0 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.119 Cc1c(c(c(cn1)Br)N)Br TS73453 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.119 Cc1c(c(ccc1F)Br)C TS19504 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.119 Cc1c(c(ccc1F)F)C TS46806 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.119 Cc1c(c(ccc1N)F)C TS37296 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.119 Cc1c(c(ccc1N)O)C TS37123 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.119 Cc1c(c(ccc1O)Br)C TS38044 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.119 Cc1c(c(ccc1O)F)C TS06458 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.119 Cc1c(c(ccc1O)I)C TS62513 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.119 Cc1c(c(ccc1O)O)C TS47167 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.119 Cc1c(c(cnc1Cl)F)I TS74161 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.119 Cc1c(c(cnc1Cl)F)O TS11465 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.119 Cc1c(ccc(c1Cl)Br)N TS23185 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.119 Cc1c(ccc(c1Cl)Cl)Cl TS52071 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.119 Cc1c(ccc(c1Cl)N)Cl TS09224 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.119 Cc1c(ccc(c1F)Br)F TS39121 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.119 Cc1c(ccc(c1F)F)Br TS39120 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.119 Cc1c(ccc(c1N)N)F TS16833 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.119 Cc1c(cnc(c1Br)Cl)Br TS34870 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.119 Cc1c(cnc(c1Br)F)Br TS73823 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.119 Cc1c(cnc(c1Br)N)Br TS47356 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.119 Cc1c(cnc(c1Br)O)Br TS30357 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.119 Cc1c(cnc(c1Cl)N)Cl TS13970 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.119 Cc1c(cnc(c1F)Cl)I TS74163 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.119 Cc1c(cnc(c1I)N)Br TS61048 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.119 Cc1c(cnc(c1N)N)Br TS38197 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.119 Cc1c(cnc(c1N)N)Cl TS10918 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.119 Cc1c(n(=O)ccc1Cl)C TS65124 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.119 Cc1c[nH]c(=O)n(c1=O)C TS70686 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.119 Cc1ccc(c(c1C)N)N TS37042 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.119 Cc1ccc(c(c1Cl)Br)Cl TS26441 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.119 Cc1ccc(c(c1Cl)Cl)Cl TS52069 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.119 Cc1ccc(c(c1Cl)N)Cl TS47288 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.119 Cc1ccc(c(c1Cl)O)F TS42238 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.119 Cc1ccc(c(c1F)C)Br TS19503 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.119 Cc1ccc(c(c1F)F)F TS60224 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.119 Cc1ccc(c(c1F)F)O TS06918 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.119 Cc1ccc(c(c1F)O)Cl TS42236 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.119 Cc1ccc(c(c1F)O)F TS06919 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.119 Cc1ccc(c(c1I)C)I TS66274 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.119 Cc1ccc(c(c1N)C)Cl TS10627 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.119 Cc1ccc(c(c1O)Cl)N TS16778 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.119 Cn1ccc(=O)n(c1=O)C TS00376 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.119 c1cc(c(c(c1Br)F)F)Br TS65283 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.119 c1cc(c(c(c1Cl)Cl)Cl)Cl TS21963 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br TS87194 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.119 c1cc(c(c(c1Cl)O)Cl)Cl TS18505 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.119 c1cc(c(c(c1F)Cl)F)Cl TS46798 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.119 c1cc(c(c(c1F)F)Br)F TS02325 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.119 c1cc(c(c(c1F)F)F)Br TS60223 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.119 c1cc(c(c(c1F)F)F)Cl TS43156 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.119 c1cc(c(c(c1F)F)F)F TS16831 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.119 c1cc(c(c(c1F)N)F)F TS65312 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.119 c1cc(c(c(c1F)O)Cl)F TS65396 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.119 c1cc(c(c(c1F)O)F)Cl TS42824 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.119 c1cc(c(c(c1F)O)F)F TS40587 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.119 c1cc(c(c(c1N)Cl)Cl)Br TS57482 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.119 c1cc(c(c(c1N)Cl)Cl)Cl TS18347 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.119 c1cc(c(c(c1N)Cl)Cl)F TS47817 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.119 c1cc(c(c(c1N)F)Cl)Br TS60392 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl TS65446 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.119 c1cc(c(c(c1N)F)Cl)F TS09342 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.119 c1cc(c(c(c1N)F)Cl)O TS08675 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.119 c1cc(c(c(c1N)F)F)Br TS00001 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.119 c1cc(c(c(c1N)F)F)F TS40491 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.119 c1cc(c(c(c1N)F)F)O TS08674 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.119 c1cc(c(c(c1N)N)F)F TS06922 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.119 c1cc(c(c(c1O)Cl)Cl)Cl TS47132 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.119 c1cc(c(c(c1O)Cl)N)Cl TS65068 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.119 c1cc(c(c(c1O)F)F)Br TS00002 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.119 c1cc(c(c(c1O)F)F)F TS65299 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.119 c1cc(c(c(c1O)F)F)I TS67794 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.119 c1cc(c(c(c1O)F)F)O TS40362 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.3 CC1=CC=C[C@H]([C@H]1O)O TS05151 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.3 Cc1c([nH]cnc1=O)O TS55604 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.3 Cc1c(c(=O)cc[nH]1)O TS05073 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.3 Cc1c(c(=O)cco1)O TS05135 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.3 Cc1c(c(ccn1)Cl)Cl TS02536 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.3 Cc1c(c(ccn1)N)Cl TS06807 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.3 Cc1c(c(ccn1)N)N TS02446 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.3 Cc1c(c(ncn1)C)Br TS89568 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.3 Cc1c(c(ncn1)C)N TS32566 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.3 Cc1c(c(ncn1)C)O TS05019 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.3 Cc1c(c(ncn1)O)F TS94915 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.3 Cc1c(cccc1Br)Br TS00700 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.3 Cc1c(cccc1Br)Cl TS20047 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.3 Cc1c(cccc1Br)F TS08362 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.3 Cc1c(cccc1Br)N TS00799 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.3 Cc1c(cccc1Cl)Cl TS11353 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.3 Cc1c(cccc1Cl)F TS02142 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.3 Cc1c(cccc1Cl)N TS00137 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.3 Cc1c(cccc1Cl)N TS46375 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.3 Cc1c(cccc1F)F TS47312 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.3 Cc1c(cccc1F)N TS70570 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.3 Cc1c(cccc1F)O TS70572 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.3 Cc1c(cccc1I)Cl TS65405 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.3 Cc1c(cccc1I)F TS60285 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.3 Cc1c(cccc1N)N TS32518 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.3 Cc1c(cccc1O)N TS02637 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.3 Cc1c(cccc1O)O TS32599 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.3 Cc1c(ccnc1Cl)Br TS16933 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.3 Cc1c(ccnc1Cl)Cl TS00615 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.3 Cc1c(ccnc1Cl)I TS07713 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.3 Cc1c(ccnc1F)Br TS16272 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.3 Cc1c(cncc1Br)Br TS02573 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.3 Cc1c(cncc1Cl)Cl TS59596 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.3 Cc1c(nccc1N)C TS32511 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.3 Cc1c(ncnc1O)C TS32615 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.3 Cc1c(ncnc1O)O TS05142 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.3 Cc1cccc([n+]1[O-])N TS05012 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.3 Cc1cccc(c1Br)C TS47327 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.3 Cc1cccc(c1Br)Cl TS01772 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.3 Cc1cccc(c1Br)F TS09120 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.3 Cc1cccc(c1C)Br TS65899 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.3 Cc1cccc(c1C)C TS07872 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.3 Cc1cccc(c1C)Cl TS65291 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.3 Cc1cccc(c1C)F TS65316 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.3 Cc1cccc(c1C)I TS25160 [1,0,0,0,0,0|1,0,0]=2 122 B9R1.3 Cc1cccc(c1C)N TS07902 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.3 Cc1cccc(c1C)N TS10929 [1,0,0,0,0,0|1,0,0]=2 124 B9R1.3 Cc1cccc(c1C)O TS07901 [1,0,0,0,0,0|0,0,0]=1 125 B9R1.3 Cc1cccc(c1C)S TS06305 [1,0,0,0,0,0|0,1,0]=2 126 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [1,0,0,0,0,0|1,0,0]=2 127 B9R1.3 Cc1cccc(c1Cl)Br TS20048 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.3 Cc1cccc(c1Cl)C TS37458 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.3 Cc1cccc(c1Cl)Cl TS11355 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.3 Cc1cccc(c1F)Br TS65480 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.3 Cc1cccc(c1F)C TS09256 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.3 Cc1cccc(c1F)Cl TS22994 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.3 Cc1cccc(c1F)I TS65047 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.3 Cc1cccc(c1F)N TS02631 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.3 Cc1cccc(c1F)O TS08401 [1,0,0,0,0,0|1,0,0]=2 136 B9R1.3 Cc1cccc(c1I)C TS53266 [1,0,0,0,0,0|1,0,0]=2 137 B9R1.3 Cc1cccc(c1I)Cl TS65975 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.3 Cc1cccc(c1I)F TS70566 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.3 Cc1cccc(c1N)Br TS48835 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.3 Cc1cccc(c1N)Cl TS00930 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.3 Cc1cccc(c1N)F TS55366 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.3 Cc1cccc(c1N)N TS00551 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.3 Cc1cccc(c1N)O TS47377 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.3 Cc1cccc(c1O)C TS04899 [1,0,0,0,0,0|0,0,0]=1 145 B9R1.3 Cc1cccc(c1O)Cl TS37681 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.3 Cc1cccc(c1O)N TS55527 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.3 Cc1cccc(c1O)O TS32601 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.3 Cc1cccc(c1S)C TS06310 [1,0,0,0,0,0|0,1,0]=2 149 B9R1.3 Cc1cccc(n1=O)C TS04973 [1,0,0,0,0,0|1,0,1]=3 150 B9R1.3 Cc1cccn(=O)c1C TS04975 [1,0,0,0,0,0|1,0,1]=3 151 B9R1.3 Cc1ccnc(c1Br)Br TS28128 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.3 Cc1ccnc(c1Br)Cl TS22883 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.3 Cc1ccnc(c1Br)F TS16861 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.3 Cc1ccnc(c1Br)N TS08277 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.3 Cc1ccnc(c1Br)O TS15903 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.3 Cc1ccnc(c1Cl)Br TS39095 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.3 Cc1ccnc(c1Cl)Cl TS11470 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.3 Cc1ccnc(c1Cl)N TS06802 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.3 Cc1ccnc(c1F)Br TS09119 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.3 Cc1ccnc(c1F)Cl TS65041 