0 B9R1.3 C1=C[C@@H]([C@@H](C(=C1)Br)O)O TS17221 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.3 C1=C[C@@H]([C@@H](C(=C1)Cl)O)O TS07279 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.3 C1=C[C@@H]([C@@H](C(=C1)F)O)O TS36463 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.3 C1=C[C@@H]([C@@H](C(=C1)I)O)O TS57028 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.3 CC1=CC=C[C@H]([C@H]1O)O TS05151 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.3 Cc1c(c(=O)cc[nH]1)O TS05073 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.3 Cc1c(c(=O)cco1)O TS05135 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.3 Cc1c(c(=O)nc[nH]1)Cl TS40271 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.3 Cc1c(c(ccn1)Cl)Cl TS02536 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 Cc1c(c(ccn1)N)Cl TS06807 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.3 Cc1c(c(ccn1)N)N TS02446 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.3 Cc1c(c(ncn1)C)Br TS89568 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.3 Cc1c(c(ncn1)C)N TS32566 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.3 Cc1c(c(ncn1)C)O TS05019 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.3 Cc1c(c(ncn1)N)Cl TS03276 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.3 Cc1c(c(ncn1)N)I TS25673 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.3 Cc1c(c(ncn1)O)F TS94915 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.3 Cc1c(cccc1Br)Br TS00700 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.3 Cc1c(cccc1Br)Cl TS20047 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.3 Cc1c(cccc1Br)F TS08362 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.3 Cc1c(cccc1Br)N TS00799 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.3 Cc1c(cccc1Cl)Cl TS11353 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.3 Cc1c(cccc1Cl)F TS02142 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.3 Cc1c(cccc1Cl)N TS00137 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.3 Cc1c(cccc1Cl)N TS46375 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.3 Cc1c(cccc1F)F TS47312 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.3 Cc1c(cccc1F)N TS70570 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.3 Cc1c(cccc1F)O TS70572 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.3 Cc1c(cccc1I)Cl TS65405 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.3 Cc1c(cccc1I)F TS60285 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.3 Cc1c(cccc1N)N TS32518 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.3 Cc1c(cccc1O)N TS02637 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.3 Cc1c(cccc1O)O TS32599 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.3 Cc1c(ccnc1Cl)Br TS16933 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.3 Cc1c(ccnc1Cl)Cl TS00615 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.3 Cc1c(ccnc1Cl)I TS07713 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.3 Cc1c(ccnc1F)Br TS16272 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.3 Cc1c(cncc1Br)Br TS02573 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.3 Cc1c(cncc1Cl)Cl TS59596 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.3 Cc1c(nccc1N)C TS32511 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.3 Cc1c(ncnc1O)C TS32615 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.3 Cc1cccc([n+]1[O-])N TS05012 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.3 Cc1cccc(c1Br)C TS47327 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.3 Cc1cccc(c1Br)Cl TS01772 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.3 Cc1cccc(c1Br)F TS09120 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.3 Cc1cccc(c1C)Br TS65899 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.3 Cc1cccc(c1C)C TS07872 [0,0,0,0,0,0|1,0,0]=1 47 B9R1.3 Cc1cccc(c1C)Cl TS65291 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.3 Cc1cccc(c1C)F TS65316 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.3 Cc1cccc(c1C)I TS25160 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.3 Cc1cccc(c1C)N TS07902 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.3 Cc1cccc(c1C)N TS10929 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.3 Cc1cccc(c1C)O TS07901 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.3 Cc1cccc(c1C)S TS06305 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.3 Cc1cccc(c1Cl)Br TS20048 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.3 Cc1cccc(c1Cl)C TS37458 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.3 Cc1cccc(c1Cl)Cl TS11355 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.3 Cc1cccc(c1F)Br TS65480 [0,0,0,0,0,0|2,0,0]=2 59 B9R1.3 Cc1cccc(c1F)C TS09256 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.3 Cc1cccc(c1F)Cl TS22994 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.3 Cc1cccc(c1F)I TS65047 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.3 Cc1cccc(c1F)N TS02631 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.3 Cc1cccc(c1F)O TS08401 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.3 Cc1cccc(c1I)C TS53266 [0,0,0,0,0,0|1,0,0]=1 65 B9R1.3 Cc1cccc(c1I)Cl TS65975 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.3 Cc1cccc(c1I)F TS70566 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.3 Cc1cccc(c1N)Br TS48835 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.3 Cc1cccc(c1N)Cl TS00930 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.3 Cc1cccc(c1N)F TS55366 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.3 Cc1cccc(c1N)N TS00551 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.3 Cc1cccc(c1N)O TS47377 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.3 Cc1cccc(c1O)C TS04899 [0,0,0,0,0,0|0,0,0]=0 73 B9R1.3 Cc1cccc(c1O)Cl TS37681 [0,0,0,0,0,0|1,0,0]=1 74 B9R1.3 Cc1cccc(c1O)N TS55527 [0,0,0,0,0,0|1,0,0]=1 75 B9R1.3 Cc1cccc(c1O)O TS32601 [0,0,0,0,0,0|1,0,0]=1 76 B9R1.3 Cc1cccc(c1S)C TS06310 [0,0,0,0,0,0|0,1,0]=1 77 B9R1.3 Cc1cccc(n1=O)C TS04973 [0,0,0,0,0,0|1,0,1]=2 78 B9R1.3 Cc1cccn(=O)c1C TS04975 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.3 Cc1ccnc(c1Br)Br TS28128 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.3 Cc1ccnc(c1Br)Cl TS22883 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.3 Cc1ccnc(c1Br)F TS16861 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.3 Cc1ccnc(c1Br)N TS08277 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.3 Cc1ccnc(c1Br)O TS15903 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.3 Cc1ccnc(c1Cl)Br TS39095 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.3 Cc1ccnc(c1Cl)Cl TS11470 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.3 Cc1ccnc(c1Cl)N TS06802 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.3 Cc1ccnc(c1F)Br TS09119 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.3 Cc1ccnc(c1F)Cl TS65041 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.3 Cc1ccnc(c1I)Br TS07705 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.3 Cc1ccnc(c1N)Br TS02619 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.3 Cc1ccnc(c1N)Cl TS06798 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.3 Cc1ccnc(c1N)F TS55344 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.3 Cc1ccnc(c1N)N TS71234 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.3 Cc1ccnc(c1O)Cl TS06902 [0,0,0,0,0,0|2,0,0]=2 95 B9R1.3 Cc1cncc(c1Br)C TS48834 [0,0,0,0,0,0|2,0,0]=2 96 B9R1.3 Cc1cncc(c1N)Br TS49015 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.3 Cc1cncc(c1N)C TS04913 [0,0,0,0,0,0|2,0,0]=2 98 B9R1.3 Cc1cncc(c1N)Cl TS06804 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.3 Cc1cncc(c1N)I TS02986 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.3 Cc1cncc(c1O)F TS05257 [0,0,0,0,0,0|2,0,0]=2 101 B9R1.3 Cn1cccc(c1=O)Br TS91255 [0,0,0,0,0,0|2,0,1]=3 102 B9R1.3 Cn1cccc(c1=O)N TS86768 [0,0,0,0,0,0|2,0,1]=3 103 B9R1.3 c1c(c(c(cn1)Br)Br)Br TS65737 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.3 c1c(c(c(cn1)Br)Cl)Br TS89140 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.3 c1c(c(c(cn1)Br)N)Br TS63065 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl TS60049 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl TS85431 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.3 c1c(c(c(cn1)Cl)F)Cl TS16721 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.3 c1c(c(c(cn1)Cl)N)Cl TS65793 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.3 c1c(c(c(cn1)Cl)N)Cl TS85450 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.3 c1c(c(c(cn1)Cl)N)N TS08704 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.3 c1c(c(c(cn1)Cl)O)Cl TS65782 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.3 c1c(c(c(cn1)F)N)F TS36450 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.3 c1c(c(c(cn1)N)N)N TS05026 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.3 c1cc([n+](c(c1)Cl)F)Cl TS28535 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.3 c1cc([n+](c(c1)Cl)F)Cl TS76817 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.3 c1cc(c(c(c1)Br)Br)Br TS76732 [0,0,0,0,0,0|3,0,0]=3 118 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl TS46906 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.3 c1cc(c(c(c1)Br)Cl)F TS09267 [0,0,0,0,0,0|3,0,0]=3 121 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.3 c1cc(c(c(c1)Br)F)Cl TS65970 [0,0,0,0,0,0|3,0,0]=3 123 B9R1.3 c1cc(c(c(c1)Br)F)F TS46907 [0,0,0,0,0,0|3,0,0]=3 124 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [0,0,0,0,0,0|3,0,0]=3 125 B9R1.3 c1cc(c(c(c1)Br)N)Br TS00693 [0,0,0,0,0,0|3,0,0]=3 126 B9R1.3 c1cc(c(c(c1)Br)N)Cl TS39091 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.3 c1cc(c(c(c1)Br)N)F TS55143 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.3 c1cc(c(c(c1)Br)N)N TS49020 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.3 c1cc(c(c(c1)Br)O)Br TS00698 [0,0,0,0,0,0|2,0,0]=2 131 B9R1.3 c1cc(c(c(c1)Br)O)F TS60270 [0,0,0,0,0,0|2,0,0]=2 132 B9R1.3 c1cc(c(c(c1)Br)O)N TS00797 [0,0,0,0,0,0|2,0,0]=2 133 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl TS46911 [0,0,0,0,0,0|3,0,0]=3 134 B9R1.3 c1cc(c(c(c1)Cl)Br)F TS55256 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [0,0,0,0,0,0|3,0,0]=3 136 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl TS48138 [0,0,0,0,0,0|3,0,0]=3 137 B9R1.3 c1cc(c(c(c1)Cl)Cl)F TS02330 [0,0,0,0,0,0|3,0,0]=3 138 B9R1.3 c1cc(c(c(c1)Cl)Cl)N TS11474 [0,0,0,0,0,0|3,0,0]=3 139 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [0,0,0,0,0,0|3,0,0]=3 140 B9R1.3 c1cc(c(c(c1)Cl)Cl)S TS14337 [0,0,0,0,0,0|3,0,0]=3 141 B9R1.3 c1cc(c(c(c1)Cl)F)Cl TS47301 [0,0,0,0,0,0|3,0,0]=3 142 B9R1.3 c1cc(c(c(c1)Cl)F)F TS65290 [0,0,0,0,0,0|3,0,0]=3 143 B9R1.3 c1cc(c(c(c1)Cl)F)N TS65967 [0,0,0,0,0,0|3,0,0]=3 144 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.3 c1cc(c(c(c1)Cl)I)Cl TS59885 [0,0,0,0,0,0|3,0,0]=3 146 B9R1.3 c1cc(c(c(c1)Cl)I)N TS28513 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.3 c1cc(c(c(c1)Cl)N)Cl TS47295 [0,0,0,0,0,0|3,0,0]=3 149 B9R1.3 c1cc(c(c(c1)Cl)N)F TS55254 [0,0,0,0,0,0|3,0,0]=3 150 B9R1.3 c1cc(c(c(c1)Cl)N)S TS11196 