0,2,0,0,0,0|2,0,0]=4 1812 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O TS15519 [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,2,0,0,0,0|2,0,0]=4 1814 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C TS48493 [0,2,0,0,0,0|2,0,0]=4 1815 B12R1.19 Cc1ccc(cc1Cl)NC(=O)N TS48676 [0,2,0,0,0,0|2,0,0]=4 1816 B12R1.19 Cc1ccc(cc1F)CC(=C)Br TS24669 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.19 Cc1ccc(cc1F)CC(=O)O TS65518 [0,2,0,0,0,0|0,0,0]=2 1818 B12R1.19 Cc1ccc(cc1N)NC(=O)C TS42769 [0,2,0,0,0,0|2,0,0]=4 1819 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [0,2,0,0,0,0|1,0,0]=3 1820 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [0,2,0,0,0,0|0,0,0]=2 1821 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [0,2,0,0,0,0|0,0,0]=2 1822 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [0,2,0,0,0,0|0,0,0]=2 1823 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [0,2,0,0,0,0|0,0,0]=2 1824 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [0,2,0,0,0,0|0,0,0]=2 1825 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [0,2,0,0,0,0|0,0,0]=2 1826 B12R1.19 c1cc(c(cc1CC(=O)O)F)F TS45416 [0,2,0,0,0,0|0,0,0]=2 1827 B12R1.19 c1cc(c(cc1CC(=O)O)F)O TS65509 [0,2,0,0,0,0|0,0,0]=2 1828 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [0,2,0,0,0,0|0,0,0]=2 1829 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl TS60194 [0,2,0,0,0,0|2,0,0]=4 1830 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,2,0,0,0,0|1,0,1]=4 1831 B12R1.20 CC(=O)N(C)c1ccc(cc1)N TS42768 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,2,0,0,0,0|0,0,0]=2 1833 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,2,0,0,0,0|0,0,0]=2 1834 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,2,0,0,0,0|0,0,1]=3 1835 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [0,2,0,0,0,0|0,0,0]=2 1836 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,2,0,0,0,0|0,0,0]=2 1837 B12R1.20 Cc1ccc(cc1)[C@H](C(=S)O)O TS54028 [0,2,0,0,0,0|0,1,0]=3 1838 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [0,2,0,0,0,0|0,0,2]=4 1839 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [0,2,0,0,0,0|0,0,0]=2 1840 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [0,2,0,0,0,0|0,0,0]=2 1841 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [0,2,0,0,0,0|0,0,0]=2 1842 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [0,2,0,0,0,0|0,0,0]=2 1843 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [0,2,0,0,0,0|0,0,0]=2 1844 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [0,2,0,0,0,0|0,0,0]=2 1845 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,2,0,0,0,0|0,0,0]=2 1846 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,2,0,0,0,0|0,0,0]=2 1847 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [0,2,0,0,0,0|0,0,0]=2 1848 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [0,2,0,0,0,0|0,0,0]=2 1849 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [0,2,0,0,0,0|0,0,0]=2 1850 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [0,2,0,0,0,0|0,0,0]=2 1851 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,2,0,0,0,0|0,0,0]=2 1852 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [0,2,0,0,0,0|0,0,0]=2 1853 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [0,2,0,0,0,0|0,0,0]=2 1854 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [0,2,0,0,0,0|0,0,0]=2 1855 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [0,2,0,0,0,0|0,0,0]=2 1856 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [0,2,0,0,0,0|0,0,0]=2 1857 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,2,0,0,0,0|0,0,0]=2 1858 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl TS14853 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.49 C=CC(=O)Oc1ccc(cc1)Cl TS48354 [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,2,0,0,0,0|2,0,0]=4 1864 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,2,0,0,0,0|0,0,0]=2 1865 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,2,0,0,0,0|0,0,0]=2 1866 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,2,0,0,0,0|0,0,0]=2 1867 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,2,0,0,0,0|0,0,0]=2 1868 B12R1.49 COC(=O)Cc1ncc(cn1)Br TS89042 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,2,0,0,0,0|0,0,0]=2 1870 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [0,2,0,0,0,0|2,0,0]=4 1872 B12R1.49 c1cc(ccc1CC(=NO)N)Br TS24664 [0,2,0,0,0,0|1,0,0]=3 1873 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.49 c1cc(ccc1CC(=O)NN)F TS12508 [0,2,0,0,0,0|1,0,0]=3 1875 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [0,2,0,0,0,0|1,0,0]=3 1876 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [0,2,0,0,0,0|1,0,1]=4 1877 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [0,2,0,0,0,0|1,0,1]=4 1878 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [0,2,0,0,0,0|1,0,1]=4 1879 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [0,2,0,0,0,0|1,0,1]=4 1880 B12R1.49 c1cc(ccc1NC(=O)CCl)Cl TS19677 [0,2,0,0,0,0|2,0,0]=4 1881 B12R1.49 c1cc(ccc1NC(=O)CCl)F TS15868 [0,2,0,0,0,0|2,0,0]=4 1882 B12R1.49 c1cc(ccc1NC(=O)CCl)I TS35822 [0,2,0,0,0,0|2,0,0]=4 1883 B12R1.49 c1cc(ccc1NC(=O)CCl)O TS15525 [0,2,0,0,0,0|2,0,0]=4 1884 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS23393 [0,2,0,0,0,0|2,0,0]=4 1885 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS48796 [0,2,0,0,0,0|2,0,0]=4 1886 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)O TS48689 [0,2,0,0,0,0|1,0,1]=4 1887 B12R1.106 CC(C)(Cc1ccc(cc1)F)O TS44882 [0,2,0,0,0,0|1,0,1]=4 1888 B12R1.106 Cc1ccc(cc1)CC(C)(C)O TS40916 [0,2,0,0,0,0|1,0,1]=4 1889 B12R1.106 Cc1ccc(cc1)CP(=O)(O)O TS48844 [0,2,0,0,0,0|1,0,0]=3 1890 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl TS38721 [0,2,0,0,0,0|1,0,1]=4 1891 B12R1.106 c1cc(ccc1CP(=O)(O)O)Br TS28132 [0,2,0,0,0,0|1,0,0]=3 1892 B12R1.106 c1cc(ccc1CP(=O)(O)O)N TS15756 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Br TS30718 [0,2,0,0,0,0|1,0,1]=4 1894 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Cl TS23960 [0,2,0,0,0,0|1,0,1]=4 1895 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)F TS60363 [0,2,0,0,0,0|1,0,1]=4 1896 B12R1.106 c1cc(ccc1N)OP(=O)(O)[O-] TS43945 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.106 c1cc(ccc1N)OS(=O)(=O)O TS20353 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,2,0,0,0,0|1,0,0]=3 1899 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,2,0,0,0,0|1,0,0]=3 1900 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,2,0,0,0,0|2,0,0]=4 1902 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,2,0,0,0,0|2,0,0]=4 1903 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,2,0,0,0,0|2,0,0]=4 1909 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,2,0,0,0,0|2,0,0]=4 1911 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,2,0,0,0,0|0,0,0]=2 1912 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,2,0,0,0,0|2,0,0]=4 1913 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,2,0,0,0,0|2,0,0]=4 1914 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,2,0,0,0,0|2,0,0]=4 1916 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,2,0,0,0,0|2,0,0]=4 1918 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.233 c1c(c(cnc1Cl)CC(=O)O)Cl TS20081 [0,2,0,0,0,0|1,0,0]=3 1920 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br TS25005 [0,2,0,0,0,0|1,0,0]=3 1921 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,2,0,0,0,0|0,0,0]=2 1922 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,2,0,0,0,0|0,0,0]=2 1923 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,2,0,0,0,0|1,0,0]=3 1924 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,2,0,0,0,0|0,0,0]=2 1925 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,2,0,0,0,0|2,0,0]=4 1926 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,2,0,0,0,0|0,0,0]=2 1927 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,2,0,0,0,0|0,0,0]=2 1928 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,2,0,0,0,0|0,0,0]=2 1929 B12R1.233 c1cc(c(cc1F)Cl)CC(=S)N TS38504 [0,2,0,0,0,0|1,1,0]=4 1930 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.233 c1cc(c(cc1F)F)CC(=N)N TS45102 [0,2,0,0,0,0|2,0,0]=4 1932 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,2,0,0,0,0|0,0,0]=2 1933 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,2,0,0,0,0|0,0,0]=2 1934 B12R1.34 CC(=NO)C(=O)c1ccccc1 TS42556 [0,2,0,0,0,0|1,0,1]=4 1935 B12R1.34 CN(c1ccccc1)C(=O)CCl TS48486 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.34 CN(c1ccccc1)C(=O)CN TS42762 [0,2,0,0,0,0|2,0,0]=4 1937 B12R1.34 COC(=O)C(=O)c1ccccc1 TS00234 [0,2,0,0,0,0|0,0,1]=3 1938 B12R1.34 COC(=O)C(c1ccccc1)Br TS52792 [0,2,0,0,0,0|0,0,0]=2 1939 B12R1.34 COC(=O)C(c1ccccc1)Cl TS15391 [0,2,0,0,0,0|0,0,0]=2 1940 B12R1.34 COC(=O)C(c1ccccc1)F TS44841 [0,2,0,0,0,0|0,0,0]=2 1941 B12R1.34 COC(=O)C(c1ccccc1)O TS12191 [0,2,0,0,0,0|0,0,0]=2 1942 B12R1.34 COC(=O)[C@@H](c1ccccc1)N TS19278 [0,2,0,0,0,0|0,0,0]=2 1943 B12R1.34 COC(=O)[C@@H](c1ccccc1)O TS12187 [0,2,0,0,0,0|0,0,0]=2 1944 B12R1.34 COC(=O)[C@H](c1ccccc1)N TS19277 [0,2,0,0,0,0|0,0,0]=2 1945 B12R1.34 COC(=O)[C@H](c1ccccc1)O TS43052 [0,2,0,0,0,0|0,0,0]=2 1946 B12R1.34 c1ccc(cc1)C(C(=O)NN)O TS43056 [0,2,0,0,0,0|1,0,0]=3 1947 B12R1.34 c1ccc(cc1)C(C(=O)NO)O TS43202 [0,2,0,0,0,0|0,0,0]=2 1948 B12R1.34 c1ccc(cc1)C(C(C=O)Br)Br TS35452 [0,2,0,0,0,0|1,0,1]=4 1949 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,2,0,0,0,0|0,0,0]=2 1950 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [0,2,0,0,0,0|0,0,0]=2 1951 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F TS12471 [0,2,0,0,0,0|0,0,1]=3 1952 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS09017 [0,2,0,0,0,0|0,0,0]=2 1953 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS93283 [0,2,0,0,0,0|0,0,0]=2 1954 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br TS24813 [0,2,0,0,0,0|0,0,0]=2 1955 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O TS12360 [0,2,0,0,0,0|0,0,0]=2 1956 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Br TS53123 [0,2,0,0,0,0|0,0,0]=2 1957 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl TS07850 [0,2,0,0,0,0|0,0,0]=2 1958 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F TS45081 [0,2,0,0,0,0|0,0,0]=2 1959 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O TS12355 [0,2,0,0,0,0|0,0,0]=2 1960 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl TS22968 [0,2,0,0,0,0|0,0,0]=2 1961 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Cl TS01411 [0,2,0,0,0,0|0,0,0]=2 1962 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O TS43197 [0,2,0,0,0,0|0,0,0]=2 1963 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl TS22962 [0,2,0,0,0,0|0,0,0]=2 1964 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,2,0,0,0,0|0,0,0]=2 1965 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [0,2,0,0,0,0|0,0,0]=2 1966 B12R1.225 Cc1cccc(c1)C(C(=O)O)O TS43039 [0,2,0,0,0,0|0,0,0]=2 1967 B12R1.225 Cc1cccc(n1)C(C(=O)O)N TS12217 [0,2,0,0,0,0|1,0,0]=3 1968 B12R1.225 Cc1cccc(n1)C(C(=O)O)O TS43205 [0,2,0,0,0,0|1,0,0]=3 1969 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N TS24822 [0,2,0,0,0,0|0,0,0]=2 1970 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)O TS53115 [0,2,0,0,0,0|0,0,0]=2 1971 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N TS33220 [0,2,0,0,0,0|0,0,0]=2 1972 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O TS15708 [0,2,0,0,0,0|0,0,0]=2 1973 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)O TS15715 [0,2,0,0,0,0|0,0,0]=2 1974 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)N TS15506 [0,2,0,0,0,0|0,0,0]=2 1975 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N TS12657 [0,2,0,0,0,0|0,0,0]=2 1976 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N TS12662 [0,2,0,0,0,0|0,0,0]=2 1977 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O TS44825 [0,2,0,0,0,0|0,0,0]=2 1978 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N TS43196 [0,2,0,0,0,0|0,0,0]=2 1979 B12R1.253 CC(C)(c1ccccc1)C(=O)O TS01108 [0,2,0,0,0,0|0,0,0]=2 1980 B12R1.253 CC(c1ccccc1)(C(=O)O)N TS12005 [0,2,0,0,0,0|0,0,0]=2 1981 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O TS43029 [0,2,0,0,0,0|0,0,0]=2 1982 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N TS12025 [0,2,0,0,0,0|0,0,0]=2 1983 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O TS12161 [0,2,0,0,0,0|0,0,0]=2 1984 B12R1.253 c1ccc(cc1)C(C(=O)N)(F)F TS12964 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.253 c1ccnc(c1)C(C(=O)O)(F)F TS85741 [0,2,0,0,0,0|1,0,0]=3 1986 B12R1.478 CC(=O)C(C#N)c1ccccc1 TS65634 [0,2,0,0,0,0|1,0,0]=3 1987 B12R1.478 CCC(c1ccccc1)C(=O)Cl TS48366 [0,2,0,0,0,0|1,0,0]=3 1988 B12R1.478 CCC(c1ccccc1)C(=O)N TS42598 [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.478 CCC(c1ccccc1)C(=O)O TS42761 [0,2,0,0,0,0|0,0,0]=2 1990 B12R1.478 CCN(c1ccccc1)C(=O)C TS42596 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O TS42891 [0,2,0,0,0,0|0,0,0]=2 1992 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,2,0,0,0,0|0,0,0]=2 1993 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,2,0,0,0,0|0,0,1]=3 1994 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,2,0,0,0,0|0,0,0]=2 1995 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,2,0,0,0,0|0,0,0]=2 1996 B12R1.478 c1ccc(cc1)C(=NO)C(=O)O TS11996 [0,2,0,0,0,0|0,0,1]=3 1997 B12R1.478 c1ccc(cc1)C(CO)C(=O)N TS34758 [0,2,0,0,0,0|1,0,0]=3 1998 B12R1.478 c1ccc(cc1)C(CO)C(=O)O TS12203 [0,2,0,0,0,0|0,0,0]=2 1999 B12R1.564 c1ccnc(c1)C(O)S(=O)(=O)O TS50894 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,2,0,0,0,0|0,0,0]=2 2001 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [0,2,0,0,0,0|1,0,0]=3 2005 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,2,0,0,0,0|0,0,0]=2 2006 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [0,2,0,0,0,0|1,0,0]=3 2007 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,2,0,0,0,0|1,0,0]=3 2008 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [0,2,0,0,0,0|1,0,0]=3 2009 B12R1.32 CCOC(=O)Cc1ncccn1 TS86697 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [0,2,0,0,0,0|1,0,0]=3 2011 B12R1.32 CN(CCO)Cc1ccccc1 TS42946 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,2,0,0,0,0|1,0,0]=3 2013 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,2,0,0,0,0|1,0,1]=4 2014 B12R1.32 c1ccc(cc1)CC(=O)CC#N TS11139 [0,2,0,0,0,0|1,0,0]=3 2015 B12R1.32 c1ccc(cc1)NC(=O)C=NO TS11840 [0,2,0,0,0,0|1,0,0]=3 2016 B12R1.32 c1ccc(cc1)NC(=O)CC#N TS11249 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.50 CCC(=O)Nc1cccc(c1)N TS11901 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.50 COC(=O)Cc1cc(ncn1)Cl TS15722 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,2,0,0,0,0|0,0,0]=2 2022 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,2,0,0,0,0|0,0,0]=2 2023 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,2,0,0,0,0|0,0,0]=2 2024 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,2,0,0,0,0|0,0,0]=2 2025 B12R1.50 COC(=O)Nc1cc(ccn1)Cl TS15725 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.50 COC(=O)Nc1cccc(c1)O TS12373 [0,2,0,0,0,0|1,0,0]=3 2027 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,2,0,0,0,0|0,0,0]=2 2028 B12R1.50 Cc1cccc(c1)OC(=O)NC TS12018 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.50 c1cc(cc(c1)Cl)CC(=O)NN TS48671 [0,2,0,0,0,0|1,0,0]=3 2030 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CBr TS62640 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CCl TS19681 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.50 c1cc(cc(c1)Cl)NC(=O)NN TS23392 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.50 c1cc(cc(c1)F)NC(=O)CCl TS15867 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.50 c1cc(cc(c1)F)NC(=O)NN TS44985 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.50 c1cc(cc(c1)O)NC(=O)CBr TS24816 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.50 c1cc(cc(c1)O)NC(=O)CCl TS15515 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.118 