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.3 Cc1ccnc(c1I)Br TS07705 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.3 Cc1ccnc(c1N)Br TS02619 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.3 Cc1ccnc(c1N)Cl TS06798 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.3 Cc1ccnc(c1N)F TS55344 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.3 Cc1ccnc(c1N)N TS71234 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.3 Cc1ccnc(c1O)Cl TS06902 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.3 Cc1cncc(c1Br)C TS48834 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.3 Cc1cncc(c1N)Br TS49015 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.3 Cc1cncc(c1N)C TS04913 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.3 Cc1cncc(c1N)Cl TS06804 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.3 Cc1cncc(c1N)I TS02986 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.3 Cc1cncc(c1O)F TS05257 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.3 Cn1cccc(c1=O)Br TS91255 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.3 Cn1cccc(c1=O)N TS86768 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.3 c1c(c(c(cn1)Cl)O)Cl TS65782 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.3 c1cc(c(c(c1)Br)Br)Br TS76732 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl TS46906 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.3 c1cc(c(c(c1)Br)Cl)F TS09267 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.3 c1cc(c(c(c1)Br)F)Cl TS65970 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.3 c1cc(c(c(c1)Br)F)F TS46907 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.3 c1cc(c(c(c1)Br)N)Br TS00693 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.3 c1cc(c(c(c1)Br)N)Cl TS39091 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.3 c1cc(c(c(c1)Br)N)F TS55143 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.3 c1cc(c(c(c1)Br)N)N TS49020 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.3 c1cc(c(c(c1)Br)O)Br TS00698 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.3 c1cc(c(c(c1)Br)O)F TS60270 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.3 c1cc(c(c(c1)Br)O)N TS00797 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl TS46911 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.3 c1cc(c(c(c1)Cl)Br)F TS55256 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl TS48138 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.3 c1cc(c(c(c1)Cl)Cl)F TS02330 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.3 c1cc(c(c(c1)Cl)Cl)N TS11474 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.3 c1cc(c(c(c1)Cl)Cl)S TS14337 [1,0,0,0,0,0|2,1,0]=4 200 B9R1.3 c1cc(c(c(c1)Cl)F)Cl TS47301 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.3 c1cc(c(c(c1)Cl)F)F TS65290 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.3 c1cc(c(c(c1)Cl)F)N TS65967 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.3 c1cc(c(c(c1)Cl)I)Cl TS59885 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.3 c1cc(c(c(c1)Cl)I)N TS28513 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.3 c1cc(c(c(c1)Cl)N)Cl TS47295 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.3 c1cc(c(c(c1)Cl)N)F TS55254 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.3 c1cc(c(c(c1)Cl)N)S TS11196 [1,0,0,0,0,0|2,1,0]=4 210 B9R1.3 c1cc(c(c(c1)Cl)O)Cl TS11645 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.3 c1cc(c(c(c1)Cl)O)F TS55258 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.3 c1cc(c(c(c1)Cl)S)Cl TS47674 [1,0,0,0,0,0|2,1,0]=4 213 B9R1.3 c1cc(c(c(c1)F)Br)F TS55067 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.3 c1cc(c(c(c1)F)Br)N TS08301 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.3 c1cc(c(c(c1)F)Cl)F TS85137 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.3 c1cc(c(c(c1)F)Cl)N TS08397 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.3 c1cc(c(c(c1)F)F)F TS05699 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.3 c1cc(c(c(c1)F)F)N TS44666 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.3 c1cc(c(c(c1)F)I)F TS26442 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.3 c1cc(c(c(c1)F)I)N TS09364 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.3 c1cc(c(c(c1)F)N)F TS34648 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.3 c1cc(c(c(c1)F)O)F TS47306 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.3 c1cc(c(c(c1)F)O)N TS01226 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.3 c1cc(c(c(c1)I)F)Cl TS65485 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.3 c1cc(c(c(c1)I)N)Cl TS28514 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.3 c1cc(c(c(c1)I)N)F TS25993 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.3 c1cc(c(c(c1)I)O)F TS57023 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.3 c1cnc(c(c1Br)O)N TS73944 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.3 c1cnc(c(c1N)Br)O TS16114 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.3 c1cnc(c(c1N)Cl)O TS70878 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.3 c1cnc(c(c1N)N)O TS02527 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,0,0,0,0,0|1,0,0]=2 290 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,0,0,0,0,0|2,0,0]=3 303 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,0,0,0,0,0|2,0,0]=3 305 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,0,0,0,0,0|2,0,0]=3 308 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,0,0,0,0,0|2,0,0]=3 309 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,0,0,0,0,0|2,0,0]=3 312 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,0,0,0,0,0|2,0,0]=3 330 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,0,0,0,0,0|2,0,0]=3 331 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,0,0,0,0,0|2,0,0]=3 332 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,0,0,0,0,0|3,0,0]=4 347 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,0,0,0,0,0|3,0,0]=4 358 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,0,0,0,0,0|3,0,0]=4 359 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.69 Cc1cc(ncc1Br)F TS85252 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.69 Cc1cc(ncc1Br)N TS47423 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.69 Cc1cc(ncc1F)Br TS16269 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.69 Cc1cc(ncc1F)N TS00784 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.69 Cc1cc(ncc1I)F TS25994 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.69 Cc1cc(ncc1I)N TS53553 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.69 Cc1cc(ncc1N)Br TS71350 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.69 Cc1cc(ncc1N)N TS32570 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [1,0,0,0,0,0|2,0,0]=3 382 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,0,0,0,0,0|2,0,0]=3 383 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,0,0,0,0,0|1,0,0]=2 384 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,0,0,0,0,0|2,0,0]=3 385 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,0,0,0,0,0|2,0,0]=3 386 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,0,0,0,0,0|2,0,0]=3 387 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,0,0,0,0,0|2,0,0]=3 388 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,0,0,0,0,0|2,0,0]=3 389 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,0,0,0,0,0|2,0,0]=3 390 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,0,0,0,0,0|1,0,0]=2 391 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,0,0,0,0,0|0,0,0]=1 392 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,0,0,0,0,0|1,0,0]=2 393 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,0,0,0,0,0|1,0,0]=2 394 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,0,0,0,0,0|1,0,0]=2 395 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,0,0,0,0,0|1,0,0]=2 396 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,0,0,0,0,0|1,0,0]=2 397 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,0,0,0,0,0|1,0,0]=2 398 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,0,0,0,0,0|1,0,0]=2 399 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,0,0,0,0,0|1,0,0]=2 400 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,0,0,0,0,0|2,0,0]=3 401 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,0,0,0,0,0|1,0,0]=2 402 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,0,0,0,0,0|2,0,0]=3 405 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,0,0,0,0,0|2,0,0]=3 406 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,0,0,0,0,0|2,0,0]=3 407 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,0,0,0,0,0|2,0,0]=3 408 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,0,0,0,0,0|1,0,0]=2 409 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,0,0,0,0,0|2,0,0]=3 410 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,0,0,0,0,0|2,0,0]=3 412 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,0,0,0,0,0|2,0,0]=3 413 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,0,0,0,0,0|1,0,0]=2 414 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,0,0,0,0,0|2,0,0]=3 418 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,0,0,0,0,0|1,0,0]=2 419 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,0,0,0,0,0|2,0,0]=3 420 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,0,0,0,0,0|2,0,0]=3 421 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,0,0,0,0,0|2,0,0]=3 422 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,0,0,0,0,0|2,0,0]=3 423 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,0,0,0,0,0|2,0,0]=3 425 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,0,0,0,0,0|0,0,0]=1 426 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,0,0,0,0,0|1,0,0]=2 427 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,0,0,0,0,0|1,0,0]=2 428 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,0,0,0,0,0|1,0,0]=2 429 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,0,0,0,0,0|1,0,0]=2 430 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,0,0,0,0,0|0,1,0]=2 431 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,0,0,0,0,0|1,1,0]=3 432 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,0,0,0,0,0|1,1,0]=3 433 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,0,0,0,0,0|1,1,0]=3 434 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,0,0,0,0,0|1,0,0]=2 435 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,0,0,0,0,0|3,0,0]=4 439 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,0,0,0,0,0|2,0,0]=3 440 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,0,0,0,0,0|2,0,0]=3 441 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,0,0,0,0,0|2,0,0]=3 442 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [1,0,0,0,0,0|3,0,0]=4 443 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [1,0,0,0,0,0|3,0,0]=4 444 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [1,0,0,0,0,0|3,0,0]=4 446 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [1,0,0,0,0,0|3,0,0]=4 449 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [1,0,0,0,0,0|3,0,0]=4 450 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,0,0,0,0,0|3,0,0]=4 451 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,0,0,0,0,0|3,0,0]=4 452 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [1,0,0,0,0,0|3,0,0]=4 453 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [1,0,0,0,0,0|3,0,0]=4 454 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [1,0,0,0,0,0|3,0,0]=4 455 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,0,0,0,0,0|3,0,0]=4 456 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [1,0,0,0,0,0|2,0,0]=3 457 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,0,0,0,0,0|2,0,0]=3 458 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,0,0,0,0,0|2,0,0]=3 459 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,0,0,0,0,0|2,0,0]=3 460 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,0,0,0,0,0|2,0,0]=3 461 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,0,0,0,0,0|1,0,0]=2 462 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,0,0,0,0,0|1,0,0]=2 463 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,0,0,0,0,0|1,0,0]=2 464 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,0,0,0,0,0|1,0,0]=2 465 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,0,0,0,0,0|1,0,0]=2 466 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,0,0,0,0,0|1,0,0]=2 467 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,0,0,0,0,0|1,0,0]=2 468 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,0,0,0,0,0|2,0,0]=3 469 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,0,0,0,0,0|2,0,0]=3 470 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,0,0,0,0,0|2,0,0]=3 