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.3 c1cc(c(c(c1)Cl)O)Cl TS11645 [0,0,0,0,0,0|2,0,0]=2 152 B9R1.3 c1cc(c(c(c1)Cl)O)F TS55258 [0,0,0,0,0,0|2,0,0]=2 153 B9R1.3 c1cc(c(c(c1)Cl)S)Cl TS47674 [0,0,0,0,0,0|2,1,0]=3 154 B9R1.3 c1cc(c(c(c1)F)Br)F TS55067 [0,0,0,0,0,0|3,0,0]=3 155 B9R1.3 c1cc(c(c(c1)F)Br)N TS08301 [0,0,0,0,0,0|3,0,0]=3 156 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [0,0,0,0,0,0|3,0,0]=3 157 B9R1.3 c1cc(c(c(c1)F)Cl)F TS85137 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.3 c1cc(c(c(c1)F)Cl)N TS08397 [0,0,0,0,0,0|3,0,0]=3 159 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [0,0,0,0,0,0|3,0,0]=3 160 B9R1.3 c1cc(c(c(c1)F)F)F TS05699 [0,0,0,0,0,0|3,0,0]=3 161 B9R1.3 c1cc(c(c(c1)F)F)N TS44666 [0,0,0,0,0,0|3,0,0]=3 162 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [0,0,0,0,0,0|3,0,0]=3 163 B9R1.3 c1cc(c(c(c1)F)I)F TS26442 [0,0,0,0,0,0|3,0,0]=3 164 B9R1.3 c1cc(c(c(c1)F)I)N TS09364 [0,0,0,0,0,0|3,0,0]=3 165 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [0,0,0,0,0,0|3,0,0]=3 166 B9R1.3 c1cc(c(c(c1)F)N)F TS34648 [0,0,0,0,0,0|3,0,0]=3 167 B9R1.3 c1cc(c(c(c1)F)O)F TS47306 [0,0,0,0,0,0|2,0,0]=2 168 B9R1.3 c1cc(c(c(c1)F)O)N TS01226 [0,0,0,0,0,0|2,0,0]=2 169 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [0,0,0,0,0,0|2,0,0]=2 170 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [0,0,0,0,0,0|3,0,0]=3 171 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [0,0,0,0,0,0|3,0,0]=3 172 B9R1.3 c1cc(c(c(c1)I)F)Cl TS65485 [0,0,0,0,0,0|3,0,0]=3 173 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [0,0,0,0,0,0|3,0,0]=3 174 B9R1.3 c1cc(c(c(c1)I)N)Cl TS28514 [0,0,0,0,0,0|3,0,0]=3 175 B9R1.3 c1cc(c(c(c1)I)N)F TS25993 [0,0,0,0,0,0|3,0,0]=3 176 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [0,0,0,0,0,0|3,0,0]=3 177 B9R1.3 c1cc(c(c(c1)I)O)F TS57023 [0,0,0,0,0,0|2,0,0]=2 178 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [0,0,0,0,0,0|3,0,0]=3 179 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [0,0,0,0,0,0|3,0,0]=3 180 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [0,0,0,0,0,0|3,0,0]=3 181 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [0,0,0,0,0,0|3,0,0]=3 182 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [0,0,0,0,0,0|3,0,0]=3 183 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [0,0,0,0,0,0|3,0,0]=3 184 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [0,0,0,0,0,0|3,0,0]=3 185 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [0,0,0,0,0,0|2,0,0]=2 186 B9R1.3 c1cc(c(n(=O)c1)Cl)F TS07387 [0,0,0,0,0,0|4,0,0]=4 187 B9R1.3 c1cc(n(=O)c(c1)Cl)Cl TS11786 [0,0,0,0,0,0|3,0,1]=4 188 B9R1.3 c1cnc(c(c1Br)N)Br TS63066 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.3 c1cnc(c(c1Br)N)N TS91320 [0,0,0,0,0,0|4,0,0]=4 190 B9R1.3 c1cnc(c(c1Br)O)N TS73944 [0,0,0,0,0,0|3,0,0]=3 191 B9R1.3 c1cnc(c(c1Cl)Cl)N TS11649 [0,0,0,0,0,0|4,0,0]=4 192 B9R1.3 c1cnc(c(c1Cl)F)F TS40791 [0,0,0,0,0,0|4,0,0]=4 193 B9R1.3 c1cnc(c(c1Cl)I)Cl TS85395 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.3 c1cnc(c(c1Cl)I)N TS28682 [0,0,0,0,0,0|4,0,0]=4 195 B9R1.3 c1cnc(c(c1Cl)N)Cl TS65839 [0,0,0,0,0,0|4,0,0]=4 196 B9R1.3 c1cnc(c(c1Cl)N)N TS90107 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.3 c1cnc(c(c1I)Br)Cl TS61410 [0,0,0,0,0,0|4,0,0]=4 198 B9R1.3 c1cnc(c(c1I)Br)F TS65079 [0,0,0,0,0,0|4,0,0]=4 199 B9R1.3 c1cnc(c(c1I)Cl)Cl TS85393 [0,0,0,0,0,0|4,0,0]=4 200 B9R1.3 c1cnc(c(c1I)F)Cl TS08394 [0,0,0,0,0,0|4,0,0]=4 201 B9R1.3 c1cnc(c(c1I)F)F TS57486 [0,0,0,0,0,0|4,0,0]=4 202 B9R1.3 c1cnc(c(c1I)I)F TS64660 [0,0,0,0,0,0|4,0,0]=4 203 B9R1.3 c1cnc(c(c1N)Br)Cl TS43337 [0,0,0,0,0,0|4,0,0]=4 204 B9R1.3 c1cnc(c(c1N)Br)O TS16114 [0,0,0,0,0,0|4,0,0]=4 205 B9R1.3 c1cnc(c(c1N)Cl)O TS70878 [0,0,0,0,0,0|4,0,0]=4 206 B9R1.3 c1cnc(c(c1N)N)Br TS85763 [0,0,0,0,0,0|4,0,0]=4 207 B9R1.3 c1cnc(c(c1N)N)Cl TS08389 [0,0,0,0,0,0|4,0,0]=4 208 B9R1.3 c1cnc(c(c1N)N)N TS59370 [0,0,0,0,0,0|4,0,0]=4 209 B9R1.3 c1cnc(c(c1N)N)O TS02527 [0,0,0,0,0,0|4,0,0]=4 210 B8R1.4 CC1=CCC=C(C1)C TS04144 [1,0,0,0,0,0|0,0,2]=3 211 B8R1.4 C[n+]1cccc(c1)Br TS74567 [1,0,0,0,0,0|2,0,0]=3 212 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.4 Cc1cc(ccn1)Br TS20656 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.4 Cc1cc(ccn1)Br TS85446 [1,0,0,0,0,0|2,0,0]=3 215 B8R1.4 Cc1cc(ccn1)Cl TS42660 [1,0,0,0,0,0|2,0,0]=3 216 B8R1.4 Cc1cc(ccn1)Cl TS71029 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.4 Cc1cc(ccn1)F TS04247 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.4 Cc1cc(ccn1)I TS22520 [1,0,0,0,0,0|2,0,0]=3 219 B8R1.4 Cc1cc(ccn1)N TS93456 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.4 Cc1cc(ccn1)O TS03105 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.4 Cc1cc(cnc1)Br TS65935 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.4 Cc1cc(cnc1)C TS31757 [1,0,0,0,0,0|1,0,0]=2 223 B8R1.4 Cc1cc(cnc1)Cl TS66000 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.4 Cc1cc(cnc1)F TS70587 [1,0,0,0,0,0|2,0,0]=3 225 B8R1.4 Cc1cc(cnc1)N TS02653 [1,0,0,0,0,0|2,0,0]=3 226 B8R1.4 Cc1cc(cnc1)O TS70616 [1,0,0,0,0,0|2,0,0]=3 227 B8R1.4 Cc1cc(ncn1)C TS02936 [1,0,0,0,0,0|2,0,0]=3 228 B8R1.4 Cc1cc(ncn1)Cl TS03167 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.4 Cc1cc(ncn1)N TS86037 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.4 Cc1cc(ncn1)O TS71161 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.4 Cc1cc(nnc1)Cl TS00181 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.4 Cc1cccc(c1)Br TS39711 [1,0,0,0,0,0|1,0,0]=2 234 B8R1.4 Cc1cccc(c1)C TS04101 [1,0,0,0,0,0|0,0,0]=1 235 B8R1.4 Cc1cccc(c1)Cl TS36194 [1,0,0,0,0,0|1,0,0]=2 236 B8R1.4 Cc1cccc(c1)F TS31827 [1,0,0,0,0,0|1,0,0]=2 237 B8R1.4 Cc1cccc(c1)I TS49342 [1,0,0,0,0,0|1,0,0]=2 238 B8R1.4 Cc1cccc(c1)N TS04111 [1,0,0,0,0,0|1,0,0]=2 239 B8R1.4 Cc1cccc(c1)N TS40126 [1,0,0,0,0,0|1,0,0]=2 240 B8R1.4 Cc1cccc(c1)O TS31767 [1,0,0,0,0,0|1,0,0]=2 241 B8R1.4 Cc1cccc(c1)S TS05038 [1,0,0,0,0,0|1,0,0]=2 242 B8R1.4 Cc1cccc(n1)Br TS08371 [1,0,0,0,0,0|2,0,0]=3 243 B8R1.4 Cc1cccc(n1)Br TS94756 [1,0,0,0,0,0|2,0,0]=3 244 B8R1.4 Cc1cccc(n1)C TS60248 [1,0,0,0,0,0|1,0,0]=2 245 B8R1.4 Cc1cccc(n1)Cl TS00936 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.4 Cc1cccc(n1)F TS55370 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.4 Cc1cccc(n1)I TS59623 [1,0,0,0,0,0|2,0,0]=3 248 B8R1.4 Cc1cccc(n1)N TS47459 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.4 Cc1cccc(n1)O TS01270 [1,0,0,0,0,0|2,0,0]=3 250 B8R1.4 Cc1cccc(n1)S TS05106 [1,0,0,0,0,0|2,0,0]=3 251 B8R1.4 Cc1cccn(=O)c1 TS02882 [1,0,0,0,0,0|2,0,0]=3 252 B8R1.4 Cc1ccnc(c1)Br TS08333 [1,0,0,0,0,0|2,0,0]=3 253 B8R1.4 Cc1ccnc(c1)C TS07700 [1,0,0,0,0,0|1,0,0]=2 254 B8R1.4 Cc1ccnc(c1)Cl TS55236 [1,0,0,0,0,0|2,0,0]=3 255 B8R1.4 Cc1ccnc(c1)F TS85429 [1,0,0,0,0,0|2,0,0]=3 256 B8R1.4 Cc1ccnc(c1)I TS33096 [1,0,0,0,0,0|2,0,0]=3 257 B8R1.4 Cc1ccnc(c1)O TS01045 [1,0,0,0,0,0|2,0,0]=3 258 B8R1.4 Cc1ccnc(n1)Br TS08334 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.4 Cc1ccnc(n1)Cl TS00889 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.4 Cc1ccnc(n1)N TS47413 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.4 Cc1ccnc(n1)O TS01046 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.4 Cc1ccnc(n1)S TS36140 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.4 Cc1cncc(n1)Br TS08370 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.4 Cc1cncc(n1)C TS31775 [1,0,0,0,0,0|2,0,0]=3 265 B8R1.4 Cc1cncc(n1)Cl TS00934 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.4 Cc1cncc(n1)N TS01269 [1,0,0,0,0,0|3,0,0]=4 267 B8R1.4 Cc1cncc(n1)O TS01059 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.4 Cc1nccc(n1)Cl TS71022 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.4 Cc1nccc(n1)O TS03106 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.4 c1c(cncc1Br)Br TS02580 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.4 c1c(cncc1Br)Cl TS85436 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.4 c1c(cncc1Br)F TS16987 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.4 c1c(cncc1Br)N TS09813 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.4 c1c(cncc1Br)O TS65929 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.4 c1c(cncc1Cl)Cl TS65794 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.4 c1c(cncc1Cl)F TS65996 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.4 c1c(cncc1Cl)N TS02649 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.4 c1c(cncc1Cl)O TS03267 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.4 c1c(cncc1F)N TS16742 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.4 c1c(cncc1F)N TS85434 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.4 c1c(cncc1F)O TS70584 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.4 c1c(cncc1I)Br TS65930 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.4 c1c(cncc1I)Cl TS57281 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.4 c1c(cncc1I)F TS50246 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.4 c1c(cncc1I)I TS87998 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.4 c1c(cncc1I)N TS02651 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.4 c1c(cncc1N)N TS02192 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.4 c1c(cncc1O)N TS31814 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.4 c1c(cncc1O)O TS02592 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [1,0,0,0,0,0|2,0,0]=3 291 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [1,0,0,0,0,0|2,0,0]=3 292 B8R1.4 c1cc(cc(c1)Br)F TS65943 [1,0,0,0,0,0|2,0,0]=3 293 B8R1.4 c1cc(cc(c1)Br)N TS60009 [1,0,0,0,0,0|2,0,0]=3 294 B8R1.4 c1cc(cc(c1)Br)O TS65958 [1,0,0,0,0,0|2,0,0]=3 295 B8R1.4 c1cc(cc(c1)Br)S TS09503 [1,0,0,0,0,0|2,0,0]=3 296 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [1,0,0,0,0,0|2,0,0]=3 297 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [1,0,0,0,0,0|2,0,0]=3 298 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [1,0,0,0,0,0|2,0,0]=3 299 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [1,0,0,0,0,0|2,0,0]=3 300 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [1,0,0,0,0,0|2,0,0]=3 301 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [1,0,0,0,0,0|2,0,0]=3 302 B8R1.4 c1cc(cc(c1)F)F TS07881 [1,0,0,0,0,0|2,0,0]=3 303 B8R1.4 c1cc(cc(c1)F)N TS07389 [1,0,0,0,0,0|2,0,0]=3 304 B8R1.4 c1cc(cc(c1)F)N TS70590 [1,0,0,0,0,0|2,0,0]=3 305 B8R1.4 c1cc(cc(c1)F)O TS70601 [1,0,0,0,0,0|2,0,0]=3 306 B8R1.4 c1cc(cc(c1)I)Br TS46926 [1,0,0,0,0,0|2,0,0]=3 307 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [1,0,0,0,0,0|2,0,0]=3 308 B8R1.4 c1cc(cc(c1)I)F TS70597 [1,0,0,0,0,0|2,0,0]=3 309 B8R1.4 c1cc(cc(c1)I)I TS65281 [1,0,0,0,0,0|2,0,0]=3 310 B8R1.4 c1cc(cc(c1)I)N TS39444 [1,0,0,0,0,0|2,0,0]=3 311 B8R1.4 c1cc(cc(c1)I)O TS49693 [1,0,0,0,0,0|2,0,0]=3 312 B8R1.4 c1cc(cc(c1)N)N TS31777 [1,0,0,0,0,0|2,0,0]=3 313 B8R1.4 c1cc(cc(c1)N)N TS38980 [1,0,0,0,0,0|2,0,0]=3 314 B8R1.4 c1cc(cc(c1)N)N TS48030 [1,0,0,0,0,0|2,0,0]=3 315 B8R1.4 c1cc(cc(c1)O)N TS07147 [1,0,0,0,0,0|2,0,0]=3 316 B8R1.4 c1cc(cc(c1)O)N TS39704 [1,0,0,0,0,0|2,0,0]=3 317 B8R1.4 c1cc(cc(c1)O)O TS04191 [1,0,0,0,0,0|2,0,0]=3 318 B8R1.4 c1cc(cc(c1)S)F TS02772 [1,0,0,0,0,0|2,0,0]=3 319 B8R1.4 c1cc(cc(c1)S)N TS05107 [1,0,0,0,0,0|2,0,0]=3 320 B8R1.4 c1cc(cc(c1)S)O TS00159 [1,0,0,0,0,0|2,0,0]=3 321 B8R1.4 c1cc(cc(c1)S)S TS06771 [1,0,0,0,0,0|2,0,0]=3 322 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [1,0,0,0,0,0|2,0,0]=3 323 B8R1.4 c1cc(cn(=O)c1)Br TS45713 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.4 c1cc(cn(=O)c1)Cl TS05503 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.4 c1cc(cn(=O)c1)F TS65086 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.4 c1cc(cn(=O)c1)O TS04234 [1,0,0,0,0,0|3,0,0]=4 327 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [1,0,0,0,0,0|3,0,0]=4 328 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [1,0,0,0,0,0|3,0,0]=4 329 B8R1.4 c1cc(nc(c1)Br)F TS08361 [1,0,0,0,0,0|3,0,0]=4 330 B8R1.4 c1cc(nc(c1)Br)N TS00798 [1,0,0,0,0,0|3,0,0]=4 331 B8R1.4 c1cc(nc(c1)Br)O TS08364 [1,0,0,0,0,0|3,0,0]=4 332 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.4 c1cc(nc(c1)F)F TS47310 [1,0,0,0,0,0|3,0,0]=4 337 B8R1.4 c1cc(nc(c1)F)N TS00806 [1,0,0,0,0,0|3,0,0]=4 338 B8R1.4 c1cc(nc(c1)F)O TS32004 [1,0,0,0,0,0|3,0,0]=4 339 B8R1.4 c1cc(nc(c1)I)Br TS54680 [1,0,0,0,0,0|3,0,0]=4 340 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [1,0,0,0,0,0|3,0,0]=4 341 B8R1.4 c1cc(nc(c1)I)I TS07928 [1,0,0,0,0,0|3,0,0]=4 342 B8R1.4 c1cc(nc(c1)I)N TS39789 [1,0,0,0,0,0|3,0,0]=4 343 B8R1.4 c1cc(nc(c1)N)N TS00686 [1,0,0,0,0,0|3,0,0]=4 344 B8R1.4 c1cc(nc(c1)N)N TS20354 [1,0,0,0,0,0|3,0,0]=4 345 B8R1.4 c1cc(nc(c1)O)N TS00808 [1,0,0,0,0,0|3,0,0]=4 346 B8R1.4 c1cc(nc(c1)O)O TS07388 [1,0,0,0,0,0|3,0,0]=4 347 B8R1.4 c1cc(nc(c1)O)O TS47313 [1,0,0,0,0,0|3,0,0]=4 348 B8R1.4 c1cc(nc(c1)S)S TS06879 [1,0,0,0,0,0|3,0,0]=4 349 B8R1.4 c1cnc(cc1Br)Br TS47198 [1,0,0,0,0,0|3,0,0]=4 350 B8R1.4 c1cnc(cc1Br)Cl TS85435 [1,0,0,0,0,0|3,0,0]=4 351 B8R1.4 c1cnc(cc1Br)F TS16945 [1,0,0,0,0,0|3,0,0]=4 352 B8R1.4 c1cnc(cc1Br)I TS54678 [1,0,0,0,0,0|3,0,0]=4 353 B8R1.4 c1cnc(cc1Br)N TS47392 [1,0,0,0,0,0|3,0,0]=4 354 B8R1.4 c1cnc(cc1Br)O TS70957 [1,0,0,0,0,0|3,0,0]=4 355 B8R1.4 c1cnc(cc1Cl)Br TS55100 [1,0,0,0,0,0|3,0,0]=4 356 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [1,0,0,0,0,0|3,0,0]=4 357 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [1,0,0,0,0,0|3,0,0]=4 358 B8R1.4 c1cnc(cc1Cl)F TS03044 [1,0,0,0,0,0|3,0,0]=4 359 B8R1.4 c1cnc(cc1Cl)N TS00747 [1,0,0,0,0,0|3,0,0]=4 360 B8R1.4 c1cnc(cc1Cl)O TS03047 [1,0,0,0,0,0|3,0,0]=4 361 B8R1.4 c1cnc(cc1F)Br TS08322 [1,0,0,0,0,0|3,0,0]=4 362 B8R1.4 c1cnc(cc1F)Cl TS55216 [1,0,0,0,0,0|3,0,0]=4 363 B8R1.4 c1cnc(cc1F)F TS47221 [1,0,0,0,0,0|3,0,0]=4 364 B8R1.4 c1cnc(cc1F)N TS00754 [1,0,0,0,0,0|3,0,0]=4 365 B8R1.4 c1cnc(cc1F)O TS32002 [1,0,0,0,0,0|3,0,0]=4 366 B8R1.4 c1cnc(cc1I)Br TS08326 [1,0,0,0,0,0|3,0,0]=4 367 B8R1.4 c1cnc(cc1I)Cl TS55222 [1,0,0,0,0,0|3,0,0]=4 368 B8R1.4 c1cnc(cc1I)F TS08421 [1,0,0,0,0,0|3,0,0]=4 369 B8R1.4 c1cnc(cc1I)I TS63698 [1,0,0,0,0,0|3,0,0]=4 370 B8R1.4 c1cnc(cc1I)N TS49694 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.4 c1cnc(cc1N)Br TS70872 [1,0,0,0,0,0|3,0,0]=4 372 B8R1.4 c1cnc(cc1N)Cl TS75450 [1,0,0,0,0,0|3,0,0]=4 373 B8R1.4 c1cnc(cc1N)Cl TS89130 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.4 c1cnc(cc1N)F TS01037 [1,0,0,0,0,0|3,0,0]=4 375 B8R1.4 c1cnc(cc1N)N TS59371 [1,0,0,0,0,0|3,0,0]=4 376 B8R1.4 c1cnc(cc1N)O TS02965 [1,0,0,0,0,0|3,0,0]=4 377 B8R1.4 c1cnc(cc1N)O TS86931 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.4 c1cnc(cc1O)Br TS08324 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.4 c1cnc(cc1O)Cl TS55220 [1,0,0,0,0,0|3,0,0]=4 380 B8R1.4 c1cnc(cc1O)F TS32003 [1,0,0,0,0,0|3,0,0]=4 381 B8R1.4 c1cnc(cc1O)N TS47399 [1,0,0,0,0,0|3,0,0]=4 382 B8R1.4 c1cnc(cc1O)O TS04243 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.5 C[n+]1ccccc1Cl TS08381 [1,0,0,0,0,0|2,0,0]=3 384 B8R1.5 C[n+]1ccccc1Cl TS20654 [1,0,0,0,0,0|2,0,0]=3 385 B8R1.5 Cc1c(cccn1)Br TS65908 [1,0,0,0,0,0|2,0,0]=3 386 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,0,0,0,0,0|2,0,0]=3 387 B8R1.5 Cc1c(cccn1)F TS70573 [1,0,0,0,0,0|2,0,0]=3 388 B8R1.5 Cc1c(cccn1)I TS02809 [1,0,0,0,0,0|2,0,0]=3 389 B8R1.5 Cc1c(cccn1)N TS31778 [1,0,0,0,0,0|2,0,0]=3 390 B8R1.5 Cc1c(cccn1)O TS87617 [1,0,0,0,0,0|1,0,0]=2 391 B8R1.5 Cc1c(cncn1)Br TS17002 [1,0,0,0,0,0|3,0,0]=4 392 B8R1.5 Cc1c(cncn1)N TS03237 [1,0,0,0,0,0|3,0,0]=4 393 B8R1.5 Cc1c(nccn1)Br TS08309 [1,0,0,0,0,0|3,0,0]=4 394 B8R1.5 Cc1c(nccn1)C TS47169 [1,0,0,0,0,0|3,0,0]=4 395 B8R1.5 Cc1c(nccn1)Cl TS55202 [1,0,0,0,0,0|3,0,0]=4 396 B8R1.5 Cc1c(nccn1)I TS89593 [1,0,0,0,0,0|3,0,0]=4 397 B8R1.5 Cc1c(nccn1)N TS00719 [1,0,0,0,0,0|3,0,0]=4 398 B8R1.5 Cc1c(nccn1)O TS55386 [1,0,0,0,0,0|2,0,0]=3 399 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,0,0,0,0,0|1,0,1]=3 400 B8R1.5 Cc1cccc[n+]1C TS25681 [1,0,0,0,0,0|2,0,0]=3 401 B8R1.5 Cc1ccccc1Br TS00024 [1,0,0,0,0,0|1,0,0]=2 402 B8R1.5 Cc1ccccc1C TS04099 [1,0,0,0,0,0|1,0,0]=2 403 B8R1.5 Cc1ccccc1Cl TS36192 [1,0,0,0,0,0|1,0,0]=2 404 B8R1.5 Cc1ccccc1F TS31828 [1,0,0,0,0,0|1,0,0]=2 405 B8R1.5 Cc1ccccc1I TS49343 [1,0,0,0,0,0|1,0,0]=2 406 B8R1.5 Cc1ccccc1N TS40130 [1,0,0,0,0,0|1,0,0]=2 407 B8R1.5 Cc1ccccc1N TS46845 [1,0,0,0,0,0|1,0,0]=2 408 B8R1.5 Cc1ccccc1O TS31768 [1,0,0,0,0,0|0,0,0]=1 409 B8R1.5 Cc1ccccc1S TS05037 [1,0,0,0,0,0|0,1,0]=2 410 B8R1.5 Cc1ccccn1=O TS00106 [1,0,0,0,0,0|1,0,1]=3 411 B8R1.5 Cc1cccnc1Br TS08310 [1,0,0,0,0,0|2,0,0]=3 412 B8R1.5 Cc1cccnc1C TS07903 [1,0,0,0,0,0|2,0,0]=3 413 B8R1.5 Cc1cccnc1Cl TS55203 [1,0,0,0,0,0|2,0,0]=3 414 B8R1.5 Cc1cccnc1F TS08402 [1,0,0,0,0,0|2,0,0]=3 415 B8R1.5 Cc1cccnc1I TS01069 [1,0,0,0,0,0|2,0,0]=3 416 B8R1.5 Cc1cccnc1N TS00720 [1,0,0,0,0,0|2,0,0]=3 417 B8R1.5 Cc1cccnc1N TS01794 [1,0,0,0,0,0|2,0,0]=3 418 B8R1.5 Cc1cccnc1O TS31800 [1,0,0,0,0,0|1,0,0]=2 419 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,0,0,0,0,0|2,0,0]=3 420 B8R1.5 Cc1ccn[nH]c1=O TS70611 [1,0,0,0,0,0|2,0,1]=4 421 B8R1.5 Cc1ccncc1Br TS09458 [1,0,0,0,0,0|2,0,0]=3 422 B8R1.5 Cc1ccncc1C TS00124 [1,0,0,0,0,0|2,0,0]=3 423 B8R1.5 Cc1ccncc1Cl TS65986 [1,0,0,0,0,0|2,0,0]=3 424 B8R1.5 Cc1ccncc1F TS70582 [1,0,0,0,0,0|2,0,0]=3 425 B8R1.5 Cc1ccncc1N TS02641 [1,0,0,0,0,0|2,0,0]=3 426 B8R1.5 Cc1ccncc1O TS03183 [1,0,0,0,0,0|1,0,0]=2 427 B8R1.5 Cc1ccnnc1Cl TS02026 [1,0,0,0,0,0|3,0,0]=4 428 B8R1.5 Cc1cnccc1Br TS39326 [1,0,0,0,0,0|2,0,0]=3 429 B8R1.5 Cc1cnccc1Br TS88793 [1,0,0,0,0,0|2,0,0]=3 430 B8R1.5 Cc1cnccc1F TS71122 [1,0,0,0,0,0|2,0,0]=3 431 B8R1.5 Cc1cnccc1N TS70892 [1,0,0,0,0,0|2,0,0]=3 432 B8R1.5 Cc1cnccc1O TS70666 [1,0,0,0,0,0|1,0,0]=2 433 B8R1.5 Cc1cncnc1Cl TS71045 [1,0,0,0,0,0|3,0,0]=4 434 B8R1.5 Cc1cncnc1O TS59515 [1,0,0,0,0,0|2,0,0]=3 435 B8R1.5 Cn1ccccc1=O TS31799 [1,0,0,0,0,0|1,0,1]=3 436 B8R1.5 Cn1ccccc1=S TS05102 [1,0,0,0,0,0|1,1,0]=3 437 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [1,0,0,0,0,0|3,0,0]=4 438 B8R1.5 c1c(c(ncn1)O)Br TS91053 [1,0,0,0,0,0|3,0,0]=4 439 B8R1.5 c1c(c(ncn1)O)Cl TS86679 [1,0,0,0,0,0|3,0,0]=4 440 B8R1.5 c1c(c(ncn1)O)F TS03316 [1,0,0,0,0,0|3,0,0]=4 441 B8R1.5 c1c(c(ncn1)O)I TS91520 [1,0,0,0,0,0|3,0,0]=4 442 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [1,0,0,0,0,0|2,0,1]=4 443 B8R1.5 c1cc(c(=O)oc1)O TS00155 [1,0,0,0,0,0|2,0,0]=3 444 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [1,0,0,0,0,0|2,1,0]=4 445 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,0,0,0,0,0|3,0,0]=4 446 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,0,0,0,0,0|3,0,0]=4 447 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,0,0,0,0,0|3,0,0]=4 448 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,0,0,0,0,0|3,0,0]=4 449 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,0,0,0,0,0|3,0,0]=4 450 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,0,0,0,0,0|2,0,0]=3 451 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,0,0,0,0,0|3,0,0]=4 452 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,0,0,0,0,0|3,0,0]=4 453 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,0,0,0,0,0|3,0,0]=4 454 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,0,0,0,0,0|3,0,0]=4 455 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,0,0,0,0,0|3,0,0]=4 456 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,0,0,0,0,0|2,0,0]=3 457 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,0,0,0,0,0|3,0,0]=4 458 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,0,0,0,0,0|3,0,0]=4 459 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,0,0,0,0,0|3,0,0]=4 460 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,0,0,0,0,0|3,0,0]=4 461 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,0,0,0,0,0|3,0,0]=4 462 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,0,0,0,0,0|3,0,0]=4 463 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,0,0,0,0,0|2,0,0]=3 464 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,0,0,0,0,0|3,0,0]=4 465 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,0,0,0,0,0|3,0,0]=4 466 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,0,0,0,0,0|3,0,0]=4 467 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,0,0,0,0,0|3,0,0]=4 468 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,0,0,0,0,0|2,0,0]=3 469 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,0,0,0,0,0|3,0,0]=4 470 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,0,0,0,0,0|3,0,0]=4 471 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,0,0,0,0,0|3,0,0]=4 472 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,0,0,0,0,0|3,0,0]=4 473 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,0,0,0,0,0|3,0,0]=4 474 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,0,0,0,0,0|2,0,0]=3 475 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,0,0,0,0,0|2,0,0]=3 476 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,0,0,0,0,0|2,1,0]=4 477 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,0,0,0,0,0|2,0,0]=3 478 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,0,0,0,0,0|2,0,0]=3 479 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,0,0,0,0,0|2,0,0]=3 480 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,0,0,0,0,0|2,0,0]=3 481 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,0,0,0,0,0|2,0,0]=3 482 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,0,0,0,0,0|2,0,0]=3 483 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [1,0,0,0,0,0|2,0,0]=3 484 B8R1.5 c1cc[n+](c(c1)S)[O-] TS93094 [1,0,0,0,0,0|2,0,1]=4 485 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [1,0,0,0,0,0|2,0,0]=3 486 B8R1.5 c1ccc(c(c1)Br)I TS65287 [1,0,0,0,0,0|2,0,0]=3 487 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [1,0,0,0,0,0|2,0,0]=3 488 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [1,0,0,0,0,0|2,0,0]=3 489 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [1,0,0,0,0,0|2,0,0]=3 490 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [1,0,0,0,0,0|2,0,0]=3 491 B8R1.5 c1ccc(c(c1)F)Br TS46916 [1,0,0,0,0,0|2,0,0]=3 492 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [1,0,0,0,0,0|2,0,0]=3 493 B8R1.5 c1ccc(c(c1)F)F TS07875 [1,0,0,0,0,0|2,0,0]=3 494 B8R1.5 c1ccc(c(c1)F)I TS65430 [1,0,0,0,0,0|2,0,0]=3 495 B8R1.5 c1ccc(c(c1)F)S TS46406 [1,0,0,0,0,0|1,1,0]=3 496 B8R1.5 c1ccc(c(c1)I)I TS65275 [1,0,0,0,0,0|2,0,0]=3 497 B8R1.5 c1ccc(c(c1)N)Br TS20655 [1,0,0,0,0,0|2,0,0]=3 498 B8R1.5 c1ccc(c(c1)N)Br TS55149 [1,0,0,0,0,0|2,0,0]=3 499 B8R1.5 c1ccc(c(c1)N)F TS39663 [1,0,0,0,0,0|2,0,0]=3 500 B8R1.5 c1ccc(c(c1)N)I TS01078 [1,0,0,0,0,0|2,0,0]=3 501 B8R1.5 c1ccc(c(c1)N)N TS31770 [1,0,0,0,0,0|2,0,0]=3 502 B8R1.5 c1ccc(c(c1)N)N TS38979 [1,0,0,0,0,0|2,0,0]=3 503 B8R1.5 c1ccc(c(c1)N)N TS48029 [1,0,0,0,0,0|2,0,0]=3 504 B8R1.5 c1ccc(c(c1)N)O TS00817 [1,0,0,0,0,0|1,0,0]=2 505 B8R1.5 c1ccc(c(c1)N)O TS07143 [1,0,0,0,0,0|1,0,0]=2 506 B8R1.5 c1ccc(c(c1)N)O TS76832 [1,0,0,0,0,0|1,0,0]=2 507 B8R1.5 c1ccc(c(c1)N)S TS47467 [1,0,0,0,0,0|1,1,0]=3 508 B8R1.5 c1ccc(c(c1)O)Br TS00855 [1,0,0,0,0,0|1,0,0]=2 509 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [1,0,0,0,0,0|1,0,0]=2 510 B8R1.5 c1ccc(c(c1)O)F TS04282 [1,0,0,0,0,0|1,0,0]=2 511 B8R1.5 c1ccc(c(c1)O)I TS49691 [1,0,0,0,0,0|1,0,0]=2 512 B8R1.5 c1ccc(c(c1)O)O TS01670 [1,0,0,0,0,0|1,0,0]=2 513 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,0,0,0,0,0|1,0,0]=2 514 B8R1.5 c1ccc(c(c1)P)P TS06642 [1,0,0,0,0,0|2,0,0]=3 515 B8R1.5 c1ccc(c(c1)S)Br TS50856 [1,0,0,0,0,0|1,1,0]=3 516 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [1,0,0,0,0,0|1,1,0]=3 517 B8R1.5 c1ccc(c(c1)S)S TS06772 [1,0,0,0,0,0|1,1,0]=3 518 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [1,0,0,0,0,0|2,0,1]=4 519 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [1,0,0,0,0,0|2,0,1]=4 520 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [1,0,0,0,0,0|2,0,1]=4 521 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [1,0,0,0,0,0|2,0,1]=4 522 B8R1.5 c1ccn(=O)c(c1)N TS04192 [1,0,0,0,0,0|2,0,1]=4 523 B8R1.5 c1ccn(=O)c(c1)O TS04239 [1,0,0,0,0,0|2,0,0]=3 524 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [1,0,0,0,0,0|2,0,1]=4 525 B8R1.5 c1cnc(c(n1)O)O TS04272 [1,0,0,0,0,0|3,0,0]=4 526 B8R1.5 c1cncc(c1Br)Br TS02534 [1,0,0,0,0,0|3,0,0]=4 527 B8R1.5 c1cncc(c1Br)Cl TS09572 [1,0,0,0,0,0|3,0,0]=4 528 B8R1.5 c1cncc(c1Br)F TS88832 [1,0,0,0,0,0|3,0,0]=4 529 B8R1.5 c1cncc(c1Br)I TS54679 [1,0,0,0,0,0|3,0,0]=4 530 B8R1.5 c1cncc(c1Br)N TS65852 [1,0,0,0,0,0|3,0,0]=4 531 B8R1.5 c1cncc(c1Br)O TS09582 [1,0,0,0,0,0|2,0,0]=3 532 B8R1.5 c1cncc(c1Cl)Br TS52758 [1,0,0,0,0,0|3,0,0]=4 533 B8R1.5 c1cncc(c1Cl)Br TS65918 [1,0,0,0,0,0|3,0,0]=4 534 B8R1.5 c1cncc(c1Cl)Cl TS15363 [1,0,0,0,0,0|3,0,0]=4 535 B8R1.5 c1cncc(c1Cl)Cl TS65745 [1,0,0,0,0,0|3,0,0]=4 536 B8R1.5 c1cncc(c1Cl)I TS57279 [1,0,0,0,0,0|3,0,0]=4 537 B8R1.5 c1cncc(c1Cl)N TS65854 [1,0,0,0,0,0|3,0,0]=4 538 B8R1.5 c1cncc(c1Cl)O TS09640 [1,0,0,0,0,0|2,0,0]=3 539 B8R1.5 c1cncc(c1F)Br TS09450 [1,0,0,0,0,0|3,0,0]=4 540 B8R1.5 c1cncc(c1F)Cl TS36634 [1,0,0,0,0,0|3,0,0]=4 541 B8R1.5 c1cncc(c1F)F TS32143 [1,0,0,0,0,0|3,0,0]=4 542 B8R1.5 c1cncc(c1I)Cl TS02697 [1,0,0,0,0,0|3,0,0]=4 543 B8R1.5 c1cncc(c1I)Cl TS85392 [1,0,0,0,0,0|3,0,0]=4 544 B8R1.5 c1cncc(c1I)F TS50244 [1,0,0,0,0,0|3,0,0]=4 545 B8R1.5 c1cncc(c1I)N TS09721 [1,0,0,0,0,0|3,0,0]=4 546 B8R1.5 c1cncc(c1I)N TS88838 [1,0,0,0,0,0|3,0,0]=4 547 B8R1.5 c1cncc(c1N)F TS70882 [1,0,0,0,0,0|3,0,0]=4 548 B8R1.5 c1cncc(c1N)F TS85432 [1,0,0,0,0,0|3,0,0]=4 549 B8R1.5 c1cncc(c1N)I TS70887 [1,0,0,0,0,0|3,0,0]=4 550 B8R1.5 c1cncc(c1N)N TS02530 [1,0,0,0,0,0|3,0,0]=4 551 B8R1.5 c1cncc(c1O)Br TS09465 [1,0,0,0,0,0|2,0,0]=3 552 B8R1.5 c1cncc(c1O)Cl TS02695 [1,0,0,0,0,0|2,0,0]=3 553 B8R1.5 c1cncc(c1O)F TS02748 [1,0,0,0,0,0|2,0,0]=3 554 B8R1.5 c1cncc(c1O)N TS65860 [1,0,0,0,0,0|2,0,0]=3 555 B8R1.5 c1cncc(c1O)O TS59374 [1,0,0,0,0,0|2,0,0]=3 556 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [0,1,0,0,0,0|2,0,0]=3 557 B10R1.2 CCc1cccc(c1C)C TS36862 [0,1,0,0,0,0|1,0,0]=2 558 B10R1.2 CCc1cccc(c1O)C TS06085 [0,1,0,0,0,0|0,0,0]=1 559 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.2 COc1cccc(c1Br)F TS08297 [0,1,0,0,0,0|2,0,0]=3 561 B10R1.2 COc1cccc(c1Br)N TS39650 [0,1,0,0,0,0|2,0,0]=3 562 B10R1.2 COc1cccc(c1Br)O TS38374 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [0,1,0,0,0,0|2,0,0]=3 564 B10R1.2 COc1cccc(c1Cl)N TS55195 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.2 COc1cccc(c1F)Br TS65479 [0,1,0,0,0,0|2,0,0]=3 566 B10R1.2 COc1cccc(c1F)Cl TS42232 [0,1,0,0,0,0|2,0,0]=3 567 B10R1.2 COc1cccc(c1F)F TS02338 [0,1,0,0,0,0|2,0,0]=3 568 B10R1.2 COc1cccc(c1F)O TS37550 [0,1,0,0,0,0|2,0,0]=3 569 B10R1.2 COc1cccc(c1I)F TS09365 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.2 COc1cccc(c1N)F TS55365 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.2 COc1cccc(c1O)Br TS87716 [0,1,0,0,0,0|1,0,0]=2 572 B10R1.2 COc1cccc(c1O)F TS65426 [0,1,0,0,0,0|1,0,0]=2 573 B10R1.2 COc1cccc(c1O)O TS60018 [0,1,0,0,0,0|1,0,0]=2 574 B10R1.2 COc1cccn(=O)c1Br TS19666 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.2 COc1ccnc(c1I)N TS62788 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [0,1,0,0,0,0|1,0,1]=3 577 B10R1.2 Cc1c(cccc1Cl)C#N TS41068 [0,1,0,0,0,0|2,0,1]=4 578 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [0,1,0,0,0,0|2,0,0]=3 579 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [0,1,0,0,0,0|2,0,0]=3 580 B10R1.2 Cc1c(cccc1F)C#N TS08978 [0,1,0,0,0,0|2,0,1]=4 581 B10R1.2 Cc1c(cccc1F)C=O TS08977 [0,1,0,0,0,0|2,0,1]=4 582 B10R1.2 Cc1c(cccc1F)CO TS09370 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.2 Cc1c(cccc1N)CO TS37119 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.2 Cc1c(cccc1OC)N TS70644 [0,1,0,0,0,0|2,0,0]=3 585 B10R1.2 Cc1cccc(c1C)C#N TS05675 [0,1,0,0,0,0|1,0,1]=3 586 B10R1.2 Cc1cccc(c1C)C=O TS59680 [0,1,0,0,0,0|1,0,1]=3 587 B10R1.2 Cc1cccc(c1C)CBr TS46745 [0,1,0,0,0,0|1,0,0]=2 588 B10R1.2 Cc1cccc(c1C)CCl TS41469 [0,1,0,0,0,0|1,0,0]=2 589 B10R1.2 Cc1cccc(c1C)CN TS36950 [0,1,0,0,0,0|1,0,0]=2 590 B10R1.2 Cc1cccc(c1C)CO TS37020 [0,1,0,0,0,0|1,0,0]=2 591 B10R1.2 Cc1cccc(c1C)NN TS13271 [0,1,0,0,0,0|2,0,0]=3 592 B10R1.2 Cc1cccc(c1C)NN TS51214 [0,1,0,0,0,0|2,0,0]=3 593 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,1,0,0,0,0|1,0,0]=2 594 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [0,1,0,0,0,0|1,0,1]=3 595 B10R1.2 Cc1cccc(c1F)C#N TS02161 [0,1,0,0,0,0|1,0,1]=3 596 B10R1.2 Cc1cccc(c1F)C=O TS37170 [0,1,0,0,0,0|1,0,1]=3 597 B10R1.2 Cc1cccc(c1F)CBr TS09289 [0,1,0,0,0,0|1,0,0]=2 598 B10R1.2 Cc1cccc(c1N)OC TS01100 [0,1,0,0,0,0|1,0,0]=2 599 B10R1.2 Cc1cccc(c1O)C=O TS36989 [0,1,0,0,0,0|0,0,1]=2 600 B10R1.2 Cc1cccc(c1O)OC TS55384 [0,1,0,0,0,0|0,0,0]=1 601 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [0,1,0,0,0,0|2,0,0]=3 602 B10R1.2 Cc1ccnc(c1Cl)C=O TS10624 [0,1,0,0,0,0|2,0,1]=4 603 B10R1.2 Cc1ccnc(c1F)C=O TS02040 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.2 Cc1ccnc(c1N)OC TS06277 [0,1,0,0,0,0|2,0,0]=3 605 B10R1.2 Cn1cccc(c1=O)CN TS89038 [0,1,0,0,0,0|1,0,1]=3 606 B10R1.2 Cn1cccc(c1=O)CO TS86425 [0,1,0,0,0,0|1,0,1]=3 607 B10R1.2 [C-]#[N+]c1cccc(c1Cl)Cl TS13101 [0,1,0,0,0,0|2,0,1]=4 608 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [0,1,0,0,0,0|2,0,1]=4 609 B10R1.2 c1cc(c(c(c1)Br)F)C#N TS01366 [0,1,0,0,0,0|2,0,1]=4 610 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [0,1,0,0,0,0|1,0,1]=3 611 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [0,1,0,0,0,0|1,0,1]=3 612 B10R1.2 c1cc(c(c(c1)Cl)Cl)C#N TS47150 [0,1,0,0,0,0|2,0,1]=4 613 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [0,1,0,0,0,0|2,0,1]=4 614 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [0,1,0,0,0,0|2,0,0]=3 615 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [0,1,0,0,0,0|2,0,0]=3 616 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [0,1,0,0,0,0|2,0,0]=3 617 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN TS21555 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.2 c1cc(c(c(c1)Cl)F)C#N TS65484 [0,1,0,0,0,0|2,0,1]=4 620 B10R1.2 c1cc(c(c(c1)Cl)F)C=O TS65968 [0,1,0,0,0,0|2,0,1]=4 621 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [0,1,0,0,0,0|2,0,0]=3 622 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [0,1,0,0,0,0|2,0,0]=3 623 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [0,1,0,0,0,0|2,0,0]=3 624 B10R1.2 c1cc(c(c(c1)Cl)F)NN TS65488 [0,1,0,0,0,0|3,0,0]=4 625 B10R1.2 c1cc(c(c(c1)Cl)N)C#N TS08289 [0,1,0,0,0,0|2,0,1]=4 626 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [0,1,0,0,0,0|1,0,1]=3 627 B10R1.2 c1cc(c(c(c1)F)Br)C#N TS65375 [0,1,0,0,0,0|2,0,1]=4 628 B10R1.2 c1cc(c(c(c1)F)Br)C=O TS38367 [0,1,0,0,0,0|2,0,1]=4 629 B10R1.2 c1cc(c(c(c1)F)Cl)C#N TS41553 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [0,1,0,0,0,0|2,0,1]=4 631 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [0,1,0,0,0,0|2,0,0]=3 632 B10R1.2 c1cc(c(c(c1)F)F)C#N TS00556 [0,1,0,0,0,0|2,0,1]=4 633 B10R1.2 c1cc(c(c(c1)F)F)C=O TS00555 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [0,1,0,0,0,0|2,0,0]=3 635 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [0,1,0,0,0,0|2,0,0]=3 636 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [0,1,0,0,0,0|2,0,0]=3 637 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [0,1,0,0,0,0|2,0,0]=3 638 B10R1.2 c1cc(c(c(c1)F)I)C#N TS62378 [0,1,0,0,0,0|2,0,1]=4 639 B10R1.2 c1cc(c(c(c1)F)I)C=O TS09366 [0,1,0,0,0,0|2,0,1]=4 640 B10R1.2 c1cc(c(c(c1)F)N)C#N TS47361 [0,1,0,0,0,0|2,0,1]=4 641 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [0,1,0,0,0,0|1,0,1]=3 642 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [0,1,0,0,0,0|1,0,1]=3 643 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [0,1,0,0,0,0|1,0,1]=3 644 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [0,1,0,0,0,0|2,0,1]=4 645 B10R1.2 c1cc(c(c(c1)O)F)C#N TS65413 [0,1,0,0,0,0|2,0,1]=4 646 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [0,1,0,0,0,0|1,0,1]=3 647 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [0,1,0,0,0,0|1,0,1]=3 648 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [0,1,0,0,0,0|1,0,0]=2 649 B10R1.22 C1=C(C(=O)C(=CC1=O)Br)Br TS73447 [0,1,0,0,0,0|2,0,1]=4 650 B10R1.22 C1=C(C(=O)C(=CC1=O)Cl)Cl TS13951 [0,1,0,0,0,0|2,0,1]=4 651 B10R1.22 C1=C(C(=O)C(=CC1=O)I)I TS79502 [0,1,0,0,0,0|2,0,1]=4 652 B10R1.22 CC1=CC(=O)C=C(C1=O)C TS00701 [0,1,0,0,0,0|0,0,1]=2 653 B10R1.22 Cc1c(c(cc(n1)F)I)Cl TS02703 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.22 Cc1c(c(nc(n1)N)C)Br TS47420 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.22 Cc1c(c(nc(n1)N)C)I TS27858 [0,1,0,0,0,0|3,0,0]=4 656 B10R1.22 Cc1c(cc(cc1Br)Br)Br TS63567 [0,1,0,0,0,0|3,0,0]=4 657 B10R1.22 Cc1c(cc(cc1Br)N)Br TS08848 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.22 Cc1c(cc(cc1Br)O)Br TS07731 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.22 Cc1c(cc(cc1F)F)F TS65335 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.22 Cc1c(cc(cc1O)O)O TS37338 [0,1,0,0,0,0|3,0,0]=4 661 B10R1.22 Cc1c(oc(=O)cc1O)C TS22853 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS24301 [0,1,0,0,0,0|2,0,0]=3 663 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS58008 [0,1,0,0,0,0|2,0,0]=3 664 B10R1.22 Cc1cc(c(c(c1)Br)F)C TS19505 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.22 Cc1cc(c(c(c1)Br)I)Br TS67028 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.22 