COC(Cc1ccccc1)OC TS12247 [0,2,0,0,0,0|0,0,2]=4 2038 B12R1.118 CO[SiH](Cc1ccccc1)C=C TS14283 [0,2,0,0,0,0|1,1,0]=4 2039 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [0,2,0,0,0,0|1,0,1]=4 2040 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.371 COC(=O)Cc1c(cccn1)Br TS88741 [0,2,0,0,0,0|1,0,0]=3 2042 B12R1.371 COC(=O)Cc1ccccc1Br TS52795 [0,2,0,0,0,0|0,0,0]=2 2043 B12R1.371 COC(=O)Cc1ccccc1F TS02004 [0,2,0,0,0,0|0,0,0]=2 2044 B12R1.371 COC(=O)Cc1ccccc1N TS38170 [0,2,0,0,0,0|0,0,0]=2 2045 B12R1.371 COC(=O)Cc1ccccc1N TS39893 [0,2,0,0,0,0|0,0,0]=2 2046 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,2,0,0,0,0|0,0,0]=2 2047 B12R1.371 Cc1ccccc1CC(=O)OC TS11862 [0,2,0,0,0,0|0,0,0]=2 2048 B12R1.371 Cc1ccccc1NC(=O)CBr TS24455 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.371 c1ccc(c(c1)CC(=O)NN)Cl TS48674 [0,2,0,0,0,0|1,0,0]=3 2050 B12R1.371 c1ccc(c(c1)NC(=O)CBr)Cl TS62636 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.371 c1ccc(c(c1)NC(=O)CCl)Cl TS19680 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.371 c1ccc(c(c1)NC(=O)CCl)F TS15865 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.371 c1ccc(c(c1)NC(=O)NN)Cl TS48797 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.75 CC(=O)Cc1ccccc1OC TS11859 [0,2,0,0,0,0|1,0,0]=3 2055 B12R1.75 CC(=O)Oc1ccccc1C#N TS11378 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.75 CC(=O)Oc1ccccc1CCl TS48665 [0,2,0,0,0,0|2,0,0]=4 2057 B12R1.75 CC(=O)Oc1ccccc1OC TS12204 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.75 CCc1ccccc1OC(=O)C TS11875 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.75 COc1ccccc1CC(=O)N TS12009 [0,2,0,0,0,0|1,0,0]=3 2060 B12R1.75 COc1ccccc1CC(=O)O TS02019 [0,2,0,0,0,0|0,0,0]=2 2061 B12R1.75 COc1ccccc1OC(=O)O TS74445 [0,2,0,0,0,0|1,0,0]=3 2062 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N TS02151 [0,2,0,0,0,0|0,0,0]=2 2063 B12R1.75 c1ccc(c(c1)CC(=O)O)CCl TS00231 [0,2,0,0,0,0|0,0,0]=2 2064 B12R1.75 c1ccc(c(c1)CC(=O)O)CN TS08245 [0,2,0,0,0,0|0,0,0]=2 2065 B12R1.75 c1ccc(c(c1)CC(=O)O)CN TS08960 [0,2,0,0,0,0|0,0,0]=2 2066 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl TS19676 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.127 CC(=O)Nc1cc(ccc1F)F TS12967 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl TS07914 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.127 Cc1ccc(c(c1)CC(=O)C)C TS42485 [0,2,0,0,0,0|1,0,0]=3 2070 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O TS65018 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.127 Cc1ccc(c(c1)OC(=O)C)C TS11870 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.127 Cc1ccc(cc1CC(=O)O)F TS44845 [0,2,0,0,0,0|0,0,0]=2 2073 B12R1.127 Cc1ccc(cc1NC(=O)C)Cl TS48487 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.127 Cc1ccc(cc1NC(=O)C)N TS39253 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.127 c1cc(=O)n([nH]c1=O)CC(=O)O TS12760 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F TS53408 [0,2,0,0,0,0|0,0,0]=2 2077 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)Br TS55122 [0,2,0,0,0,0|0,0,0]=2 2078 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F TS16077 [0,2,0,0,0,0|0,0,0]=2 2079 B12R1.127 c1cc(c(cc1F)CC(=O)O)Br TS53409 [0,2,0,0,0,0|0,0,0]=2 2080 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl TS09285 [0,2,0,0,0,0|0,0,0]=2 2081 B12R1.127 c1cc(c(cc1F)CC(=O)O)F TS45421 [0,2,0,0,0,0|0,0,0]=2 2082 B12R1.127 c1cc(c(cc1O)CC(=O)O)O TS12477 [0,2,0,0,0,0|0,0,0]=2 2083 B12R1.151 Cc1ccccc1CS(=O)(=O)Cl TS38713 [0,2,0,0,0,0|1,0,1]=4 2084 B12R1.151 c1ccc(c(c1)CS(=O)(=O)Cl)Br TS30715 [0,2,0,0,0,0|1,0,1]=4 2085 B12R1.151 c1ccc(c(c1)CS(=O)(=O)Cl)Cl TS23961 [0,2,0,0,0,0|1,0,1]=4 2086 B12R1.151 c1ccc(c(c1)CS(=O)(=O)Cl)F TS08943 [0,2,0,0,0,0|1,0,1]=4 2087 B12R1.224 Cc1c(cccc1Br)NC(=O)C TS24464 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.224 Cc1c(cccc1Cl)NC(=O)C TS48488 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.224 Cc1cccc(c1C)CC(=O)O TS65317 [0,2,0,0,0,0|0,0,0]=2 2090 B12R1.224 Cc1cccc(c1C)NC(=O)C TS11715 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O TS19896 [0,2,0,0,0,0|0,0,0]=2 2092 B12R1.224 c1cc(c(c(c1)Cl)Cl)NC(=O)N TS38738 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.224 c1cc(c(c(c1)Cl)F)CC(=O)O TS16083 [0,2,0,0,0,0|0,0,0]=2 2094 B12R1.224 c1cc(c(c(c1)F)F)CC(=O)O TS00560 [0,2,0,0,0,0|0,0,0]=2 2095 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl TS19508 [0,2,0,0,0,0|1,0,0]=3 2096 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F TS48996 [0,2,0,0,0,0|1,0,0]=3 2097 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl TS19679 [0,2,0,0,0,0|2,0,0]=4 2098 B12R1.1009 CC(=O)Nc1c(cccc1F)F TS12966 [0,2,0,0,0,0|2,0,0]=4 2099 B12R1.1009 CC(=O)Oc1c(cccc1Cl)Cl TS19900 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.1009 Cc1cccc(c1CC(=N)N)C TS11608 [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.1009 Cc1cccc(c1NC(=O)C)C TS11722 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.1009 Cc1cccc(c1NC(=O)C)Cl TS48482 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.1009 c1cc(c(c(c1)Cl)CC(=N)N)Cl TS26409 [0,2,0,0,0,0|2,0,0]=4 2104 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)N)Cl TS19671 [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl TS47297 [0,2,0,0,0,0|0,0,0]=2 2106 