471 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,0,0,0,0,0|2,0,0]=3 472 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,0,0,0,0,0|2,0,0]=3 473 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,0,0,0,0,0|2,0,0]=3 474 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,0,0,0,0,0|2,0,0]=3 475 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,0,0,0,0,0|2,0,0]=3 476 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,0,0,0,0,0|2,0,0]=3 477 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,0,0,0,0,0|2,0,0]=3 478 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,0,0,0,0,0|2,0,0]=3 479 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,0,0,0,0,0|2,0,0]=3 480 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,0,0,0,0,0|2,0,0]=3 481 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,0,0,0,0,0|2,0,0]=3 482 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,0,0,0,0,0|2,0,0]=3 483 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,0,0,0,0,0|2,0,0]=3 484 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,0,0,0,0,0|2,0,0]=3 485 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,0,0,0,0,0|2,0,0]=3 486 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,0,0,0,0,0|2,0,0]=3 487 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,0,0,0,0,0|2,0,0]=3 488 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,0,0,0,0,0|2,0,0]=3 489 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,0,0,0,0,0|2,0,0]=3 490 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,0,0,0,0,0|2,0,0]=3 491 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,0,0,0,0,0|1,0,0]=2 492 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,0,0,0,0,0|1,0,0]=2 493 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,0,0,0,0,0|1,0,0]=2 494 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,0,0,0,0,0|1,0,0]=2 495 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,0,0,0,0,0|1,1,0]=3 496 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,0,0,0,0,0|1,1,0]=3 497 B9R1.69 Cc1ccc(cn1=O)Br TS09800 [1,0,0,0,0,0|2,0,1]=4 498 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,0,0,0,0,0|1,0,0]=2 499 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,0,0,0,0,0|1,0,0]=2 500 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,0,0,0,0,0|2,0,0]=3 501 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [1,0,0,0,0,0|3,0,0]=4 502 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,0,0,0,0,0|2,0,0]=3 503 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,0,0,0,0,0|2,0,0]=3 504 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [1,0,0,0,0,0|3,0,0]=4 505 B9R1.69 Cc1cnc(c(n1)Cl)C TS06805 [1,0,0,0,0,0|3,0,0]=4 506 B9R1.69 Cc1cnc(cc1Cl)Cl TS00611 [1,0,0,0,0,0|3,0,0]=4 507 B9R1.69 Cc1cnc(cc1I)F TS08417 [1,0,0,0,0,0|3,0,0]=4 508 B9R1.69 Cc1cnc(cn1=O)C TS05014 [1,0,0,0,0,0|2,0,1]=4 509 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [1,0,0,0,0,0|3,0,0]=4 510 B9R1.69 Cn1cc(ccc1=O)F TS03324 [1,0,0,0,0,0|3,0,0]=4 511 B9R1.69 Cn1cc(ccc1=O)N TS87923 [1,0,0,0,0,0|3,0,0]=4 512 B9R1.69 Cn1ccc(cc1=O)Br TS89656 [1,0,0,0,0,0|2,0,1]=4 513 B9R1.69 Cn1ccc(cc1=O)N TS85868 [1,0,0,0,0,0|2,0,1]=4 514 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [1,0,0,0,0,0|3,0,0]=4 515 B9R1.69 c1c(c(cnc1Cl)Cl)O TS11787 [1,0,0,0,0,0|3,0,0]=4 516 B9R1.69 c1c(cnc(c1O)Br)Cl TS20650 [1,0,0,0,0,0|3,0,0]=4 517 B9R1.69 c1c(cnc(c1O)Cl)Br TS71412 [1,0,0,0,0,0|3,0,0]=4 518 B9R1.69 c1c(cnc(c1O)Cl)F TS07716 [1,0,0,0,0,0|3,0,0]=4 519 B9R1.69 c1c(cnc(c1O)F)Br TS55325 [1,0,0,0,0,0|3,0,0]=4 520 B9R1.69 c1c(cnc(c1O)N)Cl TS40265 [1,0,0,0,0,0|3,0,0]=4 521 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [1,0,0,0,0,0|3,0,0]=4 522 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,0,0,0,0,0|3,0,0]=4 523 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,0,0,0,0,0|3,0,0]=4 524 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,0,0,0,0,0|3,0,0]=4 525 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,0,0,0,0,0|3,0,0]=4 526 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,0,0,0,0,0|3,0,0]=4 527 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,0,0,0,0,0|3,0,0]=4 528 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,0,0,0,0,0|3,0,0]=4 529 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,0,0,0,0,0|3,0,0]=4 530 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,0,0,0,0,0|3,0,0]=4 531 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,0,0,0,0,0|3,0,0]=4 532 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,0,0,0,0,0|3,0,0]=4 533 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,0,0,0,0,0|3,0,0]=4 534 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,0,0,0,0,0|3,0,0]=4 535 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,0,0,0,0,0|3,0,0]=4 536 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,0,0,0,0,0|3,0,0]=4 537 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,0,0,0,0,0|3,0,0]=4 538 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,0,0,0,0,0|3,0,0]=4 539 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,0,0,0,0,0|3,0,0]=4 540 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,0,0,0,0,0|3,0,0]=4 541 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,0,0,0,0,0|3,0,0]=4 542 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,0,0,0,0,0|3,0,0]=4 543 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,0,0,0,0,0|3,0,0]=4 544 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,0,0,0,0,0|3,0,0]=4 545 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,0,0,0,0,0|3,0,0]=4 546 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,0,0,0,0,0|2,0,0]=3 547 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,0,0,0,0,0|2,0,0]=3 548 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,0,0,0,0,0|2,0,0]=3 549 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,0,0,0,0,0|2,0,0]=3 550 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,0,0,0,0,0|2,0,0]=3 551 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,0,0,0,0,0|2,1,0]=4 552 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,0,0,0,0,0|3,0,0]=4 553 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,0,0,0,0,0|3,0,0]=4 554 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,0,0,0,0,0|3,0,0]=4 555 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,0,0,0,0,0|3,0,0]=4 556 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,0,0,0,0,0|3,0,0]=4 557 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,0,0,0,0,0|3,0,0]=4 558 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,0,0,0,0,0|3,0,0]=4 559 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,0,0,0,0,0|3,0,0]=4 560 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,0,0,0,0,0|3,0,0]=4 561 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,0,0,0,0,0|3,0,0]=4 562 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,0,0,0,0,0|3,0,0]=4 563 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,0,0,0,0,0|3,0,0]=4 564 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,0,0,0,0,0|3,0,0]=4 565 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,0,0,0,0,0|3,0,0]=4 566 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,0,0,0,0,0|3,0,0]=4 567 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,0,0,0,0,0|3,0,0]=4 568 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,0,0,0,0,0|3,0,0]=4 569 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,0,0,0,0,0|3,0,0]=4 570 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,0,0,0,0,0|3,0,0]=4 571 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,0,0,0,0,0|3,0,0]=4 572 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,0,0,0,0,0|3,0,0]=4 573 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,0,0,0,0,0|3,0,0]=4 574 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,0,0,0,0,0|3,0,0]=4 575 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,0,0,0,0,0|3,0,0]=4 576 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,0,0,0,0,0|3,0,0]=4 577 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,0,0,0,0,0|3,0,0]=4 578 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,0,0,0,0,0|3,0,0]=4 579 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,0,0,0,0,0|3,0,0]=4 580 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,0,0,0,0,0|3,0,0]=4 581 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,0,0,0,0,0|3,0,0]=4 582 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,0,0,0,0,0|2,0,0]=3 583 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,0,0,0,0,0|2,0,0]=3 584 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,0,0,0,0,0|2,0,0]=3 585 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,0,0,0,0,0|2,0,0]=3 586 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,0,0,0,0,0|2,0,0]=3 587 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,0,0,0,0,0|2,1,0]=4 588 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,0,0,0,0,0|2,1,0]=4 589 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,0,0,0,0,0|3,0,0]=4 590 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,0,0,0,0,0|3,0,0]=4 591 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,0,0,0,0,0|3,0,0]=4 592 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,0,0,0,0,0|3,0,0]=4 593 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,0,0,0,0,0|3,0,0]=4 594 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,0,0,0,0,0|3,0,0]=4 595 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,0,0,0,0,0|3,0,0]=4 596 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,0,0,0,0,0|3,0,0]=4 597 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,0,0,0,0,0|3,0,0]=4 598 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,0,0,0,0,0|3,0,0]=4 599 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,0,0,0,0,0|3,0,0]=4 600 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,0,0,0,0,0|3,0,0]=4 601 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,0,0,0,0,0|3,0,0]=4 602 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,0,0,0,0,0|3,0,0]=4 603 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,0,0,0,0,0|3,0,0]=4 604 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,0,0,0,0,0|3,0,0]=4 605 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,0,0,0,0,0|3,0,0]=4 606 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,0,0,0,0,0|3,0,0]=4 607 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,0,0,0,0,0|3,0,0]=4 608 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,0,0,0,0,0|3,0,0]=4 609 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,0,0,0,0,0|3,0,0]=4 610 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,0,0,0,0,0|3,0,0]=4 611 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,0,0,0,0,0|3,0,0]=4 612 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,0,0,0,0,0|3,0,0]=4 613 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,0,0,0,0,0|3,0,0]=4 614 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,0,0,0,0,0|3,0,0]=4 615 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,0,0,0,0,0|3,0,0]=4 616 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,0,0,0,0,0|3,0,0]=4 617 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,0,0,0,0,0|3,0,0]=4 618 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,0,0,0,0,0|3,0,0]=4 619 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,0,0,0,0,0|3,0,0]=4 620 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,0,0,0,0,0|2,0,0]=3 621 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,0,0,0,0,0|2,0,0]=3 622 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,0,0,0,0,0|2,0,0]=3 623 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,0,0,0,0,0|2,0,0]=3 624 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,0,0,0,0,0|2,0,0]=3 625 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,0,0,0,0,0|2,1,0]=4 626 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,0,0,0,0,0|3,0,0]=4 627 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,0,0,0,0,0|3,0,0]=4 628 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,0,0,0,0,0|3,0,0]=4 629 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,0,0,0,0,0|3,0,0]=4 630 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,0,0,0,0,0|3,0,0]=4 631 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,0,0,0,0,0|3,0,0]=4 632 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,0,0,0,0,0|3,0,0]=4 633 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,0,0,0,0,0|3,0,0]=4 634 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,0,0,0,0,0|3,0,0]=4 635 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,0,0,0,0,0|3,0,0]=4 636 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,0,0,0,0,0|3,0,0]=4 