Cc1cc(c(c(c1)Br)N)Br TS00691 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.22 Cc1cc(c(c(c1)Br)N)C TS55093 [0,1,0,0,0,0|2,0,0]=3 668 B10R1.22 Cc1cc(c(c(c1)Br)O)Br TS73451 [0,1,0,0,0,0|2,0,0]=3 669 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [0,1,0,0,0,0|1,0,0]=2 670 B10R1.22 Cc1cc(c(c(c1)C)Br)C TS39648 [0,1,0,0,0,0|1,0,0]=2 671 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [0,1,0,0,0,0|1,0,0]=2 672 B10R1.22 Cc1cc(c(c(c1)C)Cl)C TS41468 [0,1,0,0,0,0|1,0,0]=2 673 B10R1.22 Cc1cc(c(c(c1)C)F)C TS06285 [0,1,0,0,0,0|1,0,0]=2 674 B10R1.22 Cc1cc(c(c(c1)C)I)C TS27404 [0,1,0,0,0,0|1,0,0]=2 675 B10R1.22 Cc1cc(c(c(c1)C)N)C TS36959 [0,1,0,0,0,0|1,0,0]=2 676 B10R1.22 Cc1cc(c(c(c1)C)S)C TS41193 [0,1,0,0,0,0|0,1,0]=2 677 B10R1.22 Cc1cc(c(c(c1)Cl)N)C TS41560 [0,1,0,0,0,0|2,0,0]=3 678 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl TS13960 [0,1,0,0,0,0|2,0,0]=3 679 B10R1.22 Cc1cc(c(c(c1)F)F)F TS65443 [0,1,0,0,0,0|3,0,0]=4 680 B10R1.22 Cc1cc(c(c(c1)I)I)C TS66275 [0,1,0,0,0,0|2,0,0]=3 681 B10R1.22 Cc1cc(c(c(c1)I)N)C TS27557 [0,1,0,0,0,0|2,0,0]=3 682 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [0,1,0,0,0,0|1,0,0]=2 683 B10R1.22 Cc1cc(c(c(c1)N)N)C TS37045 [0,1,0,0,0,0|2,0,0]=3 684 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [0,1,0,0,0,0|1,0,0]=2 685 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [0,1,0,0,0,0|2,0,0]=3 686 B10R1.22 Cc1cc(c(c(c1)O)C)O TS06263 [0,1,0,0,0,0|3,0,0]=4 687 B10R1.22 Cc1cc(c(c(c1)O)Cl)C TS41728 [0,1,0,0,0,0|2,0,0]=3 688 B10R1.22 Cc1cc(c(c(c1)O)O)O TS06435 [0,1,0,0,0,0|2,0,0]=3 689 B10R1.22 Cc1cc(c(c(n1)Br)O)Br TS30359 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.22 Cc1cc(c(c(n1)C)Br)Br TS68906 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.22 Cc1cc(cc(c1Br)C)O TS16766 [0,1,0,0,0,0|1,0,0]=2 692 B10R1.22 Cc1cc(cc(c1C)C)N TS36941 [0,1,0,0,0,0|1,0,0]=2 693 B10R1.22 Cc1cc(cc(c1C)C)O TS06086 [0,1,0,0,0,0|1,0,0]=2 694 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [0,1,0,0,0,0|2,0,0]=3 695 B10R1.22 Cc1cc(cc(c1Cl)C)Br TS49665 [0,1,0,0,0,0|1,0,0]=2 696 B10R1.22 Cc1cc(cc(c1Cl)C)F TS09280 [0,1,0,0,0,0|1,0,0]=2 697 B10R1.22 Cc1cc(cc(c1Cl)C)O TS71031 [0,1,0,0,0,0|1,0,0]=2 698 B10R1.22 Cc1cc(cc(c1F)C)Br TS71422 [0,1,0,0,0,0|1,0,0]=2 699 B10R1.22 Cc1cc(cc(c1F)C)N TS37291 [0,1,0,0,0,0|1,0,0]=2 700 B10R1.22 Cc1cc(cc(c1F)F)F TS65310 [0,1,0,0,0,0|2,0,0]=3 701 B10R1.22 Cc1cc(cc(c1I)C)Br TS09785 [0,1,0,0,0,0|1,0,0]=2 702 B10R1.22 Cc1cc(cc(c1I)C)I TS66271 [0,1,0,0,0,0|1,0,0]=2 703 B10R1.22 Cc1cc(cc(c1I)C)N TS71190 [0,1,0,0,0,0|1,0,0]=2 704 B10R1.22 Cc1cc(cc(c1I)C)O TS16727 [0,1,0,0,0,0|1,0,0]=2 705 B10R1.22 Cc1cc(cc(c1I)Cl)Cl TS35012 [0,1,0,0,0,0|2,0,0]=3 706 B10R1.22 Cc1cc(cc(c1I)O)Cl TS73798 [0,1,0,0,0,0|2,0,0]=3 707 B10R1.22 Cc1cc(cc(c1N)Br)Br TS09264 [0,1,0,0,0,0|2,0,0]=3 708 B10R1.22 Cc1cc(cc(c1N)Br)F TS55103 [0,1,0,0,0,0|2,0,0]=3 709 B10R1.22 Cc1cc(cc(c1N)C)Br TS37845 [0,1,0,0,0,0|1,0,0]=2 710 B10R1.22 Cc1cc(cc(c1N)C)Cl TS51404 [0,1,0,0,0,0|1,0,0]=2 711 B10R1.22 Cc1cc(cc(c1N)C)Cl TS60056 [0,1,0,0,0,0|1,0,0]=2 712 B10R1.22 Cc1cc(cc(c1N)C)F TS37289 [0,1,0,0,0,0|1,0,0]=2 713 B10R1.22 Cc1cc(cc(c1N)C)I TS27561 [0,1,0,0,0,0|1,0,0]=2 714 B10R1.22 Cc1cc(cc(c1N)C)O TS06189 [0,1,0,0,0,0|1,0,0]=2 715 B10R1.22 Cc1cc(cc(c1N)Cl)Cl TS46042 [0,1,0,0,0,0|2,0,0]=3 716 B10R1.22 Cc1cc(cc(c1N)N)Br TS08702 [0,1,0,0,0,0|2,0,0]=3 717 B10R1.22 Cc1cc(cc(c1O)Br)Br TS73452 [0,1,0,0,0,0|1,0,0]=2 718 B10R1.22 Cc1cc(cc(c1O)C)Br TS38039 [0,1,0,0,0,0|0,0,0]=1 719 B10R1.22 Cc1cc(cc(c1O)C)Cl TS41719 [0,1,0,0,0,0|0,0,0]=1 720 B10R1.22 Cc1cc(cc(c1O)C)F TS37368 [0,1,0,0,0,0|0,0,0]=1 721 B10R1.22 Cc1cc(cc(c1O)C)I TS62511 [0,1,0,0,0,0|0,0,0]=1 722 B10R1.22 Cc1cc(cc(c1O)C)O TS32897 [0,1,0,0,0,0|0,0,0]=1 723 B10R1.22 Cc1cc(cc(c1O)Cl)Br TS50007 [0,1,0,0,0,0|1,0,0]=2 724 B10R1.22 Cc1cc(cc(c1O)Cl)Cl TS13954 [0,1,0,0,0,0|1,0,0]=2 725 B10R1.22 Cc1cc(nc(c1C)O)O TS06372 [0,1,0,0,0,0|3,0,0]=4 726 B10R1.22 Cc1cc(nc(c1N)Br)C TS08967 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.22 Cc1cc(nc(c1N)Cl)Cl TS40034 [0,1,0,0,0,0|3,0,0]=4 728 B10R1.22 Cc1cc(nc(c1N)N)Cl TS90979 [0,1,0,0,0,0|3,0,0]=4 729 B10R1.22 Cn1cc(cc(c1=O)N)Br TS85682 [0,1,0,0,0,0|2,0,1]=4 730 B10R1.22 c1c(c(c(nc1Br)Br)O)Br TS63739 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.22 c1c(cc(c(c1Br)Br)Br)Cl TS78958 [0,1,0,0,0,0|3,0,0]=4 732 B10R1.22 c1c(cc(c(c1Br)Br)Br)F TS63806 [0,1,0,0,0,0|3,0,0]=4 733 B10R1.22 c1c(cc(c(c1Br)Cl)Br)F TS57940 [0,1,0,0,0,0|3,0,0]=4 734 B10R1.22 c1c(cc(c(c1Br)F)Br)N TS02348 [0,1,0,0,0,0|3,0,0]=4 735 B10R1.22 c1c(cc(c(c1Br)I)Br)Br TS70336 [0,1,0,0,0,0|3,0,0]=4 736 B10R1.22 c1c(cc(c(c1Br)I)Br)Cl TS69121 [0,1,0,0,0,0|3,0,0]=4 737 B10R1.22 c1c(cc(c(c1Br)I)Br)F TS65352 [0,1,0,0,0,0|3,0,0]=4 738 B10R1.22 c1c(cc(c(c1Br)N)Br)Br TS77833 [0,1,0,0,0,0|3,0,0]=4 739 B10R1.22 c1c(cc(c(c1Br)N)Br)F TS65351 [0,1,0,0,0,0|3,0,0]=4 740 B10R1.22 c1c(cc(c(c1Br)O)Br)Br TS77913 [0,1,0,0,0,0|2,0,0]=3 741 B10R1.22 c1c(cc(c(c1Br)O)Br)F TS65353 [0,1,0,0,0,0|2,0,0]=3 742 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS30356 [0,1,0,0,0,0|2,0,0]=3 743 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS83137 [0,1,0,0,0,0|2,0,0]=3 744 B10R1.22 c1c(cc(c(c1Br)O)Br)O TS73692 [0,1,0,0,0,0|2,0,0]=3 745 B10R1.22 c1c(cc(c(c1Cl)Br)Br)Cl TS75781 [0,1,0,0,0,0|3,0,0]=4 746 B10R1.22 c1c(cc(c(c1Cl)Br)Cl)Cl TS29577 [0,1,0,0,0,0|3,0,0]=4 747 B10R1.22 c1c(cc(c(c1Cl)Cl)Br)Br TS75783 [0,1,0,0,0,0|3,0,0]=4 748 B10R1.22 c1c(cc(c(c1Cl)Cl)Br)Cl TS29578 [0,1,0,0,0,0|3,0,0]=4 749 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Br TS02061 [0,1,0,0,0,0|3,0,0]=4 750 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Cl TS16684 [0,1,0,0,0,0|3,0,0]=4 751 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)N TS22868 [0,1,0,0,0,0|3,0,0]=4 752 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)O TS65738 [0,1,0,0,0,0|3,0,0]=4 753 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Cl TS18871 [0,1,0,0,0,0|3,0,0]=4 754 B10R1.22 c1c(cc(c(c1Cl)F)Cl)F TS02103 [0,1,0,0,0,0|3,0,0]=4 755 B10R1.22 c1c(cc(c(c1Cl)F)Cl)N TS02353 [0,1,0,0,0,0|3,0,0]=4 756 B10R1.22 c1c(cc(c(c1Cl)I)Br)Br TS69122 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.22 c1c(cc(c(c1Cl)I)Br)Cl TS64806 [0,1,0,0,0,0|3,0,0]=4 758 B10R1.22 c1c(cc(c(c1Cl)I)Cl)Cl TS76183 [0,1,0,0,0,0|3,0,0]=4 759 B10R1.22 c1c(cc(c(c1Cl)N)Br)Br TS34866 [0,1,0,0,0,0|3,0,0]=4 760 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl TS57481 [0,1,0,0,0,0|3,0,0]=4 761 B10R1.22 c1c(cc(c(c1Cl)N)Br)F TS65387 [0,1,0,0,0,0|3,0,0]=4 762 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Br TS70954 [0,1,0,0,0,0|3,0,0]=4 763 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Cl TS18345 [0,1,0,0,0,0|3,0,0]=4 764 B10R1.22 c1c(cc(c(c1Cl)N)Cl)F TS47819 [0,1,0,0,0,0|3,0,0]=4 765 B10R1.22 c1c(cc(c(c1Cl)N)Cl)I TS35098 [0,1,0,0,0,0|3,0,0]=4 766 B10R1.22 c1c(cc(c(c1Cl)N)Cl)N TS13968 [0,1,0,0,0,0|3,0,0]=4 767 B10R1.22 c1c(cc(c(c1Cl)O)Br)Cl TS57628 [0,1,0,0,0,0|2,0,0]=3 768 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Br TS01805 [0,1,0,0,0,0|2,0,0]=3 769 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS18506 [0,1,0,0,0,0|2,0,0]=3 770 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS49659 [0,1,0,0,0,0|2,0,0]=3 771 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F TS14715 [0,1,0,0,0,0|2,0,0]=3 772 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS69386 [0,1,0,0,0,0|2,0,0]=3 773 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS70867 [0,1,0,0,0,0|2,0,0]=3 774 B10R1.22 c1c(cc(c(c1Cl)O)Cl)O TS14334 [0,1,0,0,0,0|2,0,0]=3 775 B10R1.22 c1c(cc(c(c1F)Br)Br)Br TS78039 [0,1,0,0,0,0|3,0,0]=4 776 B10R1.22 c1c(cc(c(c1F)Br)Br)Cl TS57941 [0,1,0,0,0,0|3,0,0]=4 777 B10R1.22 c1c(cc(c(c1F)Br)Br)F TS74181 [0,1,0,0,0,0|3,0,0]=4 778 B10R1.22 c1c(cc(c(c1F)Br)F)Cl TS32905 [0,1,0,0,0,0|3,0,0]=4 779 B10R1.22 c1c(cc(c(c1F)Br)F)F TS65332 [0,1,0,0,0,0|3,0,0]=4 780 B10R1.22 c1c(cc(c(c1F)Br)F)I TS77024 [0,1,0,0,0,0|3,0,0]=4 781 B10R1.22 c1c(cc(c(c1F)Br)F)N TS60391 [0,1,0,0,0,0|3,0,0]=4 782 B10R1.22 c1c(cc(c(c1F)Br)F)O TS70974 [0,1,0,0,0,0|3,0,0]=4 783 B10R1.22 c1c(cc(c(c1F)Cl)Br)Br TS57942 [0,1,0,0,0,0|3,0,0]=4 784 B10R1.22 c1c(cc(c(c1F)Cl)Br)Cl TS27076 [0,1,0,0,0,0|3,0,0]=4 785 B10R1.22 c1c(cc(c(c1F)Cl)F)Br TS39525 [0,1,0,0,0,0|3,0,0]=4 786 B10R1.22 c1c(cc(c(c1F)Cl)F)F TS12298 [0,1,0,0,0,0|3,0,0]=4 787 B10R1.22 c1c(cc(c(c1F)Cl)F)O TS65797 [0,1,0,0,0,0|3,0,0]=4 788 B10R1.22 c1c(cc(c(c1F)F)Br)F TS65309 [0,1,0,0,0,0|3,0,0]=4 789 B10R1.22 c1c(cc(c(c1F)F)Br)N TS65481 [0,1,0,0,0,0|3,0,0]=4 790 B10R1.22 c1c(cc(c(c1F)F)F)Br TS93273 [0,1,0,0,0,0|3,0,0]=4 791 B10R1.22 c1c(cc(c(c1F)F)F)Br TS93306 [0,1,0,0,0,0|3,0,0]=4 792 B10R1.22 c1c(cc(c(c1F)F)F)F TS07627 [0,1,0,0,0,0|3,0,0]=4 793 B10R1.22 c1c(cc(c(c1F)F)F)N TS60313 [0,1,0,0,0,0|3,0,0]=4 794 B10R1.22 c1c(cc(c(c1F)F)F)O TS65442 [0,1,0,0,0,0|3,0,0]=4 795 B10R1.22 c1c(cc(c(c1F)I)Br)Cl TS78193 [0,1,0,0,0,0|3,0,0]=4 796 B10R1.22 c1c(cc(c(c1F)I)Br)F TS16841 [0,1,0,0,0,0|3,0,0]=4 797 B10R1.22 c1c(cc(c(c1F)I)F)Br TS77022 [0,1,0,0,0,0|3,0,0]=4 798 B10R1.22 c1c(cc(c(c1F)I)F)N TS02197 [0,1,0,0,0,0|3,0,0]=4 799 B10R1.22 c1c(cc(c(c1F)N)Br)Br TS73824 [0,1,0,0,0,0|3,0,0]=4 800 B10R1.22 c1c(cc(c(c1F)N)Br)Cl TS23900 [0,1,0,0,0,0|3,0,0]=4 801 B10R1.22 c1c(cc(c(c1F)N)Br)F TS16839 [0,1,0,0,0,0|3,0,0]=4 802 B10R1.22 c1c(cc(c(c1F)N)Br)F TS57985 [0,1,0,0,0,0|3,0,0]=4 803 B10R1.22 c1c(cc(c(c1F)N)Cl)F TS08827 [0,1,0,0,0,0|3,0,0]=4 804 B10R1.22 c1c(cc(c(c1F)N)F)F TS65328 [0,1,0,0,0,0|3,0,0]=4 805 B10R1.22 c1c(cc(c(c1F)N)F)I TS09245 [0,1,0,0,0,0|3,0,0]=4 806 B10R1.22 c1c(cc(c(c1F)N)F)O TS07071 [0,1,0,0,0,0|3,0,0]=4 807 B10R1.22 c1c(cc(c(c1F)N)I)Cl TS74162 [0,1,0,0,0,0|3,0,0]=4 808 B10R1.22 c1c(cc(c(c1F)O)Br)Br TS73942 [0,1,0,0,0,0|2,0,0]=3 809 B10R1.22 c1c(cc(c(c1F)O)Br)F TS43579 [0,1,0,0,0,0|2,0,0]=3 810 B10R1.22 c1c(cc(c(c1F)O)Cl)Br TS16929 [0,1,0,0,0,0|2,0,0]=3 811 B10R1.22 c1c(cc(c(c1F)O)F)Br TS34643 [0,1,0,0,0,0|2,0,0]=3 812 B10R1.22 c1c(cc(c(c1F)O)F)F TS65333 [0,1,0,0,0,0|2,0,0]=3 813 B10R1.22 c1c(cc(c(c1F)O)F)N TS70870 [0,1,0,0,0,0|2,0,0]=3 814 B10R1.22 c1c(cc(c(c1I)N)I)I TS82798 [0,1,0,0,0,0|3,0,0]=4 815 B10R1.22 c1c(cc(c(c1I)O)I)I TS72266 [0,1,0,0,0,0|2,0,0]=3 816 B10R1.22 c1c(cc(c(c1I)O)I)O TS66458 [0,1,0,0,0,0|2,0,0]=3 817 B10R1.22 c1c(cc(c(c1N)Cl)F)F TS65391 [0,1,0,0,0,0|3,0,0]=4 818 B10R1.22 c1c(cc(c(c1N)F)F)F TS65303 [0,1,0,0,0,0|3,0,0]=4 819 B10R1.22 c1c(cc(c(c1N)N)Br)Br TS59142 [0,1,0,0,0,0|3,0,0]=4 820 B10R1.22 c1c(cc(c(c1N)N)F)F TS06921 [0,1,0,0,0,0|3,0,0]=4 821 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl TS22988 [0,1,0,0,0,0|2,0,0]=3 822 B10R1.22 c1c(cc(c(c1N)O)F)Br TS38917 [0,1,0,0,0,0|2,0,0]=3 823 B10R1.22 c1c(cc(c(c1N)O)F)F TS07070 [0,1,0,0,0,0|2,0,0]=3 824 B10R1.22 c1c(cc(c(c1O)Br)F)F TS43578 [0,1,0,0,0,0|3,0,0]=4 825 B10R1.22 c1c(cc(c(c1O)Cl)Cl)Cl TS85184 [0,1,0,0,0,0|3,0,0]=4 826 B10R1.22 c1c(cc(c(c1O)F)F)Br TS39524 [0,1,0,0,0,0|3,0,0]=4 827 B10R1.22 c1c(cc(c(c1O)F)F)F TS85185 [0,1,0,0,0,0|3,0,0]=4 828 B10R1.22 c1c(cc(c(c1O)I)Cl)Cl TS57983 [0,1,0,0,0,0|3,0,0]=4 829 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [0,1,0,0,0,0|2,0,0]=3 