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F TS09637 [0,2,0,0,0,0|0,0,0]=2 2107 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)F TS59933 [0,2,0,0,0,0|0,0,0]=2 2108 B12R1.101 C=C(Cc1cc(cc(c1)Cl)F)Br TS27951 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.101 C=C(Cc1cc(cc(c1)F)F)Br TS53423 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.101 Cc1cc(cc(c1)CC(=N)N)C TS42492 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C TS11844 [0,2,0,0,0,0|0,0,0]=2 2112 B12R1.101 c1c(cc(cc1Br)Br)CC(=O)O TS58431 [0,2,0,0,0,0|0,0,0]=2 2113 B12R1.101 c1c(cc(cc1Cl)Cl)NC(=O)N TS38747 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O TS16082 [0,2,0,0,0,0|0,0,0]=2 2115 B12R1.101 c1c(cc(cc1F)F)CC(=O)Cl TS17186 [0,2,0,0,0,0|1,0,0]=3 2116 B12R1.101 c1c(cc(cc1F)F)CC(=O)O TS02588 [0,2,0,0,0,0|0,0,0]=2 2117 B12R1.101 c1c(nc(nc1O)O)CC(=O)O TS12756 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.119 Cc1cccc(c1)CP(=O)(O)O TS48845 [0,2,0,0,0,0|1,0,0]=3 2119 B12R1.119 Cc1cccc(c1)CS(=O)(=O)Cl TS38720 [0,2,0,0,0,0|1,0,1]=4 2120 B12R1.119 c1cc(cc(c1)Br)CS(=O)(=O)Cl TS09490 [0,2,0,0,0,0|1,0,1]=4 2121 B12R1.119 c1cc(cc(c1)Cl)CS(=O)(=O)Cl TS23965 [0,2,0,0,0,0|1,0,1]=4 2122 B12R1.119 c1cc(cc(c1)F)CS(=O)(=O)Cl TS60308 [0,2,0,0,0,0|1,0,1]=4 2123 B12R1.119 c1cc(cc(c1)OS(=O)(=O)O)N TS76833 [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.438 CC(=O)Cc1cccc(c1)OC TS11855 [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.438 CC(=O)Nc1cccc(c1)C#C TS11138 [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.438 CC(=O)Nc1cccc(c1)OC TS12011 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.438 CC(=O)Nc1cccc(c1)SC TS14829 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.438 CC(=O)Oc1cccc(c1)C=O TS02614 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.438 CC(=O)Oc1cccc(c1)OC TS12201 [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.438 COc1cccc(c1)CC(=N)N TS42767 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.438 COc1cccc(c1)CC(=O)Cl TS48662 [0,2,0,0,0,0|1,0,0]=3 2132 B12R1.438 COc1cccc(c1)CC(=O)N TS42908 [0,2,0,0,0,0|1,0,0]=3 2133 B12R1.438 COc1cccc(c1)CC(=O)O TS02823 [0,2,0,0,0,0|0,0,0]=2 2134 B12R1.438 COc1cccc(c1)NC(=O)N TS12222 [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.438 c1cc(cc(c1)C#N)CC(=O)O TS11383 [0,2,0,0,0,0|0,0,0]=2 2136 B12R1.438 c1cc(cc(c1)CCl)CC(=O)O TS15375 [0,2,0,0,0,0|0,0,0]=2 2137 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [0,0,1,1,0,0|1,0,1]=4 2138 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [0,0,1,1,0,0|1,0,1]=4 2139 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [0,0,1,1,0,0|1,0,1]=4 2140 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [0,0,1,1,0,0|1,0,1]=4 2141 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,1,1,0,0|1,0,1]=4 2142 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [0,0,1,1,0,0|1,0,1]=4 2143 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [0,0,1,1,0,0|1,0,1]=4 2144 B10R1.66 c1cocc1C=CC(=O)O TS06234 [0,0,1,1,0,0|1,0,1]=4 2145 B10R1.66 c1cscc1C=CC(=O)O TS41388 [0,0,1,1,0,0|1,0,1]=4 2146 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|1,0,1]=4 2147 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|0,0,1]=3 2148 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|0,0,1]=3 2149 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|0,0,1]=3 2150 B10R2.7 B1Oc2ccccc2O1 TS39809 [1,0,0,1,0,0|2,0,0]=4 2151 B10R2.7 c1cc2c(cco2)nc1 TS89676 [1,0,0,1,0,0|1,0,1]=4 2152 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,0]=3 2153 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,0]=3 2154 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,1]=4 2155 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|1,0,1]=4 2156 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|0,0,1]=3 2157 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|2,0,0]=4 2158 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 2159 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|1,0,1]=4 2160 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,1,0,0|2,0,0]=4 2161 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|1,0,1]=4 2162 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,1,0,0|0,1,1]=4 2163 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|0,0,1]=3 2164 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,1,0,0|0,1,1]=4 2165 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|1,0,1]=4 2166 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,1,0,0|1,0,0]=3 2167 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [1,0,0,1,0,0|1,1,0]=4 2168 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|0,0,0]=2 2169 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,1]=4 2170 B10R2.2 c1csc2c1NC(=O)C2 TS60409 [0,0,0,1,1,0|2,0,0]=4 2171 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,0,0,1,0,1|1,0,0]=3 2172 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,0,0,1,0,1|1,0,0]=3 2173 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,0,0,1,0,1|1,0,1]=4 2174 B12R2.24 C1CN2C=CC=CC2=NC1=O TS07439 [0,0,0,1,0,1|2,0,0]=4 2175 B12R2.24 c1cc2c(nc1)NC(=O)CC2 TS40632 [0,0,0,1,0,1|2,0,0]=4 2176 B12R2.24 c1cc2c(nc1)NC(=O)CO2 TS46411 [0,0,0,1,0,1|2,0,0]=4 2177 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,1,0,1|1,0,0]=3 2178 