637 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,0,0,0,0,0|3,0,0]=4 638 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,0,0,0,0,0|3,0,0]=4 639 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,0,0,0,0,0|3,0,0]=4 640 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,0,0,0,0,0|3,0,0]=4 641 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,0,0,0,0,0|2,0,0]=3 642 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,0,0,0,0,0|3,0,0]=4 643 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,0,0,0,0,0|3,0,0]=4 644 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,0,0,0,0,0|3,0,0]=4 645 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,0,0,0,0,0|3,0,0]=4 646 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,0,0,0,0,0|3,0,0]=4 647 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,0,0,0,0,0|3,0,0]=4 648 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,0,0,0,0,0|3,0,0]=4 649 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,0,0,0,0,0|3,0,0]=4 650 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,0,0,0,0,0|3,0,0]=4 651 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,0,0,0,0,0|3,0,0]=4 652 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,0,0,0,0,0|3,0,0]=4 653 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,0,0,0,0,0|3,0,0]=4 654 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,0,0,0,0,0|3,0,0]=4 655 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,0,0,0,0,0|3,0,0]=4 656 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,0,0,0,0,0|3,0,0]=4 657 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,0,0,0,0,0|3,0,0]=4 658 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,0,0,0,0,0|3,0,0]=4 659 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,0,0,0,0,0|3,0,0]=4 660 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,0,0,0,0,0|3,0,0]=4 661 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,0,0,0,0,0|3,0,0]=4 662 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,0,0,0,0,0|3,0,0]=4 663 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,0,0,0,0,0|3,0,0]=4 664 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,0,0,0,0,0|3,0,0]=4 665 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,0,0,0,0,0|2,0,0]=3 666 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,0,0,0,0,0|2,0,0]=3 667 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,0,0,0,0,0|3,0,0]=4 668 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,0,0,0,0,0|3,0,0]=4 669 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,0,0,0,0,0|3,0,0]=4 670 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,0,0,0,0,0|3,0,0]=4 671 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,0,0,0,0,0|3,0,0]=4 672 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,0,0,0,0,0|3,0,0]=4 673 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,0,0,0,0,0|3,0,0]=4 674 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,0,0,0,0,0|3,0,0]=4 675 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,0,0,0,0,0|3,0,0]=4 676 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,0,0,0,0,0|3,0,0]=4 677 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,0,0,0,0,0|3,0,0]=4 678 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,0,0,0,0,0|3,0,0]=4 679 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,0,0,0,0,0|3,0,0]=4 680 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,0,0,0,0,0|3,0,0]=4 681 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,0,0,0,0,0|3,0,0]=4 682 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,0,0,0,0,0|3,0,0]=4 683 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,0,0,0,0,0|2,0,0]=3 684 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,0,0,0,0,0|2,0,0]=3 685 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,0,0,0,0,0|2,0,0]=3 686 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,0,0,0,0,0|2,0,0]=3 687 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,0,0,0,0,0|3,0,0]=4 688 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,0,0,0,0,0|3,0,0]=4 689 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,0,0,0,0,0|3,0,0]=4 690 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,0,0,0,0,0|3,0,0]=4 691 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,0,0,0,0,0|2,1,0]=4 692 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,0,0,0,0,0|3,0,0]=4 693 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,0,0,0,0,0|3,0,0]=4 694 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,0,0,0,0,0|3,0,0]=4 695 B9R1.69 c1cc(nc(c1N)O)Br TS65864 [1,0,0,0,0,0|3,0,0]=4 696 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C TS09867 [0,1,0,0,0,0|0,0,1]=2 697 B11R1.32 Cc1c(c(c(cc1Br)Br)N)C TS54198 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.32 Cc1c(c(c(cc1Br)N)N)C TS21839 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.32 Cc1c(c(cc(c1F)F)F)F TS11791 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.32 Cc1c(c(nc(c1Br)C)C)Br TS02566 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.32 Cc1c(c(nc(c1Br)N)C)Br TS54292 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.32 Cc1c(c(nc(c1Cl)N)C)Cl TS51243 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.32 Cc1c(cc(c(c1Br)N)Br)Br TS64400 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.32 Cc1c(cc(c(c1Br)O)Br)Br TS64457 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.32 Cc1c(cc(c(c1O)C)O)O TS10419 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.32 Cc1c(nc(c(c1Cl)C)Cl)C TS16294 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.32 Cc1c[n+](c(c(c1Cl)C)C)[O-] TS45377 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.32 Cc1cc(=O)n(c(=O)n1C)C TS10432 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.32 Cc1cc(c(c(c1Br)Br)O)Br TS64455 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.32 Cc1cc(c(c(c1Br)C)Br)C TS33979 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.32 Cc1cc(c(c(c1C)Br)C)C TS44301 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.32 Cc1cc(c(c(c1C)Br)N)C TS21618 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.32 Cc1cc(c(c(c1C)C)C)C TS29497 [0,1,0,0,0,0|1,0,0]=2 714 B11R1.32 Cc1cc(c(c(c1C)C)C)I TS29430 [0,1,0,0,0,0|1,0,0]=2 715 B11R1.32 Cc1cc(c(c(c1C)I)C)C TS68334 [0,1,0,0,0,0|1,0,0]=2 716 B11R1.32 Cc1cc(c(c(c1C)O)C)C TS09921 [0,1,0,0,0,0|0,0,0]=1 717 B11R1.32 Cc1cc(c(c(c1Cl)Br)N)Br TS74532 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.32 Cc1cc(c(c(c1Cl)C)Cl)F TS51584 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.32 Cc1cc(c(c(c1Cl)C)Cl)O TS51234 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.32 Cc1cc(c(c(c1F)F)F)F TS65294 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.32 Cc1cc(c(c(c1N)C)Br)C TS65478 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.32 Cc1cc(c(c(c1N)C)N)C TS02123 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.32 Cc1cc(c(c(c1O)C)C)Br TS21832 [0,1,0,0,0,0|0,0,0]=1 724 B11R1.32 Cc1cc(c(c(c1O)C)C)O TS10191 [0,1,0,0,0,0|0,0,0]=1 725 B11R1.32 Cc1cc(c(c(c1O)C)O)C TS41145 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.32 c1c(c(c(c(c1Cl)Cl)Cl)O)Cl TS25150 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.32 c1c(c(c(c(c1Cl)Cl)Cl)O)Cl TS28541 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.32 c1c(c(c(c(c1Cl)Cl)O)Cl)Cl TS25151 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.32 c1c(c(c(c(c1F)Cl)O)Cl)F TS18758 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.32 c1c(c(c(c(c1F)Cl)O)F)F TS15057 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.32 c1c(c(c(c(c1F)F)O)F)F TS38549 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.32 c1c(c(c(c(c1F)F)O)F)F TS40013 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.32 c1c(c(c(c(c1I)O)I)O)I TS83056 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.72 Cc1c(c(ccn1=O)Cl)OC TS09642 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.72 Cc1ccc(c(c1Cl)C=O)F TS13269 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.72 Cc1ccc(c(c1Cl)CBr)F TS56989 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.72 Cc1ccc(c(c1Cl)CN)F TS13419 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.72 Cc1ccc(c(c1Cl)CO)F TS13584 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.72 Cc1ccc(c(c1F)C=O)Cl TS13270 [0,1,0,0,0,0|2,0,1]=4 746 B11R1.72 Cc1ccc(c(c1F)C=O)F TS10656 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.72 Cc1ccc(c(c1F)CBr)F TS65357 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.72 Cc1ccc(c(c1F)CN)F TS41755 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.72 Cc1ccc(c(c1F)CO)Cl TS13595 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.72 Cc1cnc(c(c1C=O)O)C TS40997 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.72 Cc1cnc(c(c1OC)C)Cl TS43391 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.72 c1cc(c(c(c1F)CBr)Cl)F TS65395 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.72 c1cc(c(c(c1F)CBr)F)Cl TS26733 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.72 c1cc(c(c(c1F)CBr)F)F TS02324 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.72 c1cc(c(c(c1F)CN)Cl)F TS46350 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.72 c1cc(c(c(c1F)CN)F)Cl TS09347 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.72 c1cc(c(c(c1F)CN)F)F TS02323 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.72 c1cc(c(c(c1F)CO)Cl)F TS14302 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.72 c1cc(c(c(c1F)CO)F)Cl TS14301 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.72 c1cc(c(c(c1F)CO)F)F TS42386 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.72 c1cc(c(c(c1N)CN)Cl)Cl TS51242 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.278 COc1ccc(c(c1Br)F)F TS50251 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.278 COc1ccc(c(c1Cl)Cl)Cl TS21187 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.278 COc1ccc(c(c1F)F)Br TS50253 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.278 COc1ccc(c(c1F)F)F TS42384 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.278 COc1ccc(c(c1F)F)O TS42117 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.278 Cc1c(ccc(c1F)C#N)F TS22989 [0,1,0,0,0,0|2,0,1]=4 772 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [0,1,0,0,0,0|2,0,1]=4 773 B11R1.278 Cc1c(ccc(c1F)CN)F TS10831 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.278 Cc1c(ccc(c1F)F)C#N TS65448 [0,1,0,0,0,0|2,0,1]=4 775 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [0,1,0,0,0,0|2,0,1]=4 776 B11R1.278 Cc1c(ccc(c1F)F)CO TS10935 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [0,1,0,0,0,0|1,0,1]=3 778 B11R1.278 Cc1c(cnc(c1O)C)CO TS16251 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [0,1,0,0,0,0|1,0,1]=3 780 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [0,1,0,0,0,0|2,0,1]=4 782 B11R1.278 Cc1ccc(c(c1F)F)CBr TS23229 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.278 Cc1ccc(c(c1F)F)CN TS10830 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.278 c1cc(c(c(c1C#N)Br)O)N TS70871 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.278 c1cc(c(c(c1CBr)F)F)F TS52108 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.278 c1cc(c(c(c1CCl)F)F)F TS47991 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.278 c1cc(c(c(c1CN)F)F)F TS42259 [0,1,0,0,0,0|3,0,0]=4 791 B9R1.37 CC1=C(C(=C(C1)C)C)C TS04927 [0,0,0,0,1,0|1,0,1]=3 792 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,0,0,0,1,0|2,0,1]=4 793 B9R1.37 CC1C(=O)C(=C(O1)C)O TS36276 [0,0,0,0,1,0|2,0,1]=4 794 B9R1.37 Cc1c(c([nH]c1C)C)C TS32586 [0,0,0,0,1,0|2,0,0]=3 795 B9R1.37 Cc1c(c(n(n1)C)C)Br TS22718 [0,0,0,0,1,0|3,0,0]=4 796 B9R1.37 Cc1c(c(n(n1)C)C)I TS25827 [0,0,0,0,1,0|3,0,0]=4 797 B9R1.37 Cc1c(c(sc1C)C)C TS37430 [0,0,0,0,1,0|2,0,0]=3 798 B9R1.37 Cc1c(n(c(n1)C)C)C TS36019 [0,0,0,0,1,0|3,0,0]=4 799 B9R1.37 Cc1c(sc(c1I)C)C TS63084 [0,0,0,0,1,0|2,0,0]=3 800 B8R0.6 CC=CC=CC(=O)NO TS36227 [1,0,1,0,0,0|2,0,0]=4 801 B8R0.6 CC=CC=CC(=O)OC TS05163 [1,0,1,0,0,0|1,0,1]=4 802 B8R0.23 CC(=C)CC(C(=C)C)O TS05198 [1,0,1,0,0,0|0,0,2]=4 803 B8R1.4 CC1=CCC=C(C1)C TS04144 [2,0,0,0,0,0|0,0,2]=4 804 B8R1.4 C[n+]1cccc(c1)Br TS74567 [2,0,0,0,0,0|2,0,0]=4 805 B8R1.4 Cc1cc(ccn1)Br TS20656 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.4 Cc1cc(ccn1)Br TS85446 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.4 Cc1cc(ccn1)Cl TS42660 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.4 Cc1cc(ccn1)Cl TS71029 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.4 Cc1cc(ccn1)F TS04247 [2,0,0,0,0,0|2,0,0]=4 810 B8R1.4 Cc1cc(ccn1)I TS22520 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.4 Cc1cc(ccn1)N TS93456 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.4 