830 B10R1.119 Cc1c(c(c(cn1)Br)N)Br TS73453 [0,1,0,0,0,0|3,0,0]=4 831 B10R1.119 Cc1c(c(ccc1F)Br)C TS19504 [0,1,0,0,0,0|2,0,0]=3 832 B10R1.119 Cc1c(c(ccc1F)F)C TS46806 [0,1,0,0,0,0|2,0,0]=3 833 B10R1.119 Cc1c(c(ccc1N)F)C TS37296 [0,1,0,0,0,0|2,0,0]=3 834 B10R1.119 Cc1c(c(ccc1N)O)C TS37123 [0,1,0,0,0,0|2,0,0]=3 835 B10R1.119 Cc1c(c(ccc1O)Br)C TS38044 [0,1,0,0,0,0|2,0,0]=3 836 B10R1.119 Cc1c(c(ccc1O)F)C TS06458 [0,1,0,0,0,0|2,0,0]=3 837 B10R1.119 Cc1c(c(ccc1O)I)C TS62513 [0,1,0,0,0,0|2,0,0]=3 838 B10R1.119 Cc1c(c(ccc1O)O)C TS47167 [0,1,0,0,0,0|2,0,0]=3 839 B10R1.119 Cc1c(c(cnc1Cl)F)I TS74161 [0,1,0,0,0,0|3,0,0]=4 840 B10R1.119 Cc1c(c(cnc1Cl)F)O TS11465 [0,1,0,0,0,0|2,0,0]=3 841 B10R1.119 Cc1c(ccc(c1Cl)Br)N TS23185 [0,1,0,0,0,0|2,0,0]=3 842 B10R1.119 Cc1c(ccc(c1Cl)Cl)Cl TS52071 [0,1,0,0,0,0|2,0,0]=3 843 B10R1.119 Cc1c(ccc(c1Cl)N)Cl TS09224 [0,1,0,0,0,0|2,0,0]=3 844 B10R1.119 Cc1c(ccc(c1F)Br)F TS39121 [0,1,0,0,0,0|2,0,0]=3 845 B10R1.119 Cc1c(ccc(c1F)F)Br TS39120 [0,1,0,0,0,0|2,0,0]=3 846 B10R1.119 Cc1c(ccc(c1N)N)F TS16833 [0,1,0,0,0,0|2,0,0]=3 847 B10R1.119 Cc1c(cnc(c1Br)Cl)Br TS34870 [0,1,0,0,0,0|3,0,0]=4 848 B10R1.119 Cc1c(cnc(c1Br)F)Br TS73823 [0,1,0,0,0,0|3,0,0]=4 849 B10R1.119 Cc1c(cnc(c1Br)N)Br TS47356 [0,1,0,0,0,0|3,0,0]=4 850 B10R1.119 Cc1c(cnc(c1Br)O)Br TS30357 [0,1,0,0,0,0|3,0,0]=4 851 B10R1.119 Cc1c(cnc(c1Cl)N)Cl TS13970 [0,1,0,0,0,0|3,0,0]=4 852 B10R1.119 Cc1c(cnc(c1F)Cl)I TS74163 [0,1,0,0,0,0|3,0,0]=4 853 B10R1.119 Cc1c(cnc(c1I)N)Br TS61048 [0,1,0,0,0,0|3,0,0]=4 854 B10R1.119 Cc1c(cnc(c1N)N)Br TS38197 [0,1,0,0,0,0|3,0,0]=4 855 B10R1.119 Cc1c(cnc(c1N)N)Cl TS10918 [0,1,0,0,0,0|3,0,0]=4 856 B10R1.119 Cc1c(n(=O)ccc1Cl)C TS65124 [0,1,0,0,0,0|3,0,0]=4 857 B10R1.119 Cc1c[nH]c(=O)n(c1=O)C TS70686 [0,1,0,0,0,0|2,0,1]=4 858 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [0,1,0,0,0,0|1,0,0]=2 859 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [0,1,0,0,0,0|1,0,0]=2 860 B10R1.119 Cc1ccc(c(c1C)N)N TS37042 [0,1,0,0,0,0|2,0,0]=3 861 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [0,1,0,0,0,0|0,0,0]=1 862 B10R1.119 Cc1ccc(c(c1Cl)Br)Cl TS26441 [0,1,0,0,0,0|2,0,0]=3 863 B10R1.119 Cc1ccc(c(c1Cl)Cl)Cl TS52069 [0,1,0,0,0,0|2,0,0]=3 864 B10R1.119 Cc1ccc(c(c1Cl)N)Cl TS47288 [0,1,0,0,0,0|2,0,0]=3 865 B10R1.119 Cc1ccc(c(c1Cl)O)F TS42238 [0,1,0,0,0,0|2,0,0]=3 866 B10R1.119 Cc1ccc(c(c1F)C)Br TS19503 [0,1,0,0,0,0|1,0,0]=2 867 B10R1.119 Cc1ccc(c(c1F)F)F TS60224 [0,1,0,0,0,0|2,0,0]=3 868 B10R1.119 Cc1ccc(c(c1F)F)O TS06918 [0,1,0,0,0,0|2,0,0]=3 869 B10R1.119 Cc1ccc(c(c1F)O)Cl TS42236 [0,1,0,0,0,0|2,0,0]=3 870 B10R1.119 Cc1ccc(c(c1F)O)F TS06919 [0,1,0,0,0,0|2,0,0]=3 871 B10R1.119 Cc1ccc(c(c1I)C)I TS66274 [0,1,0,0,0,0|1,0,0]=2 872 B10R1.119 Cc1ccc(c(c1N)C)Cl TS10627 [0,1,0,0,0,0|1,0,0]=2 873 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [0,1,0,0,0,0|0,0,0]=1 874 B10R1.119 Cc1ccc(c(c1O)Cl)N TS16778 [0,1,0,0,0,0|1,0,0]=2 875 B10R1.119 Cn1ccc(=O)n(c1=O)C TS00376 [0,1,0,0,0,0|2,0,1]=4 876 B10R1.119 c1cc(c(c(c1Br)F)F)Br TS65283 [0,1,0,0,0,0|3,0,0]=4 877 B10R1.119 c1cc(c(c(c1Cl)Cl)Cl)Cl TS21963 [0,1,0,0,0,0|3,0,0]=4 878 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br TS87194 [0,1,0,0,0,0|3,0,0]=4 879 B10R1.119 c1cc(c(c(c1Cl)O)Cl)Cl TS18505 [0,1,0,0,0,0|2,0,0]=3 880 B10R1.119 c1cc(c(c(c1F)Cl)F)Cl TS46798 [0,1,0,0,0,0|3,0,0]=4 881 B10R1.119 c1cc(c(c(c1F)F)Br)F TS02325 [0,1,0,0,0,0|3,0,0]=4 882 B10R1.119 c1cc(c(c(c1F)F)F)Br TS60223 [0,1,0,0,0,0|3,0,0]=4 883 B10R1.119 c1cc(c(c(c1F)F)F)Cl TS43156 [0,1,0,0,0,0|3,0,0]=4 884 B10R1.119 c1cc(c(c(c1F)F)F)F TS16831 [0,1,0,0,0,0|3,0,0]=4 885 B10R1.119 c1cc(c(c(c1F)N)F)F TS65312 [0,1,0,0,0,0|3,0,0]=4 886 B10R1.119 c1cc(c(c(c1F)O)Cl)F TS65396 [0,1,0,0,0,0|2,0,0]=3 887 B10R1.119 c1cc(c(c(c1F)O)F)Cl TS42824 [0,1,0,0,0,0|2,0,0]=3 888 B10R1.119 c1cc(c(c(c1F)O)F)F TS40587 [0,1,0,0,0,0|2,0,0]=3 889 B10R1.119 c1cc(c(c(c1N)Cl)Cl)Br TS57482 [0,1,0,0,0,0|3,0,0]=4 890 B10R1.119 c1cc(c(c(c1N)Cl)Cl)Cl TS18347 [0,1,0,0,0,0|3,0,0]=4 891 B10R1.119 c1cc(c(c(c1N)Cl)Cl)F TS47817 [0,1,0,0,0,0|3,0,0]=4 892 B10R1.119 c1cc(c(c(c1N)F)Cl)Br TS60392 [0,1,0,0,0,0|3,0,0]=4 893 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl TS65446 [0,1,0,0,0,0|3,0,0]=4 894 B10R1.119 c1cc(c(c(c1N)F)Cl)F TS09342 [0,1,0,0,0,0|3,0,0]=4 895 B10R1.119 c1cc(c(c(c1N)F)Cl)O TS08675 [0,1,0,0,0,0|3,0,0]=4 896 B10R1.119 c1cc(c(c(c1N)F)F)Br TS00001 [0,1,0,0,0,0|3,0,0]=4 897 B10R1.119 c1cc(c(c(c1N)F)F)F TS40491 [0,1,0,0,0,0|3,0,0]=4 898 B10R1.119 c1cc(c(c(c1N)F)F)O TS08674 [0,1,0,0,0,0|3,0,0]=4 899 B10R1.119 c1cc(c(c(c1N)N)F)F TS06922 [0,1,0,0,0,0|3,0,0]=4 900 B10R1.119 c1cc(c(c(c1O)Cl)Cl)Cl TS47132 [0,1,0,0,0,0|3,0,0]=4 901 B10R1.119 c1cc(c(c(c1O)Cl)N)Cl TS65068 [0,1,0,0,0,0|3,0,0]=4 902 B10R1.119 c1cc(c(c(c1O)F)F)Br TS00002 [0,1,0,0,0,0|3,0,0]=4 903 B10R1.119 c1cc(c(c(c1O)F)F)F TS65299 [0,1,0,0,0,0|3,0,0]=4 904 B10R1.119 c1cc(c(c(c1O)F)F)I TS67794 [0,1,0,0,0,0|3,0,0]=4 905 B10R1.119 c1cc(c(c(c1O)F)F)O TS40362 [0,1,0,0,0,0|3,0,0]=4 906 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [0,1,0,0,0,0|3,0,0]=4 907 B10R1.245 CCc1c(cccc1C)C TS36867 [0,1,0,0,0,0|1,0,0]=2 908 B10R1.245 CNc1c(cccc1F)F TS93898 [0,1,0,0,0,0|3,0,0]=4 909 B10R1.245 COc1c(cccc1Br)Br TS65354 [0,1,0,0,0,0|2,0,0]=3 910 B10R1.245 COc1c(cccc1Br)F TS65034 [0,1,0,0,0,0|2,0,0]=3 911 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [0,1,0,0,0,0|2,0,0]=3 912 B10R1.245 COc1c(cccc1Cl)F TS42231 [0,1,0,0,0,0|2,0,0]=3 913 B10R1.245 COc1c(cccc1F)F TS09248 [0,1,0,0,0,0|2,0,0]=3 914 B10R1.245 COc1c(cccc1F)N TS70568 [0,1,0,0,0,0|2,0,0]=3 915 B10R1.245 COc1c(cccc1I)F TS65422 [0,1,0,0,0,0|2,0,0]=3 916 B10R1.245 COc1c(cccc1O)O TS37340 [0,1,0,0,0,0|2,0,0]=3 917 B10R1.245 COc1c(cncc1I)I TS22761 [0,1,0,0,0,0|3,0,0]=4 918 B10R1.245 C[n+]1cccc(c1C=O)O TS50820 [0,1,0,0,0,0|2,0,1]=4 919 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [0,1,0,0,0,0|2,0,0]=3 920 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [0,1,0,0,0,0|2,0,0]=3 921 B10R1.245 Cc1cccc(c1C#N)C TS05674 [0,1,0,0,0,0|1,0,0]=2 922 B10R1.245 Cc1cccc(c1C#N)F TS55368 [0,1,0,0,0,0|2,0,0]=3 923 B10R1.245 Cc1cccc(c1C#N)N TS39260 [0,1,0,0,0,0|2,0,0]=3 924 B10R1.245 Cc1cccc(c1C#N)O TS16697 [0,1,0,0,0,0|2,0,0]=3 925 B10R1.245 Cc1cccc(c1C=C)C TS36710 [0,1,0,0,0,0|1,0,0]=2 926 B10R1.245 Cc1cccc(c1C=O)C TS47323 [0,1,0,0,0,0|0,0,1]=2 927 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [0,1,0,0,0,0|1,0,1]=3 928 B10R1.245 Cc1cccc(c1CBr)C TS47325 [0,1,0,0,0,0|1,0,0]=2 929 B10R1.245 Cc1cccc(c1CCl)C TS47326 [0,1,0,0,0,0|1,0,0]=2 930 B10R1.245 Cc1cccc(c1CN)C TS36957 [0,1,0,0,0,0|1,0,0]=2 931 B10R1.245 Cc1cccc(c1CO)C TS06075 [0,1,0,0,0,0|0,0,0]=1 932 B10R1.245 Cc1cccc(c1NN)C TS13272 [0,1,0,0,0,0|1,0,0]=2 933 B10R1.245 Cc1cccc(c1OC)C TS09255 [0,1,0,0,0,0|0,0,0]=1 934 B10R1.245 Cc1cccc(c1SC)C TS41197 [0,1,0,0,0,0|0,1,0]=2 935 B10R1.245 Cc1cccc(c1[N+]#[C-])C TS05670 [0,1,0,0,0,0|1,0,0]=2 936 B10R1.245 Cc1ccnc(c1C#N)Br TS18389 [0,1,0,0,0,0|3,0,0]=4 937 B10R1.245 Cc1ccnc(c1C#N)Cl TS10250 [0,1,0,0,0,0|3,0,0]=4 938 B10R1.245 Cc1ccnc(c1C#N)N TS36768 [0,1,0,0,0,0|3,0,0]=4 939 B10R1.245 Cc1ccnc(c1C#N)O TS36817 [0,1,0,0,0,0|3,0,0]=4 940 B10R1.245 Cc1ccnc(c1C=O)Cl TS10613 [0,1,0,0,0,0|2,0,1]=4 941 B10R1.245 Cc1ccnc(c1C=O)F TS37275 [0,1,0,0,0,0|2,0,1]=4 942 B10R1.245 Cc1cncc(c1C=O)Br TS18934 [0,1,0,0,0,0|2,0,1]=4 943 B10R1.245 Cc1cncc(c1C=O)C TS36920 [0,1,0,0,0,0|1,0,1]=3 944 B10R1.245 Cc1cncc(c1CO)C TS06185 [0,1,0,0,0,0|1,0,0]=2 945 B10R1.245 c1cc(c(c(c1)Br)C#N)F TS55358 [0,1,0,0,0,0|3,0,0]=4 946 B10R1.245 c1cc(c(c(c1)Br)C=O)F TS55144 [0,1,0,0,0,0|2,0,1]=4 947 B10R1.245 c1cc(c(c(c1)Br)C=O)N TS18935 [0,1,0,0,0,0|2,0,1]=4 948 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [0,1,0,0,0,0|2,0,1]=4 949 B10R1.245 c1cc(c(c(c1)Br)CBr)Cl TS08815 [0,1,0,0,0,0|3,0,0]=4 950 B10R1.245 c1cc(c(c(c1)Br)CBr)F TS30473 [0,1,0,0,0,0|3,0,0]=4 951 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [0,1,0,0,0,0|2,0,0]=3 952 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS13099 [0,1,0,0,0,0|3,0,0]=4 953 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS93133 [0,1,0,0,0,0|3,0,0]=4 954 B10R1.245 c1cc(c(c(c1)Cl)C#N)F TS65402 [0,1,0,0,0,0|3,0,0]=4 955 B10R1.245 c1cc(c(c(c1)Cl)C#N)N TS41214 [0,1,0,0,0,0|3,0,0]=4 956 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [0,1,0,0,0,0|3,0,0]=4 957 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl TS47296 [0,1,0,0,0,0|2,0,1]=4 958 B10R1.245 c1cc(c(c(c1)Cl)C=O)F TS55255 [0,1,0,0,0,0|2,0,1]=4 959 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [0,1,0,0,0,0|2,0,1]=4 960 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl TS65356 [0,1,0,0,0,0|3,0,0]=4 961 B10R1.245 c1cc(c(c(c1)Cl)CBr)F TS65404 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl TS52073 [0,1,0,0,0,0|3,0,0]=4 963 B10R1.245 c1cc(c(c(c1)Cl)CCl)F TS47664 [0,1,0,0,0,0|3,0,0]=4 964 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl TS13766 [0,1,0,0,0,0|3,0,0]=4 965 B10R1.245 c1cc(c(c(c1)Cl)CN)F TS11186 [0,1,0,0,0,0|3,0,0]=4 966 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [0,1,0,0,0,0|2,0,0]=3 967 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [0,1,0,0,0,0|2,0,0]=3 968 B10R1.245 c1cc(c(c(c1)Cl)CS)F TS46193 [0,1,0,0,0,0|2,1,0]=4 969 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl TS59932 [0,1,0,0,0,0|3,0,0]=4 970 B10R1.245 c1cc(c(c(c1)Cl)NN)F TS42241 [0,1,0,0,0,0|3,0,0]=4 971 B10R1.245 c1cc(c(c(c1)F)C#N)F TS34652 [0,1,0,0,0,0|3,0,0]=4 972 B10R1.245 c1cc(c(c(c1)F)C#N)N TS65370 [0,1,0,0,0,0|3,0,0]=4 973 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [0,1,0,0,0,0|3,0,0]=4 974 B10R1.245 c1cc(c(c(c1)F)C=O)F TS34649 [0,1,0,0,0,0|2,0,1]=4 975 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [0,1,0,0,0,0|2,0,1]=4 976 B10R1.245 c1cc(c(c(c1)F)CBr)F TS34656 [0,1,0,0,0,0|3,0,0]=4 977 B10R1.245 c1cc(c(c(c1)F)CCl)F TS09249 [0,1,0,0,0,0|3,0,0]=4 978 B10R1.245 c1cc(c(c(c1)F)CN)F TS34655 [0,1,0,0,0,0|3,0,0]=4 979 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [0,1,0,0,0,0|2,0,0]=3 980 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F TS33415 [0,1,0,0,0,0|3,0,0]=4 981 B10R1.245 c1cc(c(c(c1)F)NN)F TS09250 [0,1,0,0,0,0|3,0,0]=4 982 B10R1.245 c1cc(c(c(c1)F)NN)F TS47308 [0,1,0,0,0,0|3,0,0]=4 983 B10R1.245 c1cc(c(c(c1)I)C#N)F TS55364 [0,1,0,0,0,0|3,0,0]=4 984 B10R1.245 c1cc(c(c(c1)I)C=O)F TS01227 [0,1,0,0,0,0|2,0,1]=4 985 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [0,1,0,0,0,0|3,0,0]=4 986 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [0,1,0,0,0,0|2,0,1]=4 987 B10R1.245 c1cnc(c(c1I)CO)Cl TS07710 [0,1,0,0,0,0|3,0,0]=4 988 B10R1.245 c1cnc(c(c1I)CO)F TS39273 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.6 CC=CC=CC(=O)NO TS36227 [0,0,1,0,0,0|2,0,0]=3 990 B8R0.6 CC=CC=CC(=O)OC TS05163 [0,0,1,0,0,0|3,0,0]=4 991 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [0,0,0,1,0,0|2,0,0]=3 992 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [0,0,0,1,0,0|2,0,0]=3 993 B8R1.50 C1=CC(=O)N(C1=O)O TS31997 [0,0,0,0,1,0|3,0,0]=4 994 B8R1.50 Cc1c(c(n[nH]1)C)Br TS09569 [0,0,0,0,1,0|3,0,0]=4 995 B8R1.50 Cc1c(c(n[nH]1)C)Cl TS36571 [0,0,0,0,1,0|3,0,0]=4 996 B8R1.50 Cc1c(c(n[nH]1)C)I TS02203 [0,0,0,0,1,0|3,0,0]=4 997 B8R1.50 Cc1c(c(n[nH]1)C)N TS31882 [0,0,0,0,1,0|3,0,0]=4 998 B8R1.50 Cc1c(c(on1)C)Br TS39325 [0,0,0,0,1,0|3,0,0]=4 999 B8R1.50 Cc1c(c(on1)C)I TS65803 [0,0,0,0,1,0|3,0,0]=4 1000 B8R1.50 Cc1c(c(on1)C)N TS04295 [0,0,0,0,1,0|3,0,0]=4 1001 B8R1.50 Cc1c(n(cn1)C)C TS04206 [0,0,0,0,1,0|3,0,0]=4 1002 B8R1.50 Cc1ccc(n1C)C TS31807 [0,0,0,0,1,0|2,0,0]=3 1003 B8R1.50 Cc1csc(=S)n1O TS40572 [0,0,0,0,1,0|3,0,0]=4 1004 B8R1.50 Cc1csc([n+]1C)C TS28734 [0,0,0,0,1,0|3,0,0]=4 1005 B8R1.50 Cc1csc(c1Br)Br TS07689 [0,0,0,0,1,0|3,0,0]=4 1006 B8R1.50 Cc1n(cc[n+]1C)C TS26128 [0,0,0,0,1,0|3,0,0]=4 1007 B8R1.50 Cc1n(cc[n+]1C)C TS50144 [0,0,0,0,1,0|3,0,0]=4 1008 B8R1.50 Cn1ccn(c1=S)C TS36321 [0,0,0,0,1,0|2,1,0]=4 1009 B7R0.5 CC(=C)C(=O)OC=C TS31917 [1,0,1,0,0,0|1,0,1]=4 1010 B7R0.3 COC(=O)C=CC=C TS31908 [1,0,1,0,0,0|1,0,1]=4 1011 B7R0.7 CC=CC(=O)OC=C TS31901 [1,0,1,0,0,0|2,0,0]=4 1012 B7R0.7 CC=CC(C)CC=C TS04219 [1,0,1,0,0,0|0,0,2]=4 1013 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|0,0,2]=4 1014 B7R0.1 CCC=CC=CCO TS31934 [1,0,1,0,0,0|0,0,2]=4 1015 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,1,0,0,0|0,0,1]=3 1016 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|1,0,0]=3 1017 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [1,0,1,0,0,0|1,0,1]=4 1018 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [1,0,1,0,0,0|1,0,1]=4 1019 B7R0.4 CC=CCCC(=C)C TS04225 [1,0,1,0,0,0|0,0,2]=4 1020 B7R1.3 B=N1=CC=CC=C1 TS71871 [2,0,0,0,0,0|2,0,0]=4 1021 B7R1.3 CC1CC=CC=C1 TS03676 [2,0,0,0,0,0|0,0,2]=4 1022 B7R1.3 C[n+]1ccccc1 TS05508 [2,0,0,0,0,0|1,0,0]=3 1023 B7R1.3 C[n+]1ccccc1 TS45717 [2,0,0,0,0,0|1,0,0]=3 1024 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|0,0,0]=2 1025 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,0]=3 1026 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,0]=3 1027 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,0]=3 1028 B7R1.3 Cc1cccnn1 TS70675 [2,0,0,0,0,0|2,0,0]=4 1029 B7R1.3 Cc1ccncc1 TS02242 [2,0,0,0,0,0|1,0,0]=3 1030 B7R1.3 Cc1ccncn1 TS71236 [2,0,0,0,0,0|2,0,0]=4 1031 B7R1.3 Cc1ccnnc1 TS03181 [2,0,0,0,0,0|2,0,0]=4 1032 B7R1.3 Cc1cnccn1 TS02445 [2,0,0,0,0,0|2,0,0]=4 1033 B7R1.3 Cc1cncnc1 TS01164 [2,0,0,0,0,0|2,0,0]=4 1034 B7R1.3 Cc1ncccn1 TS59978 [2,0,0,0,0,0|2,0,0]=4 1035 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|1,0,0]=3 1036 B7R1.3 c1c(cncn1)O TS03344 [2,0,0,0,0,0|2,0,0]=4 1037 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 1038 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 1039 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 1040 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 1041 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|2,0,0]=4 1042 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|1,0,0]=3 1043 B7R1.3 c1cc(nnc1)O TS91073 [2,0,0,0,0,0|2,0,0]=4 1044 B7R1.3 c1cc[n+](cc1)F TS15405 [2,0,0,0,0,0|2,0,0]=4 1045 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|2,0,0]=4 1046 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|1,0,0]=3 1047 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|1,0,0]=3 1048 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|1,0,0]=3 1049 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|1,0,0]=3 1050 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|1,0,0]=3 1051 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|1,0,0]=3 1052 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|1,0,0]=3 1053 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|1,0,0]=3 1054 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|1,0,0]=3 1055 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|1,0,0]=3 1056 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|1,0,0]=3 1057 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|0,0,0]=2 1058 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|1,0,0]=3 1059 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|0,1,0]=3 1060 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|1,0,0]=3 1061 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|0,0,1]=3 1062 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|0,0,1]=3 1063 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|0,1,0]=3 1064 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|0,1,0]=3 1065 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|0,1,0]=3 1066 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|1,0,0]=3 1067 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|1,0,1]=4 1068 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 1069 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 1070 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 1071 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 1072 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|1,0,0]=3 1073 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|1,1,0]=4 1074 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 1075 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|1,0,1]=4 1076 B7R1.3 c1cnc(cn1)O TS55403 [2,0,0,0,0,0|2,0,0]=4 1077 B7R1.3 c1cnc(nc1)O TS13789 [2,0,0,0,0,0|2,0,0]=4 1078 B7R1.3 c1cnc(nc1)O TS55405 [2,0,0,0,0,0|2,0,0]=4 1079 B7R1.3 c1cnc(nc1)O TS55406 [2,0,0,0,0,0|2,0,0]=4 1080 B7R1.3 c1cnccc1Br TS57179 [2,0,0,0,0,0|2,0,0]=4 1081 B7R1.3 c1cnccc1Cl TS09693 [2,0,0,0,0,0|2,0,0]=4 1082 B7R1.3 c1cnccc1I TS09722 [2,0,0,0,0,0|2,0,0]=4 1083 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|2,0,0]=4 1084 B7R1.3 c1cnccc1O TS87252 [2,0,0,0,0,0|1,0,0]=3 1085 B7R1.3 c1cnccc1S TS31884 [2,0,0,0,0,0|1,1,0]=4 1086 B7R1.3 c1cncnc1O TS03137 [2,0,0,0,0,0|2,0,0]=4 1087 B7R1.3 c1cncnc1O TS15021 [2,0,0,0,0,0|2,0,0]=4 1088 B7R1.3 c1cncnc1O TS16881 [2,0,0,0,0,0|2,0,0]=4 1089 B7R1.3 c1cnncc1O TS03136 [2,0,0,0,0,0|2,0,0]=4 1090 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|1,0,1]=4 1091 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,1,0,0,0,0|1,0,1]=4 1092 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,1,0,0,0,0|1,0,1]=4 1093 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,1,0,0,0,0|1,0,1]=4 1094 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,1,0,0,0,0|1,0,1]=4 1095 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,1,0,0,0,0|1,0,1]=4 1096 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|1,0,1]=4 1097 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|1,0,1]=4 1098 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|1,0,1]=4 1099 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|1,0,1]=4 1100 B9R1.2 CC[n+]1cccc(c1)O TS38523 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,1,0,0,0,0|2,0,0]=4 1102 B9R1.2 CCc1cccc(c1)Br TS32764 [1,1,0,0,0,0|1,0,0]=3 1103 B9R1.2 CCc1cccc(c1)C TS04835 [1,1,0,0,0,0|0,0,0]=2 1104 B9R1.2 CCc1cccc(c1)N TS32463 [1,1,0,0,0,0|1,0,0]=3 1105 B9R1.2 CCc1cccc(c1)O TS04895 [1,1,0,0,0,0|1,0,0]=3 1106 B9R1.2 CCc1cccc(n1)C TS32466 [1,1,0,0,0,0|1,0,0]=3 1107 B9R1.2 CCc1cccc(n1)N TS60098 [1,1,0,0,0,0|2,0,0]=4 1108 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,1,0,0,0,0|2,0,0]=4 1109 B9R1.2 CCc1ccnc(c1)C TS32469 [1,1,0,0,0,0|1,0,0]=3 1110 B9R1.2 CCc1ccnc(c1)N TS71108 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.2 CNc1cccc(c1)Br TS48829 [1,1,0,0,0,0|1,0,0]=3 1113 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,1,0,0,0,0|1,0,0]=3 1114 B9R1.2 CNc1cccc(c1)F TS70598 [1,1,0,0,0,0|1,0,0]=3 1115 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.2 COc1cc(ccn1)F TS05258 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.2 COc1cc(ccn1)I TS71184 [1,1,0,0,0,0|2,0,0]=4 1119 B9R1.2 COc1cc(ccn1)N TS02966 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.2 COc1cc(cnc1)Br TS65932 [1,1,0,0,0,0|2,0,0]=4 1121 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.2 COc1cc(cnc1)I TS25666 [1,1,0,0,0,0|2,0,0]=4 1123 B9R1.2 COc1cc(cnc1)N TS55470 [1,1,0,0,0,0|2,0,0]=4 1124 B9R1.2 COc1cc(cnc1)N TS89352 [1,1,0,0,0,0|2,0,0]=4 1125 B9R1.2 COc1cc(cnc1)O TS55469 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.2 COc1cccc(c1)Br TS00028 [1,1,0,0,0,0|1,0,0]=3 1129 B9R1.2 COc1cccc(c1)Cl TS37686 [1,1,0,0,0,0|1,0,0]=3 1130 B9R1.2 COc1cccc(c1)F TS70591 [1,1,0,0,0,0|1,0,0]=3 1131 B9R1.2 COc1cccc(c1)I TS39445 [1,1,0,0,0,0|1,0,0]=3 1132 B9R1.2 COc1cccc(c1)N TS02081 [1,1,0,0,0,0|1,0,0]=3 1133 B9R1.2 COc1cccc(c1)N TS11191 [1,1,0,0,0,0|1,0,0]=3 1134 B9R1.2 COc1cccc(c1)O TS39714 [1,1,0,0,0,0|1,0,0]=3 1135 B9R1.2 COc1cccc(c1)S TS70650 [1,1,0,0,0,0|1,0,0]=3 1136 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,1,0,0,0,0|1,0,0]=3 1137 B9R1.2 COc1cccc(n1)Br TS08366 [1,1,0,0,0,0|2,0,0]=4 1138 B9R1.2 COc1cccc(n1)Cl TS55270 [1,1,0,0,0,0|2,0,0]=4 1139 B9R1.2 COc1cccc(n1)I TS56597 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.2 COc1cccc(n1)O TS05074 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.2 COc1ccnc(c1)Br TS08328 [1,1,0,0,0,0|2,0,0]=4 1142 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.2 COc1ccnc(c1)N TS47406 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|1,0,0]=3 1145 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|1,0,0]=3 1146 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|1,0,0]=3 1147 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|1,0,0]=3 1148 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|1,0,0]=3 1149 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,1,0,0,0,0|2,0,0]=4 1150 B9R1.2 Cc1cc(ccn1)C#N TS04726 [1,1,0,0,0,0|1,0,1]=4 1151 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,1,0,0,0,0|1,0,1]=4 1152 B9R1.2 Cc1cc(cnc1)C#N TS46458 [1,1,0,0,0,0|1,0,1]=4 1153 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,1,0,0,0,0|1,0,1]=4 1154 B9R1.2 Cc1cc(cnc1)CCl TS46377 [1,1,0,0,0,0|1,0,0]=3 1155 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,1,0,0,0,0|1,0,0]=3 1156 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,1,0,0,0,0|1,0,0]=3 1157 B9R1.2 Cc1cc(ncn1)CO TS85804 [1,1,0,0,0,0|2,0,0]=4 1158 B9R1.2 Cc1cc(nnc1)CN TS92511 [1,1,0,0,0,0|2,0,0]=4 1159 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,1,0,0,0,0|0,0,1]=3 1160 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,1,0,0,0,0|0,0,1]=3 1161 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|0,0,1]=3 1162 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,1,0,0,0,0|0,0,0]=2 1163 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,1,0,0,0,0|0,0,0]=2 1164 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|0,0,0]=2 1165 B9R1.2 Cc1cccc(c1)CO TS04903 [1,1,0,0,0,0|0,0,0]=2 1166 B9R1.2 Cc1cccc(c1)CS TS06306 [1,1,0,0,0,0|0,0,0]=2 1167 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,1,0,0,0,0|0,0,0]=2 1168 B9R1.2 Cc1cccc(c1)NC TS32467 [1,1,0,0,0,0|0,0,0]=2 1169 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|1,0,0]=3 1170 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|1,0,0]=3 1171 B9R1.2 Cc1cccc(c1)OC TS32509 [1,1,0,0,0,0|0,0,0]=2 1172 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,1,0,0,0,0|1,0,0]=3 1173 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,1,0,0,0,0|1,0,0]=3 1174 B9R1.2 Cc1cccc(n1)C#N TS55295 [1,1,0,0,0,0|1,0,1]=4 