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,1,0,1|1,0,0]=3 2179 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,1|1,0,0]=3 2180 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,1|1,0,0]=3 2181 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [0,0,0,1,0,1|2,0,0]=4 2182 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,1|1,0,0]=3 2183 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,1,0,1|1,0,0]=3 2184 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,1,0,1|0,0,0]=2 2185 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,1|1,0,1]=4 2186 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,0,0,1,0,1|1,0,0]=3 2187 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [0,0,0,1,0,1|1,0,0]=3 2188 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,0,0,1,0,1|1,0,0]=3 2189 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [0,0,0,1,0,1|1,0,1]=4 2190 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [0,0,0,1,0,1|1,0,1]=4 2191 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [0,0,0,1,0,1|0,0,1]=3 2192 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [0,0,0,1,0,1|1,0,1]=4 2193 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [0,0,0,1,0,1|1,0,1]=4 2194 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [0,0,0,1,0,1|1,0,1]=4 2195 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [0,0,0,1,0,1|1,0,1]=4 2196 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [0,0,0,1,0,1|1,0,1]=4 2197 B12R2.2057 c1ccc(cc1)OCC2CO2 TS01628 [0,0,0,1,0,1|1,0,1]=4 2198 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 TS40866 [0,0,0,1,0,1|1,0,1]=4 2199 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 TS40857 [0,0,0,1,0,1|1,0,1]=4 2200 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [0,0,0,1,0,1|0,0,0]=2 2201 B12R2.606 Cc1cc2cc(ccc2o1)I TS68076 [0,1,0,1,0,0|1,0,1]=4 2202 B12R2.606 Cc1cc2cc(ccc2o1)N TS07331 [0,1,0,1,0,0|1,0,1]=4 2203 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [0,1,0,1,0,0|2,0,0]=4 2204 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,1,0,1,0,0|1,0,0]=3 2205 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,1,0,1,0,0|2,0,0]=4 2206 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,1,0,1,0,0|1,1,0]=4 2207 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 TS42926 [0,1,0,1,0,0|1,1,0]=4 2208 B12R2.606 Cc1nc2cc(ccc2o1)Cl TS43275 [0,1,0,1,0,0|2,0,0]=4 2209 B12R2.606 Cc1nc2cc(ccc2o1)N TS40623 [0,1,0,1,0,0|2,0,0]=4 2210 B12R2.606 Cc1nc2cc(ccc2o1)O TS40718 [0,1,0,1,0,0|2,0,0]=4 2211 B12R2.606 Cc1nc2ccc(cc2o1)Cl TS43270 [0,1,0,1,0,0|2,0,0]=4 2212 B12R2.606 Cc1nc2ccc(cc2o1)N TS55441 [0,1,0,1,0,0|2,0,0]=4 2213 B12R2.606 c1c(cnc2c1CC(=O)N2)Br TS03246 [0,1,0,1,0,0|2,0,0]=4 2214 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl TS90494 [0,1,0,1,0,0|2,0,0]=4 2215 B12R2.606 c1c(cnc2c1CC(=O)N2)F TS90496 [0,1,0,1,0,0|2,0,0]=4 2216 B12R2.606 c1c(cnc2c1NC(=O)C2)Br TS89000 [0,1,0,1,0,0|2,0,0]=4 2217 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl TS88444 [0,1,0,1,0,0|2,0,0]=4 2218 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Br TS22928 [0,1,0,1,0,0|2,0,0]=4 2219 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Cl TS45224 [0,1,0,1,0,0|2,0,0]=4 2220 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 TS90064 [0,1,0,1,0,0|2,0,0]=4 2221 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 TS87018 [0,1,0,1,0,0|2,0,0]=4 2222 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 TS90894 [0,1,0,1,0,0|2,0,0]=4 2223 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl TS89332 [0,1,0,1,0,0|2,0,0]=4 2224 B12R2.606 c1cc(nc2c1NC(=O)C2)Br TS85624 [0,1,0,1,0,0|2,0,0]=4 2225 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl TS44941 [0,1,0,1,0,0|2,0,0]=4 2226 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,1,0,1,0,0|1,0,0]=3 2227 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,1,0,1,0,0|1,0,0]=3 2228 B12R2.606 c1cc2c(cc1Br)CC(C2)O TS59904 [0,1,0,1,0,0|1,0,1]=4 2229 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [0,1,0,1,0,0|1,0,0]=3 2230 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,1,0,1,0,0|2,0,0]=4 2231 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [0,1,0,1,0,0|1,0,0]=3 2232 B12R2.606 c1cc2c(cc1Br)nc(o2)N TS44292 [0,1,0,1,0,0|2,0,0]=4 2233 B12R2.606 c1cc2c(cc1Br)nc(o2)S TS24830 [0,1,0,1,0,0|1,1,0]=4 2234 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,1,0,1,0,0|1,0,0]=3 2235 B12R2.606 c1cc2c(cc1Br)oc(=S)[nH]2 TS33008 [0,1,0,1,0,0|1,1,0]=4 2236 B12R2.606 c1cc2c(cc1Br)oc(n2)N TS00795 [0,1,0,1,0,0|2,0,0]=4 2237 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,1,0,1,0,0|1,1,0]=4 2238 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,1,0,1,0,0|1,0,0]=3 2239 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [0,1,0,1,0,0|1,0,0]=3 2240 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [0,1,0,1,0,0|1,0,0]=3 2241 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [0,1,0,1,0,0|1,1,0]=4 2242 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl TS47259 [0,1,0,1,0,0|2,0,0]=4 2243 B12R2.606 c1cc2c(cc1Cl)nc(o2)N TS44943 [0,1,0,1,0,0|2,0,0]=4 2244 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [0,1,0,1,0,0|1,0,0]=3 2245 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl TS47299 [0,1,0,1,0,0|2,0,0]=4 2246 B12R2.606 c1cc2c(cc1Cl)oc(n2)N TS44940 [0,1,0,1,0,0|2,0,0]=4 