Cc1cc(ccn1)O TS03105 [2,0,0,0,0,0|1,0,0]=3 813 B8R1.4 Cc1cc(cnc1)Br TS65935 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.4 Cc1cc(cnc1)C TS31757 [2,0,0,0,0,0|1,0,0]=3 815 B8R1.4 Cc1cc(cnc1)Cl TS66000 [2,0,0,0,0,0|2,0,0]=4 816 B8R1.4 Cc1cc(cnc1)F TS70587 [2,0,0,0,0,0|2,0,0]=4 817 B8R1.4 Cc1cc(cnc1)N TS02653 [2,0,0,0,0,0|2,0,0]=4 818 B8R1.4 Cc1cc(cnc1)O TS70616 [2,0,0,0,0,0|1,0,0]=3 819 B8R1.4 Cc1cc(ncn1)C TS02936 [2,0,0,0,0,0|2,0,0]=4 820 B8R1.4 Cc1cc(ncn1)O TS71161 [2,0,0,0,0,0|2,0,0]=4 821 B8R1.4 Cc1cccc(c1)Br TS39711 [2,0,0,0,0,0|1,0,0]=3 822 B8R1.4 Cc1cccc(c1)C TS04101 [2,0,0,0,0,0|0,0,0]=2 823 B8R1.4 Cc1cccc(c1)Cl TS36194 [2,0,0,0,0,0|1,0,0]=3 824 B8R1.4 Cc1cccc(c1)F TS31827 [2,0,0,0,0,0|1,0,0]=3 825 B8R1.4 Cc1cccc(c1)I TS49342 [2,0,0,0,0,0|1,0,0]=3 826 B8R1.4 Cc1cccc(c1)N TS04111 [2,0,0,0,0,0|1,0,0]=3 827 B8R1.4 Cc1cccc(c1)N TS40126 [2,0,0,0,0,0|1,0,0]=3 828 B8R1.4 Cc1cccc(c1)O TS31767 [2,0,0,0,0,0|0,0,0]=2 829 B8R1.4 Cc1cccc(c1)S TS05038 [2,0,0,0,0,0|0,1,0]=3 830 B8R1.4 Cc1cccc(n1)Br TS08371 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.4 Cc1cccc(n1)Br TS94756 [2,0,0,0,0,0|2,0,0]=4 832 B8R1.4 Cc1cccc(n1)C TS60248 [2,0,0,0,0,0|1,0,0]=3 833 B8R1.4 Cc1cccc(n1)Cl TS00936 [2,0,0,0,0,0|2,0,0]=4 834 B8R1.4 Cc1cccc(n1)F TS55370 [2,0,0,0,0,0|2,0,0]=4 835 B8R1.4 Cc1cccc(n1)I TS59623 [2,0,0,0,0,0|2,0,0]=4 836 B8R1.4 Cc1cccc(n1)N TS47459 [2,0,0,0,0,0|2,0,0]=4 837 B8R1.4 Cc1cccc(n1)O TS01270 [2,0,0,0,0,0|1,0,0]=3 838 B8R1.4 Cc1cccc(n1)S TS05106 [2,0,0,0,0,0|1,1,0]=4 839 B8R1.4 Cc1cccn(=O)c1 TS02882 [2,0,0,0,0,0|1,0,1]=4 840 B8R1.4 Cc1ccnc(c1)Br TS08333 [2,0,0,0,0,0|2,0,0]=4 841 B8R1.4 Cc1ccnc(c1)C TS07700 [2,0,0,0,0,0|1,0,0]=3 842 B8R1.4 Cc1ccnc(c1)Cl TS55236 [2,0,0,0,0,0|2,0,0]=4 843 B8R1.4 Cc1ccnc(c1)F TS85429 [2,0,0,0,0,0|2,0,0]=4 844 B8R1.4 Cc1ccnc(c1)I TS33096 [2,0,0,0,0,0|2,0,0]=4 845 B8R1.4 Cc1ccnc(c1)O TS01045 [2,0,0,0,0,0|1,0,0]=3 846 B8R1.4 Cc1ccnc(n1)O TS01046 [2,0,0,0,0,0|2,0,0]=4 847 B8R1.4 Cc1cncc(n1)C TS31775 [2,0,0,0,0,0|2,0,0]=4 848 B8R1.4 Cc1cncc(n1)O TS01059 [2,0,0,0,0,0|2,0,0]=4 849 B8R1.4 Cc1nccc(n1)O TS03106 [2,0,0,0,0,0|2,0,0]=4 850 B8R1.4 c1c(cncc1Br)O TS65929 [2,0,0,0,0,0|2,0,0]=4 851 B8R1.4 c1c(cncc1Cl)O TS03267 [2,0,0,0,0,0|2,0,0]=4 852 B8R1.4 c1c(cncc1F)O TS70584 [2,0,0,0,0,0|2,0,0]=4 853 B8R1.4 c1c(cncc1O)N TS31814 [2,0,0,0,0,0|2,0,0]=4 854 B8R1.4 c1c(cncc1O)O TS02592 [2,0,0,0,0,0|2,0,0]=4 855 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [2,0,0,0,0,0|2,0,0]=4 856 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [2,0,0,0,0,0|2,0,0]=4 857 B8R1.4 c1cc(cc(c1)Br)F TS65943 [2,0,0,0,0,0|2,0,0]=4 858 B8R1.4 c1cc(cc(c1)Br)N TS60009 [2,0,0,0,0,0|2,0,0]=4 859 B8R1.4 c1cc(cc(c1)Br)O TS65958 [2,0,0,0,0,0|1,0,0]=3 860 B8R1.4 c1cc(cc(c1)Br)S TS09503 [2,0,0,0,0,0|1,1,0]=4 861 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [2,0,0,0,0,0|2,0,0]=4 862 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [2,0,0,0,0,0|2,0,0]=4 863 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [2,0,0,0,0,0|2,0,0]=4 864 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [2,0,0,0,0,0|2,0,0]=4 865 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [2,0,0,0,0,0|1,0,0]=3 866 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [2,0,0,0,0,0|1,1,0]=4 867 B8R1.4 c1cc(cc(c1)F)F TS07881 [2,0,0,0,0,0|2,0,0]=4 868 B8R1.4 c1cc(cc(c1)F)N TS07389 [2,0,0,0,0,0|2,0,0]=4 869 B8R1.4 c1cc(cc(c1)F)N TS70590 [2,0,0,0,0,0|2,0,0]=4 870 B8R1.4 c1cc(cc(c1)F)O TS70601 [2,0,0,0,0,0|1,0,0]=3 871 B8R1.4 c1cc(cc(c1)I)Br TS46926 [2,0,0,0,0,0|2,0,0]=4 872 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [2,0,0,0,0,0|2,0,0]=4 873 B8R1.4 c1cc(cc(c1)I)F TS70597 [2,0,0,0,0,0|2,0,0]=4 874 B8R1.4 c1cc(cc(c1)I)I TS65281 [2,0,0,0,0,0|2,0,0]=4 875 B8R1.4 c1cc(cc(c1)I)N TS39444 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.4 c1cc(cc(c1)I)O TS49693 [2,0,0,0,0,0|1,0,0]=3 877 B8R1.4 c1cc(cc(c1)N)N TS31777 [2,0,0,0,0,0|2,0,0]=4 878 B8R1.4 c1cc(cc(c1)N)N TS38980 [2,0,0,0,0,0|2,0,0]=4 879 B8R1.4 c1cc(cc(c1)N)N TS48030 [2,0,0,0,0,0|2,0,0]=4 880 B8R1.4 c1cc(cc(c1)O)N TS07147 [2,0,0,0,0,0|1,0,0]=3 881 B8R1.4 c1cc(cc(c1)O)N TS39704 [2,0,0,0,0,0|1,0,0]=3 882 B8R1.4 c1cc(cc(c1)O)O TS04191 [2,0,0,0,0,0|1,0,0]=3 883 B8R1.4 c1cc(cc(c1)S)F TS02772 [2,0,0,0,0,0|1,1,0]=4 884 B8R1.4 c1cc(cc(c1)S)N TS05107 [2,0,0,0,0,0|1,1,0]=4 885 B8R1.4 c1cc(cc(c1)S)O TS00159 [2,0,0,0,0,0|1,0,0]=3 886 B8R1.4 c1cc(cc(c1)S)S TS06771 [2,0,0,0,0,0|1,1,0]=4 887 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [2,0,0,0,0,0|2,0,0]=4 888 B8R1.4 c1cc(cn(=O)c1)O TS04234 [2,0,0,0,0,0|2,0,0]=4 889 B8R1.4 c1cc(nc(c1)Br)O TS08364 [2,0,0,0,0,0|2,0,0]=4 890 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.4 c1cc(nc(c1)F)O TS32004 [2,0,0,0,0,0|2,0,0]=4 892 B8R1.4 c1cc(nc(c1)O)N TS00808 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.4 c1cc(nc(c1)O)O TS07388 [2,0,0,0,0,0|2,0,0]=4 894 B8R1.4 c1cc(nc(c1)O)O TS47313 [2,0,0,0,0,0|2,0,0]=4 895 B8R1.4 c1cnc(cc1Br)O TS70957 [2,0,0,0,0,0|2,0,0]=4 896 B8R1.4 c1cnc(cc1Cl)O TS03047 [2,0,0,0,0,0|2,0,0]=4 897 B8R1.4 c1cnc(cc1F)O TS32002 [2,0,0,0,0,0|2,0,0]=4 898 B8R1.4 c1cnc(cc1N)O TS02965 [2,0,0,0,0,0|2,0,0]=4 899 B8R1.4 c1cnc(cc1N)O TS86931 [2,0,0,0,0,0|2,0,0]=4 900 B8R1.4 c1cnc(cc1O)Br TS08324 [2,0,0,0,0,0|2,0,0]=4 901 B8R1.4 c1cnc(cc1O)Cl TS55220 [2,0,0,0,0,0|2,0,0]=4 902 B8R1.4 c1cnc(cc1O)F TS32003 [2,0,0,0,0,0|2,0,0]=4 903 B8R1.4 c1cnc(cc1O)N TS47399 [2,0,0,0,0,0|2,0,0]=4 904 B8R1.4 c1cnc(cc1O)O TS04243 [2,0,0,0,0,0|2,0,0]=4 905 B8R1.5 C[n+]1ccccc1Cl TS08381 [2,0,0,0,0,0|2,0,0]=4 906 B8R1.5 C[n+]1ccccc1Cl TS20654 [2,0,0,0,0,0|2,0,0]=4 907 B8R1.5 Cc1c(cccn1)Br TS65908 [2,0,0,0,0,0|2,0,0]=4 908 B8R1.5 Cc1c(cccn1)Cl TS65978 [2,0,0,0,0,0|2,0,0]=4 909 B8R1.5 Cc1c(cccn1)F TS70573 [2,0,0,0,0,0|2,0,0]=4 910 B8R1.5 Cc1c(cccn1)I TS02809 [2,0,0,0,0,0|2,0,0]=4 911 B8R1.5 Cc1c(cccn1)N TS31778 [2,0,0,0,0,0|2,0,0]=4 912 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|1,0,0]=3 913 B8R1.5 Cc1c(nccn1)C TS47169 [2,0,0,0,0,0|2,0,0]=4 914 B8R1.5 Cc1c(nccn1)O TS55386 [2,0,0,0,0,0|2,0,0]=4 915 B8R1.5 Cc1ccc[nH]c1=O TS55401 [2,0,0,0,0,0|1,0,1]=4 916 B8R1.5 Cc1cccc[n+]1C TS25681 [2,0,0,0,0,0|1,0,0]=3 917 B8R1.5 Cc1ccccc1Br TS00024 [2,0,0,0,0,0|1,0,0]=3 918 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|0,0,0]=2 919 B8R1.5 Cc1ccccc1Cl TS36192 [2,0,0,0,0,0|1,0,0]=3 920 B8R1.5 Cc1ccccc1F TS31828 [2,0,0,0,0,0|1,0,0]=3 921 B8R1.5 Cc1ccccc1I TS49343 [2,0,0,0,0,0|1,0,0]=3 922 B8R1.5 Cc1ccccc1N TS40130 [2,0,0,0,0,0|1,0,0]=3 923 B8R1.5 Cc1ccccc1N TS46845 [2,0,0,0,0,0|1,0,0]=3 924 B8R1.5 Cc1ccccc1O TS31768 [2,0,0,0,0,0|0,0,0]=2 925 B8R1.5 Cc1ccccc1S TS05037 [2,0,0,0,0,0|0,1,0]=3 926 B8R1.5 Cc1ccccn1=O TS00106 [2,0,0,0,0,0|1,0,1]=4 927 B8R1.5 Cc1cccnc1Br TS08310 [2,0,0,0,0,0|2,0,0]=4 928 B8R1.5 Cc1cccnc1C TS07903 [2,0,0,0,0,0|1,0,0]=3 929 B8R1.5 Cc1cccnc1Cl TS55203 [2,0,0,0,0,0|2,0,0]=4 930 B8R1.5 Cc1cccnc1F TS08402 [2,0,0,0,0,0|2,0,0]=4 931 B8R1.5 Cc1cccnc1I TS01069 [2,0,0,0,0,0|2,0,0]=4 932 B8R1.5 Cc1cccnc1N TS00720 [2,0,0,0,0,0|2,0,0]=4 933 B8R1.5 Cc1cccnc1N TS01794 [2,0,0,0,0,0|2,0,0]=4 934 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|1,0,0]=3 935 B8R1.5 Cc1cccnc1[Zn+] TS26092 [2,0,0,0,0,0|2,0,0]=4 936 B8R1.5 Cc1ccncc1Br TS09458 [2,0,0,0,0,0|2,0,0]=4 937 B8R1.5 Cc1ccncc1C TS00124 [2,0,0,0,0,0|1,0,0]=3 938 B8R1.5 Cc1ccncc1Cl TS65986 [2,0,0,0,0,0|2,0,0]=4 939 B8R1.5 Cc1ccncc1F TS70582 [2,0,0,0,0,0|2,0,0]=4 940 B8R1.5 Cc1ccncc1N TS02641 [2,0,0,0,0,0|2,0,0]=4 941 B8R1.5 Cc1ccncc1O TS03183 [2,0,0,0,0,0|1,0,0]=3 942 B8R1.5 Cc1cnccc1Br TS39326 [2,0,0,0,0,0|2,0,0]=4 943 B8R1.5 Cc1cnccc1Br TS88793 [2,0,0,0,0,0|2,0,0]=4 944 B8R1.5 Cc1cnccc1F TS71122 [2,0,0,0,0,0|2,0,0]=4 945 B8R1.5 Cc1cnccc1N TS70892 [2,0,0,0,0,0|2,0,0]=4 946 B8R1.5 Cc1cnccc1O TS70666 [2,0,0,0,0,0|1,0,0]=3 947 B8R1.5 Cc1cncnc1O TS59515 [2,0,0,0,0,0|2,0,0]=4 948 B8R1.5 Cn1ccccc1=O TS31799 [2,0,0,0,0,0|1,0,1]=4 949 B8R1.5 Cn1ccccc1=S TS05102 [2,0,0,0,0,0|1,1,0]=4 950 B8R1.5 c1cc(c(=O)oc1)O TS00155 [2,0,0,0,0,0|2,0,0]=4 951 B8R1.5 c1cc(c(nc1)Br)O TS08304 [2,0,0,0,0,0|2,0,0]=4 952 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [2,0,0,0,0,0|2,0,0]=4 953 B8R1.5 c1cc(c(nc1)F)O TS55326 [2,0,0,0,0,0|2,0,0]=4 954 B8R1.5 c1cc(c(nc1)I)O TS01068 [2,0,0,0,0,0|2,0,0]=4 955 B8R1.5 c1cc(c(nc1)N)O TS07282 [2,0,0,0,0,0|2,0,0]=4 956 B8R1.5 c1cc(c(nc1)N)O TS47366 [2,0,0,0,0,0|2,0,0]=4 957 B8R1.5 c1cc(c(nc1)O)Br TS09496 [2,0,0,0,0,0|2,0,0]=4 958 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [2,0,0,0,0,0|2,0,0]=4 959 B8R1.5 c1cc(c(nc1)O)F TS70564 [2,0,0,0,0,0|2,0,0]=4 960 B8R1.5 c1cc(c(nc1)O)N TS31820 [2,0,0,0,0,0|2,0,0]=4 961 B8R1.5 c1cc(c(nc1)O)O TS04242 [2,0,0,0,0,0|2,0,0]=4 962 B8R1.5 c1cc(c(nc1)S)O TS05265 [2,0,0,0,0,0|2,0,0]=4 963 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [2,0,0,0,0,0|2,0,0]=4 964 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [2,0,0,0,0,0|2,0,0]=4 965 B8R1.5 c1ccc(c(c1)Br)I TS65287 [2,0,0,0,0,0|2,0,0]=4 966 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [2,0,0,0,0,0|2,0,0]=4 967 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [2,0,0,0,0,0|2,0,0]=4 968 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [2,0,0,0,0,0|2,0,0]=4 969 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [2,0,0,0,0,0|2,0,0]=4 970 B8R1.5 c1ccc(c(c1)F)Br TS46916 [2,0,0,0,0,0|2,0,0]=4 971 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [2,0,0,0,0,0|2,0,0]=4 972 B8R1.5 c1ccc(c(c1)F)F TS07875 [2,0,0,0,0,0|2,0,0]=4 973 B8R1.5 c1ccc(c(c1)F)I TS65430 [2,0,0,0,0,0|2,0,0]=4 974 B8R1.5 c1ccc(c(c1)F)S TS46406 [2,0,0,0,0,0|1,1,0]=4 975 B8R1.5 c1ccc(c(c1)I)I TS65275 [2,0,0,0,0,0|2,0,0]=4 976 B8R1.5 c1ccc(c(c1)N)Br TS20655 [2,0,0,0,0,0|2,0,0]=4 977 B8R1.5 c1ccc(c(c1)N)Br TS55149 [2,0,0,0,0,0|2,0,0]=4 978 B8R1.5 c1ccc(c(c1)N)F TS39663 [2,0,0,0,0,0|2,0,0]=4 979 B8R1.5 c1ccc(c(c1)N)I TS01078 [2,0,0,0,0,0|2,0,0]=4 980 B8R1.5 c1ccc(c(c1)N)N TS31770 [2,0,0,0,0,0|2,0,0]=4 981 B8R1.5 c1ccc(c(c1)N)N TS38979 [2,0,0,0,0,0|2,0,0]=4 982 B8R1.5 c1ccc(c(c1)N)N TS48029 [2,0,0,0,0,0|2,0,0]=4 983 B8R1.5 c1ccc(c(c1)N)O TS00817 [2,0,0,0,0,0|1,0,0]=3 984 B8R1.5 c1ccc(c(c1)N)O TS07143 [2,0,0,0,0,0|1,0,0]=3 985 B8R1.5 c1ccc(c(c1)N)O TS76832 [2,0,0,0,0,0|1,0,0]=3 986 B8R1.5 c1ccc(c(c1)N)S TS47467 [2,0,0,0,0,0|1,1,0]=4 987 B8R1.5 c1ccc(c(c1)O)Br TS00855 [2,0,0,0,0,0|1,0,0]=3 988 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [2,0,0,0,0,0|1,0,0]=3 989 B8R1.5 c1ccc(c(c1)O)F TS04282 [2,0,0,0,0,0|1,0,0]=3 990 B8R1.5 c1ccc(c(c1)O)I TS49691 [2,0,0,0,0,0|1,0,0]=3 991 B8R1.5 c1ccc(c(c1)O)O TS01670 [2,0,0,0,0,0|1,0,0]=3 992 B8R1.5 c1ccc(c(c1)O)S TS36136 [2,0,0,0,0,0|1,0,0]=3 993 B8R1.5 c1ccc(c(c1)P)P TS06642 [2,0,0,0,0,0|2,0,0]=4 994 B8R1.5 c1ccc(c(c1)S)Br TS50856 [2,0,0,0,0,0|1,1,0]=4 995 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [2,0,0,0,0,0|1,1,0]=4 996 B8R1.5 c1ccc(c(c1)S)S TS06772 [2,0,0,0,0,0|1,1,0]=4 997 B8R1.5 c1ccn(=O)c(c1)O TS04239 [2,0,0,0,0,0|2,0,0]=4 998 B8R1.5 c1cncc(c1Br)O TS09582 [2,0,0,0,0,0|2,0,0]=4 999 B8R1.5 c1cncc(c1Cl)O TS09640 [2,0,0,0,0,0|2,0,0]=4 1000 B8R1.5 c1cncc(c1O)Br TS09465 [2,0,0,0,0,0|2,0,0]=4 1001 B8R1.5 c1cncc(c1O)Cl TS02695 [2,0,0,0,0,0|2,0,0]=4 1002 B8R1.5 c1cncc(c1O)F TS02748 [2,0,0,0,0,0|2,0,0]=4 1003 B8R1.5 c1cncc(c1O)N TS65860 [2,0,0,0,0,0|2,0,0]=4 1004 B8R1.5 c1cncc(c1O)O TS59374 [2,0,0,0,0,0|2,0,0]=4 1005 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [2,0,0,0,0,0|2,0,0]=4 1006 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [2,0,0,0,0,0|2,0,0]=4 1007 B8R1.3 Cc1cc[n+](cc1)C TS25680 [2,0,0,0,0,0|1,0,0]=3 1008 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [2,0,0,0,0,0|2,0,0]=4 1009 B8R1.3 Cc1ccc(cc1)Br TS09620 [2,0,0,0,0,0|1,0,0]=3 1010 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|0,0,0]=2 1011 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|0,0,0]=2 1012 B8R1.3 Cc1ccc(cc1)Cl TS39593 [2,0,0,0,0,0|1,0,0]=3 1013 B8R1.3 Cc1ccc(cc1)F TS31829 [2,0,0,0,0,0|1,0,0]=3 1014 B8R1.3 Cc1ccc(cc1)I TS07804 [2,0,0,0,0,0|1,0,0]=3 1015 B8R1.3 Cc1ccc(cc1)I TS67797 [2,0,0,0,0,0|1,0,0]=3 1016 B8R1.3 Cc1ccc(cc1)N TS04112 [2,0,0,0,0,0|1,0,0]=3 1017 B8R1.3 Cc1ccc(cc1)N TS40127 [2,0,0,0,0,0|1,0,0]=3 1018 B8R1.3 Cc1ccc(cc1)O TS05157 [2,0,0,0,0,0|1,0,0]=3 1019 B8R1.3 Cc1ccc(cc1)O TS94395 [2,0,0,0,0,0|1,0,0]=3 1020 B8R1.3 Cc1ccc(cc1)P TS32593 [2,0,0,0,0,0|1,0,0]=3 1021 B8R1.3 Cc1ccc(cc1)S TS39763 [2,0,0,0,0,0|1,0,0]=3 1022 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [2,0,0,0,0,0|0,1,0]=3 1023 B8R1.3 Cc1ccc(cn1)Br TS09799 [2,0,0,0,0,0|2,0,0]=4 1024 B8R1.3 Cc1ccc(cn1)Cl TS71507 [2,0,0,0,0,0|2,0,0]=4 1025 B8R1.3 Cc1ccc(cn1)F TS03302 [2,0,0,0,0,0|2,0,0]=4 1026 B8R1.3 Cc1ccc(cn1)I TS71574 [2,0,0,0,0,0|2,0,0]=4 1027 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|2,0,0]=4 1028 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|2,0,0]=4 1029 B8R1.3 Cc1ccc(nc1)Br TS55127 [2,0,0,0,0,0|2,0,0]=4 1030 B8R1.3 Cc1ccc(nc1)C TS47280 [2,0,0,0,0,0|1,0,0]=3 1031 B8R1.3 Cc1ccc(nc1)Cl TS00914 [2,0,0,0,0,0|2,0,0]=4 1032 B8R1.3 Cc1ccc(nc1)F TS01010 [2,0,0,0,0,0|2,0,0]=4 1033 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|2,0,0]=4 1034 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|2,0,0]=4 1035 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|2,0,0]=4 1036 B8R1.3 Cc1ccc(nc1)S TS05105 [2,0,0,0,0,0|2,0,0]=4 1037 B8R1.3 Cc1ccc(nn1)C TS94711 [2,0,0,0,0,0|2,0,0]=4 1038 B8R1.3 Cc1ccn(=O)cc1 TS09774 [2,0,0,0,0,0|2,0,0]=4 1039 B8R1.3 Cc1cnc(cn1)C TS47279 [2,0,0,0,0,0|2,0,0]=4 1040 B8R1.3 c1cc(ccc1Br)Br TS07885 [2,0,0,0,0,0|2,0,0]=4 1041 B8R1.3 c1cc(ccc1Br)I TS00413 [2,0,0,0,0,0|2,0,0]=4 1042 B8R1.3 c1cc(ccc1Cl)Br TS09601 [2,0,0,0,0,0|2,0,0]=4 1043 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [2,0,0,0,0,0|2,0,0]=4 1044 B8R1.3 c1cc(ccc1Cl)I TS64993 [2,0,0,0,0,0|2,0,0]=4 1045 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [2,0,0,0,0,0|2,0,0]=4 1046 B8R1.3 c1cc(ccc1F)Br TS09602 [2,0,0,0,0,0|2,0,0]=4 1047 B8R1.3 c1cc(ccc1F)Cl TS09203 [2,0,0,0,0,0|2,0,0]=4 1048 B8R1.3 c1cc(ccc1F)F TS59891 [2,0,0,0,0,0|2,0,0]=4 1049 B8R1.3 c1cc(ccc1F)I TS39508 [2,0,0,0,0,0|2,0,0]=4 1050 B8R1.3 c1cc(ccc1F)S TS05333 [2,0,0,0,0,0|2,0,0]=4 1051 B8R1.3 c1cc(ccc1F)S TS12288 [2,0,0,0,0,0|2,0,0]=4 1052 B8R1.3 c1cc(ccc1I)I TS46809 [2,0,0,0,0,0|2,0,0]=4 1053 B8R1.3 c1cc(ccc1N)Br TS70992 [2,0,0,0,0,0|2,0,0]=4 1054 B8R1.3 c1cc(ccc1N)Cl TS42659 [2,0,0,0,0,0|2,0,0]=4 1055 B8R1.3 c1cc(ccc1N)Cl TS71059 [2,0,0,0,0,0|2,0,0]=4 1056 B8R1.3 c1cc(ccc1N)F TS71137 [2,0,0,0,0,0|2,0,0]=4 1057 B8R1.3 c1cc(ccc1N)I TS71193 [2,0,0,0,0,0|2,0,0]=4 1058 B8R1.3 c1cc(ccc1N)N TS38978 [2,0,0,0,0,0|2,0,0]=4 1059 B8R1.3 c1cc(ccc1N)O TS07145 [2,0,0,0,0,0|2,0,0]=4 1060 B8R1.3 c1cc(ccc1N)O TS59709 [2,0,0,0,0,0|2,0,0]=4 1061 B8R1.3 c1cc(ccc1N)S TS39734 [2,0,0,0,0,0|2,0,0]=4 1062 B8R1.3 c1cc(ccc1O)Cl TS36377 [2,0,0,0,0,0|2,0,0]=4 1063 B8R1.3 c1cc(ccc1O)Cl TS40947 [2,0,0,0,0,0|2,0,0]=4 1064 B8R1.3 c1cc(ccc1O)F TS33165 [2,0,0,0,0,0|2,0,0]=4 1065 B8R1.3 c1cc(ccc1O)I TS59518 [2,0,0,0,0,0|2,0,0]=4 1066 B8R1.3 c1cc(ccc1O)O TS01676 [2,0,0,0,0,0|2,0,0]=4 1067 B8R1.3 c1cc(ccc1O)O TS02292 [2,0,0,0,0,0|2,0,0]=4 1068 B8R1.3 c1cc(ccc1O)O TS24537 [2,0,0,0,0,0|2,0,0]=4 1069 B8R1.3 c1cc(ccc1O)S TS36138 [2,0,0,0,0,0|2,0,0]=4 1070 B8R1.3 c1cc(ccc1S)Br TS39741 [2,0,0,0,0,0|2,0,0]=4 1071 B8R1.3 c1cc(ccc1S)Cl TS07052 [2,0,0,0,0,0|2,0,0]=4 1072 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [2,0,0,0,0,0|2,0,0]=4 1073 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.2 CCc1cccc(c1C)C TS36862 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.2 CCc1cccc(c1O)C TS06085 [1,1,0,0,0,0|0,0,0]=2 1076 B10R1.2 COc1cccc(c1Br)F TS08297 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.2 COc1cccc(c1Br)N TS39650 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.2 COc1cccc(c1Br)O TS38374 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.2 COc1cccc(c1Cl)N TS55195 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.2 COc1cccc(c1F)Br TS65479 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.2 COc1cccc(c1F)Cl TS42232 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.2 COc1cccc(c1F)F TS02338 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.2 COc1cccc(c1F)O TS37550 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.2 COc1cccc(c1I)F TS09365 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.2 COc1cccc(c1N)F TS55365 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.2 COc1cccc(c1O)Br TS87716 [1,1,0,0,0,0|1,0,0]=3 1088 B10R1.2 COc1cccc(c1O)F TS65426 [1,1,0,0,0,0|1,0,0]=3 1089 B10R1.2 COc1cccc(c1O)O TS60018 [1,1,0,0,0,0|1,0,0]=3 1090 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.2 Cc1c(cccc1Cl)C#N TS41068 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.2 Cc1c(cccc1F)C#N TS08978 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.2 Cc1c(cccc1F)C=O TS08977 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.2 Cc1c(cccc1F)CO TS09370 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.2 Cc1c(cccc1N)CO TS37119 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.2 Cc1cccc(c1C)C#N TS05675 [1,1,0,0,0,0|1,0,0]=3 1100 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,1,0,0,0,0|0,0,1]=3 1101 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|0,0,0]=2 1105 B10R1.2 Cc1cccc(c1C)NN TS13271 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.2 Cc1cccc(c1C)NN TS51214 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,1,0,0,0,0|0,0,0]=2 1108 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.2 Cc1cccc(c1F)C#N TS02161 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.2 Cc1cccc(c1F)CBr TS09289 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.2 Cc1cccc(c1N)OC TS01100 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,1,0,0,0,0|0,0,1]=3 1114 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,1,0,0,0,0|0,0,0]=2 1115 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.2 Cc1ccnc(c1N)OC TS06277 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.2 Cn1cccc(c1=O)CN TS89038 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.2 Cn1cccc(c1=O)CO TS86425 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.2 c1cc(c(c(c1)O)F)C#N TS65413 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [1,1,0,0,0,0|1,0,1]=4 1141 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.22 CC1=CC(=O)C=C(C1=O)C TS00701 [1,1,0,0,0,0|0,0,1]=3 1143 B10R1.22 Cc1c(cc(cc1Br)Br)Br TS63567 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.22 Cc1c(cc(cc1Br)N)Br TS08848 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.22 Cc1c(cc(cc1Br)O)Br TS07731 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.22 Cc1c(cc(cc1F)F)F TS65335 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.22 Cc1c(cc(cc1O)O)O TS37338 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.22 Cc1c(nc(nc1O)N)C TS37286 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.22 Cc1c(oc(=O)cc1O)C TS22853 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS24301 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS58008 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.22 Cc1cc(c(c(c1)Br)F)C TS19505 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.22 Cc1cc(c(c(c1)Br)N)C TS55093 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.22 Cc1cc(c(c(c1)Br)O)Br TS73451 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.22 Cc1cc(c(c(c1)C)Br)C TS39648 [1,1,0,0,0,0|1,0,0]=3 1157 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.22 Cc1cc(c(c(c1)C)Cl)C TS41468 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.22 Cc1cc(c(c(c1)C)F)C TS06285 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.22 Cc1cc(c(c(c1)C)I)C TS27404 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.22 Cc1cc(c(c(c1)C)N)C TS36959 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.22 Cc1cc(c(c(c1)C)S)C TS41193 [1,1,0,0,0,0|0,1,0]=3 1163 B10R1.22 Cc1cc(c(c(c1)Cl)N)C TS41560 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl TS13960 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.22 Cc1cc(c(c(c1)I)I)C TS66275 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.22 Cc1cc(c(c(c1)I)N)C TS27557 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [1,1,0,0,0,0|1,0,0]=3 1168 B10R1.22 Cc1cc(c(c(c1)N)N)C TS37045 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [1,1,0,0,0,0|0,0,0]=2 1171 B10R1.22 Cc1cc(c(c(c1)O)C)O TS06263 [1,1,0,0,0,0|1,0,0]=3 1172 B10R1.22 Cc1cc(c(c(c1)O)Cl)C TS41728 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.22 Cc1cc(c(c(c1)O)O)O TS06435 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.22 Cc1cc(cc(c1Br)C)O TS16766 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.22 Cc1cc(cc(c1C)C)N TS36941 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.22 Cc1cc(cc(c1C)C)O TS06086 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [1,1,0,0,0,0|0,0,0]=2 1178 B10R1.22 Cc1cc(cc(c1Cl)C)Br TS49665 [1,1,0,0,0,0|1,0,0]=3 1179 B10R1.22 Cc1cc(cc(c1Cl)C)F TS09280 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.22 Cc1cc(cc(c1Cl)C)O TS71031 [1,1,0,0,0,0|1,0,0]=3 1181 B10R1.22 Cc1cc(cc(c1F)C)Br TS71422 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.22 Cc1cc(cc(c1F)C)N TS37291 [1,1,0,0,0,0|1,0,0]=3 1183 B10R1.22 Cc1cc(cc(c1F)F)F TS65310 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.22 Cc1cc(cc(c1I)C)Br TS09785 [1,1,0,0,0,0|1,0,0]=3 1185 B10R1.22 Cc1cc(cc(c1I)C)I TS66271 [1,1,0,0,0,0|1,0,0]=3 1186 B10R1.22 Cc1cc(cc(c1I)C)N TS71190 [1,1,0,0,0,0|1,0,0]=3 1187 B10R1.22 Cc1cc(cc(c1I)C)O TS16727 [1,1,0,0,0,0|1,0,0]=3 1188 B10R1.22 Cc1cc(cc(c1I)Cl)Cl TS35012 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.22 Cc1cc(cc(c1I)O)Cl TS73798 [1,1,0,0,0,0|1,0,0]=3 1190 B10R1.22 Cc1cc(cc(c1N)Br)Br TS09264 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.22 Cc1cc(cc(c1N)Br)F TS55103 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.22 Cc1cc(cc(c1N)C)Br TS37845 [1,1,0,0,0,0|1,0,0]=3 1193 B10R1.22 Cc1cc(cc(c1N)C)Cl TS51404 [1,1,0,0,0,0|1,0,0]=3 1194 B10R1.22 Cc1cc(cc(c1N)C)Cl TS60056 [1,1,0,0,0,0|1,0,0]=3 1195 B10R1.22 Cc1cc(cc(c1N)C)F TS37289 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.22 Cc1cc(cc(c1N)C)I TS27561 [1,1,0,0,0,0|1,0,0]=3 1197 B10R1.22 Cc1cc(cc(c1N)C)O TS06189 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.22 Cc1cc(cc(c1N)Cl)Cl TS46042 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.22 Cc1cc(cc(c1N)N)Br TS08702 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.22 Cc1cc(cc(c1O)Br)Br TS73452 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.22 Cc1cc(cc(c1O)C)Br TS38039 [1,1,0,0,0,0|0,0,0]=2 1202 B10R1.22 Cc1cc(cc(c1O)C)Cl TS41719 [1,1,0,0,0,0|0,0,0]=2 1203 B10R1.22 Cc1cc(cc(c1O)C)F TS37368 [1,1,0,0,0,0|0,0,0]=2 1204 B10R1.22 Cc1cc(cc(c1O)C)I TS62511 [1,1,0,0,0,0|0,0,0]=2 1205 B10R1.22 Cc1cc(cc(c1O)C)O TS32897 [1,1,0,0,0,0|0,0,0]=2 1206 B10R1.22 Cc1cc(cc(c1O)Cl)Br TS50007 [1,1,0,0,0,0|1,0,0]=3 1207 B10R1.22 Cc1cc(cc(c1O)Cl)Cl TS13954 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.22 Cc1cc(nc(c1C)O)O TS06372 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.22 c1c(cc(c(c1Br)O)Br)Br TS77913 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.22 c1c(cc(c(c1Br)O)Br)F TS65353 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS30356 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS83137 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.22 c1c(cc(c(c1Br)O)Br)O TS73692 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.22 c1c(cc(c(c1Cl)O)Br)Cl TS57628 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Br TS01805 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS18506 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS49659 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F TS14715 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS69386 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS70867 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.22 c1c(cc(c(c1Cl)O)Cl)O TS14334 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.22 c1c(cc(c(c1F)O)Br)Br TS73942 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.22 c1c(cc(c(c1F)O)Br)F TS43579 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.22 c1c(cc(c(c1F)O)Cl)Br TS16929 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.22 c1c(cc(c(c1F)O)F)Br TS34643 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.22 c1c(cc(c(c1F)O)F)F TS65333 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.22 c1c(cc(c(c1F)O)F)N TS70870 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.22 c1c(cc(c(c1I)O)I)I TS72266 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.22 c1c(cc(c(c1I)O)I)O TS66458 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl TS22988 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.22 c1c(cc(c(c1N)O)F)Br TS38917 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.22 c1c(cc(c(c1N)O)F)F TS07070 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.22 c1c(cc(c(c1O)Br)F)F TS43578 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.22 c1c(cc(c(c1O)Cl)Cl)Cl TS85184 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.22 c1c(cc(c(c1O)F)F)Br TS39524 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.22 c1c(cc(c(c1O)F)F)F TS85185 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.22 c1c(cc(c(c1O)I)Cl)Cl TS57983 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.245 