2247 B12R2.606 c1cc2c(cc1Cl)oc(n2)S TS48798 [0,1,0,1,0,0|1,1,0]=4 2248 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [0,1,0,1,0,0|1,1,0]=4 2249 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,1,0,1,0,0|1,0,0]=3 2250 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,1,0,1,0,0|1,0,0]=3 2251 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [0,1,0,1,0,0|1,0,0]=3 2252 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [0,1,0,1,0,0|2,0,0]=4 2253 B12R2.606 c1cc2c(cc1F)nc(o2)N TS41096 [0,1,0,1,0,0|2,0,0]=4 2254 B12R2.606 c1cc2c(cc1F)nc(o2)S TS44993 [0,1,0,1,0,0|1,1,0]=4 2255 B12R2.606 c1cc2c(cc1F)sc(=O)[nH]2 TS01225 [0,1,0,1,0,0|1,1,0]=4 2256 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [0,1,0,1,0,0|2,0,0]=4 2257 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,1,0,1,0,0|1,0,0]=3 2258 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [0,1,0,1,0,0|1,0,0]=3 2259 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [0,1,0,1,0,0|2,0,0]=4 2260 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 TS00366 [0,1,0,1,0,0|1,0,0]=3 2261 B12R2.606 c1cc2c(cc1N)oc(n2)S TS43096 [0,1,0,1,0,0|1,1,0]=4 2262 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,1,0,1,0,0|1,0,0]=3 2263 B12R2.606 c1cc2c(cc1O)CC(=O)O2 TS07646 [0,1,0,1,0,0|0,0,0]=2 2264 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [0,1,0,1,0,0|1,0,0]=3 2265 B12R2.606 c1cc2c(cc1O)oc(=O)[nH]2 TS10001 [0,1,0,1,0,0|1,0,0]=3 2266 B12R2.606 c1cc2c(cc1O)oc(=O)s2 TS12513 [0,1,0,1,0,0|1,0,0]=3 2267 B12R2.606 c1cc2c(cc1O)sc(=O)o2 TS12515 [0,1,0,1,0,0|1,0,0]=3 2268 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,1,0,1,0,0|1,0,1]=4 2269 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,1,0,1,0,0|1,0,0]=3 2270 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,1,0,1,0,0|1,0,0]=3 2271 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,1,0,1,0,0|1,0,1]=4 2272 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,1,0,1,0,0|1,0,1]=4 2273 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,1,0,1,0,0|1,0,0]=3 2274 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,1,0,1,0,0|1,1,0]=4 2275 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,1,0,1,0,0|1,1,0]=4 2276 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,1,0,1,0,0|1,0,1]=4 2277 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,1,0,1,0,0|1,0,1]=4 2278 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,1,0,1,0,0|1,0,0]=3 2279 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,1,0,1,0,0|0,0,0]=2 2280 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,1,0,1,0,0|0,0,1]=3 2281 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [0,1,0,1,0,0|1,0,1]=4 2282 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [0,1,0,1,0,0|1,0,1]=4 2283 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,1,0,1,0,0|1,0,1]=4 2284 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,1,0,1,0,0|1,0,1]=4 2285 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,1,0,1,0,0|1,0,1]=4 2286 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,1,0,1,0,0|1,0,1]=4 2287 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,1,0,1,0,0|0,0,2]=4 2288 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,1,0,1,0,0|1,0,1]=4 2289 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,1,0,1,0,0|1,0,1]=4 2290 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,1,0,1,0,0|1,0,1]=4 2291 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,1,0,1,0,0|1,0,1]=4 2292 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,1,0,1,0,0|1,0,1]=4 2293 B12R2.27 c1ccc(cc1)[C@@H]2[C@H](O2)CO TS09858 [0,1,0,1,0,0|0,0,2]=4 2294 B12R2.27 c1ccc(cc1)[C@H]2[C@@H](O2)CO TS40848 [0,1,0,1,0,0|0,0,2]=4 2295 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,1,0,1,0,0|2,0,0]=4 2296 B12R2.32 CCc1cc2ccccc2o1 TS07223 [0,1,0,1,0,0|1,0,1]=4 2297 B12R2.32 CCc1nc2ccccc2o1 TS40537 [0,1,0,1,0,0|2,0,0]=4 2298 B12R2.32 CSc1nc2ccccc2o1 TS42921 [0,1,0,1,0,0|1,1,0]=4 2299 B12R2.32 c1ccc2c(c1)CC(=NO)C2 TS07338 [0,1,0,1,0,0|1,0,0]=3 2300 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,1,0,1,0,0|1,0,1]=4 2301 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,1,0,1,0,0|1,0,1]=4 2302 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,1,0,1,0,0|1,0,1]=4 2303 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O TS46946 [0,1,0,1,0,0|2,0,0]=4 2304 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO TS77182 [0,1,0,1,0,0|2,0,0]=4 2305 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [0,1,0,1,0,0|1,0,1]=4 2306 B12R2.32 c1ccc2c(c1)cc(o2)C#N TS00399 [0,1,0,1,0,0|1,0,1]=4 2307 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [0,1,0,1,0,0|0,0,1]=3 2308 B12R2.32 c1ccc2c(c1)cc(o2)CO TS07422 [0,1,0,1,0,0|0,0,2]=4 2309 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [0,1,0,1,0,0|0,1,1]=4 2310 B12R2.32 c1ccc2c(c1)cc(s2)CO TS11913 [0,1,0,1,0,0|0,1,1]=4 2311 B12R2.32 c1ccc2c(c1)nc(o2)C=O TS07300 [0,1,0,1,0,0|1,0,0]=3 2312 B12R2.32 c1ccc2c(c1)nc(o2)CCl TS43272 [0,1,0,1,0,0|2,0,0]=4 2313 B12R2.32 c1ccc2c(c1)nc(o2)CN TS55755 [0,1,0,1,0,0|2,0,0]=4 2314 B12R2.32 c1ccc2c(c1)nc(o2)NN TS07555 [0,1,0,1,0,0|2,0,0]=4 2315 B12R2.32 c1ccc2c(c1)nc(s2)C=O TS00363 [0,1,0,1,0,0|1,1,0]=4 2316 B12R2.32 c1ccc2c(c1)nc(s2)CO TS42923 [0,1,0,1,0,0|1,1,0]=4 2317 B12R2.95 c1ccc2c(c1)OP(=O)(O2)Cl TS17181 [0,1,0,1,0,0|2,0,0]=4 2318 B12R2.202 Cc1cccc2c1nc(s2)O TS42916 [0,1,0,1,0,0|1,1,0]=4 2319 B12R2.202 c1cc(c2c(c1)sc(=O)[nH]2)F TS45001 [0,1,0,1,0,0|1,1,0]=4 2320 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 TS21068 [0,1,0,1,0,0|1,0,0]=3 2321 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 TS70998 [0,1,0,1,0,0|1,0,0]=3 2322 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 TS21232 [0,1,0,1,0,0|1,0,0]=3 2323 B12R2.202 c1cc2c(c(c1)Br)[nH]c(=O)s2 TS09581 [0,1,0,1,0,0|1,1,0]=4 2324 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)C2 TS12307 [0,1,0,1,0,0|1,0,0]=3 2325 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 TS60055 [0,1,0,1,0,0|1,0,0]=3 2326 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 TS40977 [0,1,0,1,0,0|1,0,0]=3 2327 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 TS40986 [0,1,0,1,0,0|1,0,0]=3 2328 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 TS90440 [0,1,0,1,0,0|2,0,0]=4 2329 B12R2.202 c1cnc2c(c1F)CC(=O)N2 TS85764 [0,1,0,1,0,0|2,0,0]=4 2330 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|1,0,1]=4 2331 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,1,0|1,0,1]=4 2332 B8R1.8 c1cc(sc1)CCO TS65661 [1,0,0,0,1,0|1,0,1]=4 2333 B8R1.8 c1ccn(c1)CCO TS31872 [1,0,0,0,1,0|1,0,1]=4 2334 B8R1.8 c1cscc1CCO TS01729 [1,0,0,0,1,0|1,0,1]=4 2335 B8R1.8 c1cscc1CCO TS37040 [1,0,0,0,1,0|1,0,1]=4 2336 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,0,0,0,2,0|1,0,1]=4 2337 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,0,0,0,2,0|2,0,0]=4 2338 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,0,0,0,2,0|2,0,0]=4 2339 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,2,0|2,0,0]=4 2340 B8R1.7 CC(=O)c1cccs1 TS08262 [0,0,0,0,2,0|2,0,0]=4 2341 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,0,0,0,2,0|2,0,0]=4 2342 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [0,0,0,0,2,0|2,0,0]=4 2343 B8R1.7 c1c(con1)C(=O)O TS56204 [0,0,0,0,2,0|2,0,0]=4 2344 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [0,0,0,0,2,0|2,0,0]=4 2345 B8R1.7 c1c(nco1)C(=O)O TS00378 [0,0,0,0,2,0|2,0,0]=4 2346 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,0,0,0,2,0|2,0,0]=4 2347 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [0,0,0,0,2,0|2,0,0]=4 2348 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,0,0,0,2,0|2,0,0]=4 2349 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,0,0,0,2,0|1,0,0]=3 2350 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,0,0,0,2,0|2,0,0]=4 2351 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,0,0,0,2,0|2,0,0]=4 2352 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,0,0,0,2,0|1,0,0]=3 2353 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,0,0,0,2,0|2,0,0]=4 2354 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,0,0,0,2,0|2,0,0]=4 2355 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,0,0,0,2,0|1,0,0]=3 2356 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,0,0,0,2,0|1,0,1]=4 2357 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,0,0,0,2,0|1,0,1]=4 2358 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [0,0,0,0,2,0|0,0,1]=3 2359 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [0,0,0,0,2,0|2,0,0]=4 2360 B8R1.7 c1cnsc1C(=O)O TS05447 [0,0,0,0,2,0|2,0,0]=4 2361 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,0,0,0,2,0|2,0,0]=4 2362 B8R1.7 c1cocc1C(=O)Cl TS36565 [0,0,0,0,2,0|2,0,0]=4 2363 B8R1.7 c1cocc1C(=O)O TS02783 [0,0,0,0,2,0|1,0,0]=3 2364 B8R1.7 c1cocc1C(=O)O TS13775 [0,0,0,0,2,0|1,0,0]=3 2365 B8R1.7 c1conc1C(=O)O TS00353 [0,0,0,0,2,0|2,0,0]=4 2366 B8R1.7 c1csc(n1)C(=O)O TS05448 [0,0,0,0,2,0|2,0,0]=4 2367 B8R1.7 c1csc(n1)C(=O)O TS85376 [0,0,0,0,2,0|2,0,0]=4 2368 B8R1.7 c1cscc1C(=O)Cl TS22828 [0,0,0,0,2,0|2,0,0]=4 2369 B8R1.7 c1cscc1C(=O)O TS59444 [0,0,0,0,2,0|1,0,0]=3 2370 B8R1.7 c1csnc1C(=O)O TS91622 [0,0,0,0,2,0|2,0,0]=4 2371 B12R1.252 CC(=O)C=NNc1ccccc1 TS11572 [0,0,0,0,0,2|1,0,1]=4 2372 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [0,0,0,0,0,2|1,0,0]=3 2373 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [0,0,0,0,0,2|1,0,0]=3 2374 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [0,0,0,0,0,2|1,0,0]=3 2375 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [0,0,0,0,0,2|1,0,1]=4 2376 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [0,0,0,0,0,2|1,0,1]=4 2377 B12R1.252 c1ccc(cc1)C=CCC(=O)O TS11546 [0,0,0,0,0,2|0,0,0]=2 2378 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [0,0,0,0,0,2|1,0,0]=3 2379 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [0,0,0,0,0,2|1,0,0]=3 2380 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [0,0,0,0,0,2|0,0,0]=2 2381 B12R1.252 c1ccc(cc1)CONC(=O)N TS09026 [0,0,0,0,0,2|1,0,0]=3 2382 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [0,0,0,0,0,2|1,0,0]=3 2383 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [0,0,0,0,0,2|0,0,0]=2 2384 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [0,0,0,0,0,2|1,0,0]=3 2385 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [0,0,0,0,0,2|0,0,0]=2 2386 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [0,0,0,0,0,2|0,0,0]=2 2387 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [0,0,0,0,0,2|0,0,0]=2 2388 B12R1.252 c1ccnc(c1)NCCC(=O)O TS12214 [0,0,0,0,0,2|1,0,0]=3 2389 B12R1.252 c1cnccc1CCCC(=O)O TS38168 [0,0,0,0,0,2|1,0,0]=3