CCc1c(cccc1C)C TS36867 [1,1,0,0,0,0|1,0,0]=3 1239 B10R1.245 CNc1c(cccc1F)F TS93898 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.245 COc1c(cccc1Br)Br TS65354 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.245 COc1c(cccc1Br)F TS65034 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.245 COc1c(cccc1Cl)F TS42231 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.245 COc1c(cccc1F)F TS09248 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.245 COc1c(cccc1F)N TS70568 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.245 COc1c(cccc1I)F TS65422 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.245 COc1c(cccc1O)O TS37340 [1,1,0,0,0,0|1,0,0]=3 1248 B10R1.245 C[n+]1cccc(c1C=O)O TS50820 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.245 Cc1cccc(c1C#N)C TS05674 [1,1,0,0,0,0|1,0,0]=3 1252 B10R1.245 Cc1cccc(c1C#N)F TS55368 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.245 Cc1cccc(c1C#N)N TS39260 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.245 Cc1cccc(c1C#N)O TS16697 [1,1,0,0,0,0|0,0,1]=3 1255 B10R1.245 Cc1cccc(c1C=C)C TS36710 [1,1,0,0,0,0|1,0,0]=3 1256 B10R1.245 Cc1cccc(c1C=O)C TS47323 [1,1,0,0,0,0|0,0,1]=3 1257 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.245 Cc1cccc(c1CBr)C TS47325 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.245 Cc1cccc(c1CCl)C TS47326 [1,1,0,0,0,0|1,0,0]=3 1260 B10R1.245 Cc1cccc(c1CN)C TS36957 [1,1,0,0,0,0|1,0,0]=3 1261 B10R1.245 Cc1cccc(c1CO)C TS06075 [1,1,0,0,0,0|0,0,0]=2 1262 B10R1.245 Cc1cccc(c1NN)C TS13272 [1,1,0,0,0,0|1,0,0]=3 1263 B10R1.245 Cc1cccc(c1OC)C TS09255 [1,1,0,0,0,0|0,0,0]=2 1264 B10R1.245 Cc1cccc(c1SC)C TS41197 [1,1,0,0,0,0|0,1,0]=3 1265 B10R1.245 Cc1cccc(c1[N+]#[C-])C TS05670 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.245 Cc1ccnc(c1C#N)O TS36817 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.245 Cc1cncc(c1C=O)C TS36920 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.245 Cc1cncc(c1CO)C TS06185 [1,1,0,0,0,0|1,0,0]=3 1269 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [1,1,0,0,0,0|1,0,1]=4 1270 B10R1.245 c1cc(c(c(c1)Br)CBr)Cl TS08815 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.245 c1cc(c(c(c1)Br)CBr)F TS30473 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl TS65356 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.245 c1cc(c(c(c1)Cl)CBr)F TS65404 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl TS52073 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.245 c1cc(c(c(c1)Cl)CCl)F TS47664 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl TS13766 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.245 c1cc(c(c(c1)Cl)CN)F TS11186 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.245 c1cc(c(c(c1)Cl)CS)F TS46193 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.245 c1cc(c(c(c1)F)CBr)F TS34656 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.245 c1cc(c(c(c1)F)CCl)F TS09249 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.245 c1cc(c(c(c1)F)CN)F TS34655 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F TS33415 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|0,0,0]=2 1296 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.25 COc1ccc(cc1F)F TS09234 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.25 COc1ccc(cc1F)N TS02745 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.25 COc1ccc(cc1F)O TS02753 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.25 COc1ccc(cc1F)S TS10975 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.25 COc1ccc(cc1I)N TS39440 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.25 COc1ccc(cc1I)N TS54863 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.25 COc1ccc(cc1N)F TS07833 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.25 COc1ccc(cc1N)I TS65363 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.25 COc1ccc(cc1N)N TS37199 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.25 COc1ccc(cc1N)N TS43949 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.25 COc1ccc(cc1N)N TS56780 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,1,0,0,0,0|1,0,0]=3 1327 B10R1.25 COc1ccc(cc1O)F TS07835 [1,1,0,0,0,0|1,0,0]=3 1328 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.25 COc1ccc(cc1O)O TS06433 [1,1,0,0,0,0|1,0,0]=3 1330 B10R1.25 COc1ccc(cc1S)F TS10974 [1,1,0,0,0,0|1,1,0]=4 1331 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.25 Cc1c(ccc(n1)F)CO TS06581 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [1,1,0,0,0,0|1,0,1]=4 1338 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [1,1,0,0,0,0|1,0,1]=4 1340 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,1,0,0,0,0|1,0,0]=3 1342 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|1,0,0]=3 1344 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.25 Cc1cc(ccc1NN)F TS37376 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,1,0,0,0,0|1,0,0]=3 1347 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,1,0,0,0,0|1,0,0]=3 1348 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,1,0,0,0,0|1,0,0]=3 1349 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.25 Cc1cc(cnc1OC)F TS39347 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,1,0,0,0,0|1,0,1]=4 1359 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,1,0,0,0,0|1,0,0]=3 1360 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [1,1,0,0,0,0|0,0,1]=3 1362 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,1,0,0,0,0|0,0,1]=3 1363 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,1,0,0,0,0|0,0,1]=3 1364 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,1,0,0,0,0|0,0,0]=2 1365 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,1,0,0,0,0|0,0,0]=2 1366 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,1,0,0,0,0|0,0,0]=2 1367 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|0,0,0]=2 1368 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [1,1,0,0,0,0|1,0,0]=3 1369 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|0,0,0]=2 1370 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,1,0,0,0,0|1,0,0]=3 1377 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,1,0,0,0,0|1,0,0]=3 1380 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,1,0,0,0,0|0,0,1]=3 1381 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|0,0,1]=3 1382 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|0,0,0]=2 1383 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,1,0,0,0,0|1,0,1]=4 1385 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [1,1,0,0,0,0|1,0,0]=3 1386 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|2,0,0]=4 1391 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [1,1,0,0,0,0|1,0,1]=4 1393 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,1,0,0,0,0|1,0,1]=4 1394 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,1,0,0,0,0|1,0,1]=4 1405 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|1,0,0]=3 1422 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,1,0,0,0,0|0,0,0]=2 1425 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,1,0,0,0,0|2,0,0]=4 1441 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.30 COc1cc(ccc1F)F TS65344 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.30 COc1cc(ccc1N)F TS93806 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.30 COc1cc(ccc1N)N TS56779 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.30 COc1cc(ccc1O)F TS37549 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.30 COc1cc(ccc1O)O TS37335 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [1,1,0,0,0,0|0,0,1]=3 1453 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [1,1,0,0,0,0|0,0,1]=3 1454 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [1,1,0,0,0,0|0,0,1]=3 1458 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [1,1,0,0,0,0|0,0,1]=3 1459 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [1,1,0,0,0,0|0,0,1]=3 1460 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,1,0,0,0,0|0,0,0]=2 1463 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,1,0,0,0,0|0,0,0]=2 1464 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,1,0,0,0,0|0,0,0]=2 1465 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|0,0,0]=2 1466 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [1,1,0,0,0,0|1,0,0]=3 1467 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,1,0,0,0,0|0,0,0]=2 1469 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,1,0,0,0,0|1,0,0]=3 1470 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,1,0,0,0,0|1,0,0]=3 1471 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [1,1,0,0,0,0|1,0,1]=4 1477 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [1,1,0,0,0,0|1,0,1]=4 1478 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [1,1,0,0,0,0|1,0,1]=4 1479 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [1,1,0,0,0,0|1,0,1]=4 1480 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [1,1,0,0,0,0|1,0,1]=4 1481 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [1,1,0,0,0,0|1,0,1]=4 1482 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [1,1,0,0,0,0|1,0,0]=3 1483 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [1,1,0,0,0,0|1,0,0]=3 1484 B10R1.30 Cc1ccc(cc1CN)F TS37290 [1,1,0,0,0,0|1,0,0]=3 1485 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,1,0,0,0,0|1,0,0]=3 1486 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.30 Cc1ccc(cc1NN)F TS03301 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,1,0,0,0,0|1,0,0]=3 1489 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,1,0,0,0,0|1,0,0]=3 1490 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,1,0,0,0,0|1,0,0]=3 1491 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.118 CC1=CC(=O)C(=CC1=O)Br TS19139 [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.118 CC1=CC(=O)C(=CC1=O)C TS36987 [1,1,0,0,0,0|0,0,1]=3 1522 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl TS10786 [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.118 Cc1c(cc(c(n1)C)Br)Br TS47318 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.118 Cc1c(cc(c(n1)O)Br)Br TS30358 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.118 Cc1c(nc(c(n1)C)C)C TS32734 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.118 Cc1c(nc(c(n1)C)C)C TS94762 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.118 Cc1cc(c(cc1Br)Br)Br TS63566 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.118 Cc1cc(c(cc1Br)C)Br TS29981 [1,1,0,0,0,0|1,0,0]=3 1529 B10R1.118 Cc1cc(c(cc1Br)C)Cl TS49664 [1,1,0,0,0,0|1,0,0]=3 1530 B10R1.118 Cc1cc(c(cc1Br)C)N TS37846 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.118 Cc1cc(c(cc1Br)C)O TS38038 [1,1,0,0,0,0|0,0,0]=2 1532 B10R1.118 Cc1cc(c(cc1Br)F)Br TS30469 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.118 Cc1cc(c(cc1Br)F)F TS65109 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.118 Cc1cc(c(cc1Br)F)N TS60047 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.118 Cc1cc(c(cc1C)Br)Br TS02895 [1,1,0,0,0,0|1,0,0]=3 1536 B10R1.118 Cc1cc(c(cc1C)C)C TS36865 [1,1,0,0,0,0|0,0,0]=2 1537 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [1,1,0,0,0,0|1,0,0]=3 1538 B10R1.118 Cc1cc(c(cc1C)I)I TS66272 [1,1,0,0,0,0|1,0,0]=3 1539 B10R1.118 Cc1cc(c(cc1C)I)N TS27560 [1,1,0,0,0,0|1,0,0]=3 1540 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [1,1,0,0,0,0|1,0,0]=3 1541 B10R1.118 Cc1cc(c(cc1C)N)C TS06007 [1,1,0,0,0,0|0,0,0]=2 1542 B10R1.118 Cc1cc(c(cc1C)N)N TS65268 [1,1,0,0,0,0|1,0,0]=3 1543 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [1,1,0,0,0,0|0,0,0]=2 1544 B10R1.118 Cc1cc(c(cc1C)S)C TS41198 [1,1,0,0,0,0|0,0,0]=2 1545 B10R1.118 Cc1cc(c(cc1Cl)C)Cl TS02133 [1,1,0,0,0,0|1,0,0]=3 1546 B10R1.118 Cc1cc(c(cc1Cl)C)N TS41557 [1,1,0,0,0,0|1,0,0]=3 1547 B10R1.118 Cc1cc(c(cc1Cl)C)S TS13279 [1,1,0,0,0,0|0,1,0]=3 1548 B10R1.118 Cc1cc(c(cc1Cl)Cl)Cl TS52074 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.118 Cc1cc(c(cc1Cl)N)Br TS23184 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.118 Cc1cc(c(cc1Cl)N)N TS39217 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.118 Cc1cc(c(cc1Cl)N)O TS10910 [1,1,0,0,0,0|1,0,0]=3 1552 B10R1.118 Cc1cc(c(cc1F)Br)Br TS30470 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.118 Cc1cc(c(cc1F)Br)Cl TS08997 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.118 Cc1cc(c(cc1F)Br)I TS00006 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.118 Cc1cc(c(cc1F)Cl)Br TS50365 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.118 Cc1cc(c(cc1F)Cl)I TS30873 [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.118 Cc1cc(c(cc1F)Cl)N TS11184 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.118 Cc1cc(c(cc1F)I)Br TS76744 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.118 Cc1cc(c(cc1F)N)Br TS65378 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.118 Cc1cc(c(cc1I)C)I TS66273 [1,1,0,0,0,0|1,0,0]=3 1561 B10R1.118 Cc1cc(c(cc1I)C)N TS27556 [1,1,0,0,0,0|1,0,0]=3 1562 B10R1.118 Cc1cc(c(cc1I)C)O TS62514 [1,1,0,0,0,0|0,0,0]=2 1563 B10R1.118 Cc1cc(c(cc1N)Br)F TS07818 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.118 Cc1cc(c(cc1N)C)N TS37047 [1,1,0,0,0,0|1,0,0]=3 1565 B10R1.118 Cc1cc(c(cc1N)Cl)N TS41731 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.118 Cc1cc(c(cc1N)F)Br TS16771 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.118 Cc1cc(c(cc1N)N)C TS37028 [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.118 Cc1cc(c(cc1O)C)N TS70865 [1,1,0,0,0,0|0,0,0]=2 1569 B10R1.118 Cc1cc(c(cc1O)F)F TS39455 [1,1,0,0,0,0|1,0,0]=3 1570 B10R1.118 Cc1cc(c(cc1O)N)Cl TS10914 [1,1,0,0,0,0|1,0,0]=3 1571 B10R1.118 Cc1cc(c(cc1O)N)F TS39521 [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.118 c1c(c(cc(c1Br)F)Cl)O TS16980 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.118 c1c(c(cc(c1Br)O)Br)O TS30468 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)O TS57629 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS00577 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS22663 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.118 c1c(c(cc(c1Cl)O)Cl)N TS59925 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O TS47650 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.118 c1c(c(cc(c1F)Br)F)O TS43580 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.118 c1c(c(cc(c1F)F)Br)O TS59950 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.118 c1c(c(cc(c1F)F)F)O TS40588 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.118 c1c(c(cc(c1F)F)O)N TS00734 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.118 c1c(c(cc(c1F)O)F)N TS40276 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.118 c1c(c(cc(c1N)O)O)N TS37349 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N TS16360 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N TS44593 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.118 c1c(c(cc(c1O)Cl)Cl)O TS33145 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.118 c1c(c(cc(c1O)Cl)F)N TS39520 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.118 c1c(c(cc(c1O)N)O)N TS21439 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|0,0,0]=2 1591 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,1,0,0,0,0|1,0,0]=3 1592 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,1,0,0,0,0|1,0,0]=3 1593 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.176 CCc1cnc(c(n1)C)C TS37046 [1,1,0,0,0,0|2,0,0]=4 1595 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.176 COc1ccc(c(c1)F)F TS60319 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.176 COc1ccc(c(c1)F)N TS55333 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.176 COc1ccc(c(c1)I)N TS60298 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.176 COc1ccc(c(c1)N)F TS09302 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.176 COc1ccc(c(c1)N)N TS94383 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,1,0,0,0,0|2,0,0]=4 1615 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,1,0,0,0,0|1,0,0]=3 1616 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,1,0,0,0,0|1,0,0]=3 1617 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,1,0,0,0,0|1,0,0]=3 1618 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [1,1,0,0,0,0|1,0,0]=3 1626 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [1,1,0,0,0,0|1,0,0]=3 1630 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,1,0,0,0,0|1,0,0]=3 1634 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,1,0,0,0,0|1,0,0]=3 1635 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,1,0,0,0,0|1,0,0]=3 1636 B10R1.176 Cc1cc(ccc1F)OC TS60402 [1,1,0,0,0,0|1,0,0]=3 1637 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [1,1,0,0,0,0|1,0,1]=4 1638 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,1,0,0,0,0|1,0,0]=3 1639 B10R1.176 Cc1cc(ccn1=O)OC TS37281 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.176 Cc1cc(cnc1Cl)CO TS10913 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.176 Cc1cc(ncc1Br)OC TS85442 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.176 Cc1cc(ncc1F)OC TS06580 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.176 Cc1cc(ncc1N)OC TS37189 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [1,1,0,0,0,0|1,0,1]=4 1645 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,1,0,0,0,0|0,0,1]=3 1646 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|0,0,1]=3 1647 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|0,0,0]=2 1648 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|0,0,0]=2 1649 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|0,0,0]=2 1650 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,1,0,0,0,0|1,0,0]=3 1651 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|0,0,0]=2 1652 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [1,1,0,0,0,0|1,0,1]=4 1653 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [1,1,0,0,0,0|1,0,0]=3 1655 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [1,1,0,0,0,0|1,0,0]=3 1656 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,1,0,0,0,0|1,0,0]=3 1657 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [1,1,0,0,0,0|2,0,0]=4 1658 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [1,1,0,0,0,0|1,0,0]=3 1659 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [1,1,0,0,0,0|1,0,1]=4 1660 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [1,1,0,0,0,0|1,0,0]=3 1661 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [1,1,0,0,0,0|1,0,0]=3 1662 B10R1.176 Cc1ccc(cc1F)CN TS65517 [1,1,0,0,0,0|1,0,0]=3 1663 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,1,0,0,0,0|1,0,0]=3 1664 B10R1.176 Cc1ccc(cc1F)NN TS65519 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.176 Cc1ccc(cc1F)OC TS65516 [1,1,0,0,0,0|1,0,0]=3 1666 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [1,1,0,0,0,0|1,0,1]=4 1667 B10R1.176 Cc1ccc(cc1N)OC TS39535 [1,1,0,0,0,0|1,0,0]=3 1668 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,1,0,0,0,0|0,0,1]=3 1669 B10R1.176 Cn1cc(ccc1=O)CN TS86810 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.176 Cn1cc(ccc1=O)CO TS88694 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [1,1,0,0,0,0|1,0,1]=4 1673 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [1,1,0,0,0,0|1,0,1]=4 1674 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [1,1,0,0,0,0|1,0,1]=4 1675 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,1,0,0,0,0|1,0,1]=4 1677 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [1,1,0,0,0,0|2,0,0]=4 1679 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,1,0,0,0,0|2,0,0]=4 1687 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,1,0,0,0,0|1,0,0]=3 1693 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.191 CC1=C(C(=C(C1[K])C)C)C TS11318 [0,1,0,0,1,0|1,0,1]=4 1704 B10R1.191 CC1C(=C(C(=C1C)C)C)C TS06127 [0,1,0,0,1,0|1,0,1]=4 1705 B10R1.191 C[c-]1c(c(c(c1C)C)C)C TS11012 [0,1,0,0,1,0|1,0,1]=4 1706 B10R1.191 C[c-]1c(c(c(c1C)C)C)C TS13574 [0,1,0,0,1,0|1,0,1]=4 1707 B10R1.256 Cc1c(sc(c1C=O)C)C TS41404 [0,1,0,0,1,0|1,0,1]=4 1708 B12R1.98 CCc1c(cc(c(c1Cl)O)N)Cl TS26920 [0,2,0,0,0,0|2,0,0]=4 1709 B12R1.98 COc1c(cc(c(c1Br)O)Br)Br TS66402 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.98 Cc1c(cc(c(c1Br)OC)Br)Br TS79460 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.98 Cc1cc(c(c(c1Cl)C)C=O)O TS48656 [0,2,0,0,0,0|1,0,1]=4 1712 B12R1.705 Cc1cc(c(c(c1C)CCl)C)C TS15077 [0,2,0,0,0,0|1,0,0]=3 1713 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)C)C)C TS42739 [0,2,0,0,0,0|0,0,1]=3 1714 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)C)Cl TS19910 [0,2,0,0,0,0|1,0,1]=4 1715 B12R1.3795 Cc1c(c(c(c(c1Br)Br)Br)Br)C TS81716 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.3795 Cc1c(c(c(c(c1Br)Br)Br)Br)O TS69932 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.3795 Cc1c(c(c(c(c1Br)Br)C)Br)Br TS81718 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.3795 Cc1c(c(c(c(c1C)Br)Br)C)C TS46779 [0,2,0,0,0,0|1,0,0]=3 1719 B12R1.3795 Cc1c(c(c(c(c1C)C)Br)C)C TS24326 [0,2,0,0,0,0|1,0,0]=3 1720 B12R1.3795 Cc1c(c(c(c(c1C)C)C)C)C TS11625 [0,2,0,0,0,0|1,0,0]=3 1721 B12R1.3795 Cc1c(c(c(c(c1C)C)I)C)C TS74426 [0,2,0,0,0,0|1,0,0]=3 1722 B12R1.3795 Cc1c(c(c(c(c1C)I)I)C)C TS80558 [0,2,0,0,0,0|1,0,0]=3 1723 B12R1.3795 Cc1c(c(c(c(c1Cl)Cl)Cl)C)Cl TS27081 [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.3795 Cc1c(c(c(c(c1F)F)C)F)F TS14134 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.3795 Cc1c(c(c(c(c1I)C)C)I)C TS80557 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.3795 Cc1c(c(c(c(c1N)C)C)N)C TS11943 [0,2,0,0,0,0|1,0,0]=3 1727 B12R1.3795 Cc1c(c(c(c(c1O)C)C)O)C TS43113 [0,2,0,0,0,0|0,0,0]=2 1728 B12R1.652 Cc1c(c(c(cn1)CCl)CO)O TS15880 [0,2,0,0,0,0|1,0,0]=3 1729 B12R1.652 Cc1c(c(c(cn1)CO)C=O)O TS60162 [0,2,0,0,0,0|1,0,1]=4 1730 B12R1.652 Cc1c(c(c(cn1)CO)CN)O TS93861 [0,2,0,0,0,0|1,0,0]=3 1731 B12R1.652 Cc1c(c(c(cn1)CO)CO)O TS56031 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.652 Cc1c(c(c(cn1)CO)CO)O TS61211 [0,2,0,0,0,0|1,0,0]=3 1733 B12R1.652 Cc1c(c(ccn1=O)OC)OC TS44997 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.654 COc1ccc(c(c1O)C=O)Br TS53122 [0,2,0,0,0,0|1,0,1]=4 1735 B12R1.654 Cc1cnc(c(c1OC)C)CCl TS86924 [0,2,0,0,0,0|1,0,0]=3 1736 B12R1.654 Cc1cnc(c(c1OC)C)CO TS71210 [0,2,0,0,0,0|1,0,0]=3 1737 B12R1.741 COC1=C(C(=O)C=CC1=O)OC TS44829 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.741 COc1c(ccc(c1OC)O)O TS12775 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.894 B(c1c(ccc(c1Cl)C)Br)(O)O TS62724 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.894 B(c1c(ccc(c1Cl)C)Cl)(O)O TS40029 [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.894 B(c1c(ccc(c1Cl)C)F)(O)O TS46392 [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.894 B(c1c(ccc(c1F)C)Br)(O)O TS25317 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.894 B(c1c(ccc(c1F)C)Cl)(O)O TS46393 [0,2,0,0,0,0|2,0,0]=4 1744 B12R1.894 Cc1ccc(c(c1Br)C(=O)O)N TS24812 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.894 Cc1ccc(c(c1C(C)C)C)N TS11753 [0,2,0,0,0,0|2,0,0]=4 1746 B12R1.894 Cc1ccc(c(c1C)C(=O)C)C TS42484 [0,2,0,0,0,0|0,0,1]=3 1747 B12R1.894 Cc1ccc(c(c1Cl)C(=O)C)F TS49000 [0,2,0,0,0,0|2,0,0]=4 1748 B12R1.894 Cc1ccc(c(c1Cl)C(=O)O)F TS16085 [0,2,0,0,0,0|2,0,0]=4 1749 B12R1.894 Cc1ccc(c(c1F)C(=O)C)Cl TS48995 [0,2,0,0,0,0|2,0,0]=4 1750 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F TS45100 [0,2,0,0,0,0|2,0,0]=4 1751 B12R1.894 Cc1ccc(c(c1F)C(=O)O)Cl TS16081 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.894 Cc1ccc(c(c1F)C(=O)O)F TS45417 [0,2,0,0,0,0|2,0,0]=4 1753 B12R1.894 Cc1ccc(c(c1N)[N+](=O)[O-])C TS12208 [0,2,0,0,0,0|1,0,1]=4 1754 B12R1.894 Cc1ccn(=O)c(c1C(=O)O)C TS43212 [0,2,0,0,0,0|2,0,0]=4 1755 B12R1.653 COc1ccc(c(c1O)Cl)C=O TS15719 [0,2,0,0,0,0|1,0,1]=4 1756 B12R1.653 COc1ccc(c(c1O)O)C=O TS44826 [0,2,0,0,0,0|1,0,1]=4 1757 B12R1.653 Cc1c(c(ccc1C=O)OC)C TS47165 [0,2,0,0,0,0|1,0,1]=4 1758 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,2,0,0,0,0|1,0,0]=3 1760 B12R1.893 Cc1ccc(c(c1C)F)[N+](=O)[O-] TS12659 [0,2,0,0,0,0|2,0,0]=4 1761 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,2,0,0,0,0|1,0,1]=4 1762 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,2,0,0,0,0|1,0,1]=4 1763 B12R1.893 Cc1ccc(c(c1C)N)[N+](=O)[O-] TS12226 [0,2,0,0,0,0|2,0,0]=4 1764 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,2,0,0,0,0|1,0,1]=4 1765 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,2,0,0,0,0|2,0,0]=4 1766 B12R1.893 Cc1ccc(c(c1O)Cl)[N+](=O)[O-] TS02168 [0,2,0,0,0,0|2,0,0]=4 1767 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,0,1,1,0,0|2,0,0]=4 1768 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [1,0,0,1,0,0|1,0,0]=3 1769 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [1,0,0,1,0,0|1,0,0]=3 1770 B12R2.221 Cc1ccc(c2c1CC=C2)C TS07007 [0,1,0,1,0,0|1,0,0]=3 1771 B12R2.221 Cc1ccc(c2c1CCC2)O TS07458 [0,1,0,1,0,0|2,0,0]=4 1772 B12R2.221 Cc1ccc(c2c1cco2)Br TS21067 [0,1,0,1,0,0|1,0,1]=4 1773 B8R1.50 Cc1ccc(n1C)C TS31807 [1,0,0,0,1,0|2,0,0]=4 1774 B8R1.18 Cc1c(oc(n1)C)C TS00589 [1,0,0,0,1,0|2,0,0]=4 1775 B8R1.18 Cc1c(sc(n1)C)C TS36251 [1,0,0,0,1,0|2,0,0]=4 1776 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,0,0,0,1,0|1,1,0]=4 1777 B8R1.18 Cc1cc(n(n1)C)C TS00358 [1,0,0,0,1,0|2,0,0]=4 1778 B8R1.18 Cc1cc(sc1C)C TS36170 [1,0,0,0,1,0|1,0,0]=3 1779 B10R0.93 CC(=C)C(=O)OC(=O)C(=C)C TS56225 [0,0,1,0,0,1|1,0,1]=4