1175 B9R1.2 Cc1cccc(n1)C=C TS04794 [1,1,0,0,0,0|1,0,1]=4 1176 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,1,0,0,0,0|1,0,1]=4 1177 B9R1.2 Cc1cccc(n1)CBr TS30360 [1,1,0,0,0,0|1,0,0]=3 1178 B9R1.2 Cc1cccc(n1)CBr TS48832 [1,1,0,0,0,0|1,0,0]=3 1179 B9R1.2 Cc1cccc(n1)CCl TS46378 [1,1,0,0,0,0|1,0,0]=3 1180 B9R1.2 Cc1cccc(n1)CN TS01962 [1,1,0,0,0,0|1,0,0]=3 1181 B9R1.2 Cc1cccc(n1)CO TS04961 [1,1,0,0,0,0|1,0,0]=3 1182 B9R1.2 Cc1cccc(n1)OC TS00087 [1,1,0,0,0,0|1,0,0]=3 1183 B9R1.2 Cc1ccnc(c1)C#N TS55293 [1,1,0,0,0,0|1,0,1]=4 1184 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,1,0,0,0,0|1,0,1]=4 1185 B9R1.2 Cc1ccnc(c1)CN TS04912 [1,1,0,0,0,0|1,0,0]=3 1186 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,1,0,0,0,0|1,0,0]=3 1187 B9R1.2 Cc1ccnc(n1)CCl TS89308 [1,1,0,0,0,0|2,0,0]=4 1188 B9R1.2 Cc1ccnc(n1)CN TS87070 [1,1,0,0,0,0|2,0,0]=4 1189 B9R1.2 Cc1ccnc(n1)CO TS89016 [1,1,0,0,0,0|2,0,0]=4 1190 B9R1.2 Cc1ccnc(n1)SC TS85152 [1,1,0,0,0,0|2,0,0]=4 1191 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,1,0,0,0,0|1,0,1]=4 1192 B9R1.2 c1c(cncc1Br)CCl TS26941 [1,1,0,0,0,0|2,0,0]=4 1193 B9R1.2 c1c(cncc1Br)CN TS49021 [1,1,0,0,0,0|2,0,0]=4 1194 B9R1.2 c1c(cncc1Br)CO TS16995 [1,1,0,0,0,0|2,0,0]=4 1195 B9R1.2 c1c(cncc1Cl)CCl TS91325 [1,1,0,0,0,0|2,0,0]=4 1196 B9R1.2 c1c(cncc1Cl)CO TS08050 [1,1,0,0,0,0|2,0,0]=4 1197 B9R1.2 c1c(cncc1F)CCl TS91777 [1,1,0,0,0,0|2,0,0]=4 1198 B9R1.2 c1c(cncc1F)CN TS90364 [1,1,0,0,0,0|2,0,0]=4 1199 B9R1.2 c1c(cncc1F)CO TS86069 [1,1,0,0,0,0|2,0,0]=4 1200 B9R1.2 c1c(cncc1I)CCl TS58052 [1,1,0,0,0,0|2,0,0]=4 1201 B9R1.2 c1c(cncc1I)CO TS56598 [1,1,0,0,0,0|2,0,0]=4 1202 B9R1.2 c1c(cncc1N)CO TS32612 [1,1,0,0,0,0|2,0,0]=4 1203 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [1,1,0,0,0,0|2,0,0]=4 1204 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [1,1,0,0,0,0|2,0,0]=4 1205 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,1,0,0,0,0|1,0,1]=4 1206 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|1,0,1]=4 1207 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,1,0,0,0,0|1,0,0]=3 1208 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,1,0,0,0,0|1,0,0]=3 1209 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|1,0,0]=3 1210 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|1,0,0]=3 1211 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,1,0,0,0,0|1,0,0]=3 1212 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,1,0,0,0,0|1,0,0]=3 1213 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|2,0,0]=4 1214 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,1,0,0,0,0|1,0,1]=4 1215 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|1,0,1]=4 1216 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,1,0,0,0,0|1,0,0]=3 1217 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,1,0,0,0,0|1,0,0]=3 1218 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|1,0,0]=3 1219 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,1,0,0,0,0|1,0,0]=3 1220 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,1,0,0,0,0|2,0,0]=4 1221 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,1,0,0,0,0|1,0,1]=4 1222 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|1,0,1]=4 1223 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,1,0,0,0,0|1,0,0]=3 1224 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,1,0,0,0,0|1,0,0]=3 1225 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|1,0,0]=3 1226 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,1,0,0,0,0|1,0,0]=3 1227 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,1,0,0,0,0|1,0,0]=3 1228 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,1,0,0,0,0|1,0,1]=4 1229 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|1,0,1]=4 1230 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,1,0,0,0,0|1,0,0]=3 1231 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|1,0,0]=3 1232 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|1,0,0]=3 1233 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,1,0,0,0,0|1,0,0]=3 1234 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,1,0,0,0,0|1,0,1]=4 1235 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|1,0,1]=4 1236 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|1,0,1]=4 1237 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|1,0,0]=3 1238 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,1,0,0,0,0|1,0,0]=3 1239 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,1,0,0,0,0|1,0,1]=4 1240 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|1,0,1]=4 1241 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,1,0,0,0,0|1,0,0]=3 1242 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,1,0,0,0,0|1,0,0]=3 1243 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,1,0,0,0,0|1,0,0]=3 1244 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,1,0,0,0,0|1,0,1]=4 1246 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [1,1,0,0,0,0|2,0,0]=4 1247 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [1,1,0,0,0,0|2,0,0]=4 1248 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [1,1,0,0,0,0|2,0,0]=4 1249 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [1,1,0,0,0,0|2,0,0]=4 1251 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [1,1,0,0,0,0|2,0,0]=4 1252 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.2 c1cc(nc(c1)I)CO TS25668 [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.2 c1cnc(cc1Br)CN TS39553 [1,1,0,0,0,0|2,0,0]=4 1255 B9R1.2 c1cnc(cc1Br)CN TS87352 [1,1,0,0,0,0|2,0,0]=4 1256 B9R1.2 c1cnc(cc1Br)CO TS08030 [1,1,0,0,0,0|2,0,0]=4 1257 B9R1.2 c1cnc(cc1CCl)N TS37692 [1,1,0,0,0,0|2,0,0]=4 1258 B9R1.2 c1cnc(cc1CN)Cl TS06803 [1,1,0,0,0,0|2,0,0]=4 1259 B9R1.2 c1cnc(cc1CN)N TS03001 [1,1,0,0,0,0|2,0,0]=4 1260 B9R1.2 c1cnc(cc1CO)Br TS00864 [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.2 c1cnc(cc1CO)Cl TS46504 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.2 c1cnc(cc1CO)F TS36210 [1,1,0,0,0,0|2,0,0]=4 1263 B9R1.2 c1cnc(cc1CO)N TS00819 [1,1,0,0,0,0|2,0,0]=4 1264 B9R1.2 c1cnc(cc1Cl)CN TS37691 [1,1,0,0,0,0|2,0,0]=4 1265 B9R1.2 c1cnc(cc1Cl)CN TS44724 [1,1,0,0,0,0|2,0,0]=4 1266 B9R1.2 c1cnc(cc1Cl)CO TS08035 [1,1,0,0,0,0|2,0,0]=4 1267 B9R1.34 CC1C=C(CC(=C1)C)C TS32529 [1,1,0,0,0,0|0,0,2]=4 1268 B9R1.34 Cc1cc(=O)cc(o1)C TS08800 [1,1,0,0,0,0|1,0,0]=3 1269 B9R1.34 Cc1cc([nH]c(=O)c1)O TS91354 [1,1,0,0,0,0|2,0,0]=4 1270 B9R1.34 Cc1cc([o+]c(c1)C)C TS43713 [1,1,0,0,0,0|1,0,0]=3 1271 B9R1.34 Cc1cc(cc(=O)[nH]1)O TS05069 [1,1,0,0,0,0|2,0,0]=4 1272 B9R1.34 Cc1cc(cc(=O)o1)O TS71159 [1,1,0,0,0,0|2,0,0]=4 1273 B9R1.34 Cc1cc(cc(c1)Br)Br TS02581 [1,1,0,0,0,0|1,0,0]=3 1274 B9R1.34 Cc1cc(cc(c1)Br)C TS39522 [1,1,0,0,0,0|0,0,0]=2 1275 B9R1.34 Cc1cc(cc(c1)Br)F TS60338 [1,1,0,0,0,0|1,0,0]=3 1276 B9R1.34 Cc1cc(cc(c1)Br)O TS60008 [1,1,0,0,0,0|1,0,0]=3 1277 B9R1.34 Cc1cc(cc(c1)C)C TS04831 [1,1,0,0,0,0|0,0,0]=2 1278 B9R1.34 Cc1cc(cc(c1)Cl)C TS37452 [1,1,0,0,0,0|0,0,0]=2 1279 B9R1.34 Cc1cc(cc(c1)Cl)Cl TS02195 [1,1,0,0,0,0|1,0,0]=3 1280 B9R1.34 Cc1cc(cc(c1)Cl)F TS40000 [1,1,0,0,0,0|1,0,0]=3 1281 B9R1.34 Cc1cc(cc(c1)Cl)O TS65999 [1,1,0,0,0,0|1,0,0]=3 1282 B9R1.34 Cc1cc(cc(c1)F)C TS65460 [1,1,0,0,0,0|0,0,0]=2 1283 B9R1.34 Cc1cc(cc(c1)F)F TS02199 [1,1,0,0,0,0|1,0,0]=3 1284 B9R1.34 Cc1cc(cc(c1)F)N TS36054 [1,1,0,0,0,0|1,0,0]=3 1285 B9R1.34 Cc1cc(cc(c1)I)C TS32973 [1,1,0,0,0,0|0,0,0]=2 1286 B9R1.34 Cc1cc(cc(c1)I)F TS09380 [1,1,0,0,0,0|1,0,0]=3 1287 B9R1.34 Cc1cc(cc(c1)I)I TS78662 [1,1,0,0,0,0|1,0,0]=3 1288 B9R1.34 Cc1cc(cc(c1)N)C TS00132 [1,1,0,0,0,0|0,0,0]=2 1289 B9R1.34 Cc1cc(cc(c1)O)C TS00131 [1,1,0,0,0,0|0,0,0]=2 1290 B9R1.34 Cc1cc(cc(c1)O)N TS65077 [1,1,0,0,0,0|1,0,0]=3 1291 B9R1.34 Cc1cc(cc(c1)O)O TS93840 [1,1,0,0,0,0|1,0,0]=3 1292 B9R1.34 Cc1cc(cc(c1)O)O TS93948 [1,1,0,0,0,0|1,0,0]=3 1293 B9R1.34 Cc1cc(cc(c1)P)C TS37177 [1,1,0,0,0,0|0,0,0]=2 1294 B9R1.34 Cc1cc(cc(c1)S)C TS06301 [1,1,0,0,0,0|0,0,0]=2 1295 B9R1.34 Cc1cc(cc(n1)C)Br TS16926 [1,1,0,0,0,0|1,0,0]=3 1296 B9R1.34 Cc1cc(cc(n1)C)Cl TS03036 [1,1,0,0,0,0|1,0,0]=3 1297 B9R1.34 Cc1cc(cc(n1)C)I TS53417 [1,1,0,0,0,0|1,0,0]=3 1298 B9R1.34 Cc1cc(cc(n1)C)O TS47320 [1,1,0,0,0,0|1,0,0]=3 1299 B9R1.34 Cc1cc(cc(n1)Cl)Cl TS11471 [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.34 Cc1cc(cc(n1)F)I TS39275 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.34 Cc1cc(cc(n1)O)O TS36049 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.34 Cc1cc(cn(=O)c1)C TS04962 [1,1,0,0,0,0|1,0,0]=3 1303 B9R1.34 Cc1cc(cn(=O)c1)F TS36213 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.34 Cc1cc(nc(=S)[nH]1)C TS37402 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.34 Cc1cc(nc(c1)Br)C TS55094 [1,1,0,0,0,0|1,0,0]=3 1306 B9R1.34 Cc1cc(nc(c1)Br)Cl TS55139 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.34 Cc1cc(nc(c1)Br)F TS16273 [1,1,0,0,0,0|2,0,0]=4 1308 B9R1.34 Cc1cc(nc(c1)C)C TS32481 [1,1,0,0,0,0|1,0,0]=3 1309 B9R1.34 Cc1cc(nc(c1)C)C TS37495 [1,1,0,0,0,0|1,0,0]=3 1310 B9R1.34 Cc1cc(nc(c1)Cl)C TS07712 [1,1,0,0,0,0|1,0,0]=3 1311 B9R1.34 Cc1cc(nc(c1)Cl)Cl TS11469 [1,1,0,0,0,0|2,0,0]=4 1312 B9R1.34 Cc1cc(nc(c1)Cl)N TS85120 [1,1,0,0,0,0|2,0,0]=4 1313 B9R1.34 Cc1cc(nc(c1)N)C TS47386 [1,1,0,0,0,0|1,0,0]=3 1314 B9R1.34 Cc1cc(nc(c1)N)N TS85154 [1,1,0,0,0,0|2,0,0]=4 1315 B9R1.34 Cc1cc(nc(n1)C)Br TS49017 [1,1,0,0,0,0|2,0,0]=4 1316 B9R1.34 Cc1cc(nc(n1)C)Cl TS03037 [1,1,0,0,0,0|2,0,0]=4 1317 B9R1.34 Cc1cc(nc(n1)C)O TS32610 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.34 Cc1cc(nc(n1)Cl)C TS00879 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.34 Cc1cc(nc(n1)N)C TS47387 [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.34 Cc1cc(nc(n1)S)C TS37398 [1,1,0,0,0,0|2,0,0]=4 1321 B9R1.34 Cc1cc(oc(=O)c1)C TS32596 [1,1,0,0,0,0|1,0,0]=3 1322 B9R1.34 c1c(cc(cc1Br)Br)Br TS00356 [1,1,0,0,0,0|2,0,0]=4 1323 B9R1.34 c1c(cc(cc1Br)Br)Cl TS02577 [1,1,0,0,0,0|2,0,0]=4 1324 B9R1.34 c1c(cc(cc1Br)Br)F TS00387 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.34 c1c(cc(cc1Br)Br)O TS02578 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.34 c1c(cc(cc1Br)I)Br TS66452 [1,1,0,0,0,0|2,0,0]=4 1327 B9R1.34 c1c(cc(cc1Br)I)Cl TS46924 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.34 c1c(cc(cc1Br)I)F TS09379 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.34 c1c(cc(cc1Cl)Br)Cl TS00025 [1,1,0,0,0,0|2,0,0]=4 1330 B9R1.34 c1c(cc(cc1Cl)Br)F TS09356 [1,1,0,0,0,0|2,0,0]=4 1331 B9R1.34 c1c(cc(cc1Cl)Br)N TS65924 [1,1,0,0,0,0|2,0,0]=4 1332 B9R1.34 c1c(cc(cc1Cl)Br)O TS09334 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.34 c1c(cc(cc1Cl)Cl)Cl TS07878 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.34 c1c(cc(cc1Cl)Cl)F TS02357 [1,1,0,0,0,0|2,0,0]=4 1335 B9R1.34 c1c(cc(cc1Cl)Cl)N TS00129 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.34 c1c(cc(cc1Cl)Cl)O TS65789 [1,1,0,0,0,0|2,0,0]=4 1337 B9R1.34 c1c(cc(cc1Cl)Cl)S TS14338 [1,1,0,0,0,0|2,0,0]=4 1338 B9R1.34 c1c(cc(cc1Cl)I)Cl TS33452 [1,1,0,0,0,0|2,0,0]=4 1339 B9R1.34 c1c(cc(cc1Cl)[Zn+])Cl TS64120 [1,1,0,0,0,0|2,0,0]=4 1340 B9R1.34 c1c(cc(cc1F)Br)F TS46922 [1,1,0,0,0,0|2,0,0]=4 1341 B9R1.34 c1c(cc(cc1F)Br)N TS51007 [1,1,0,0,0,0|2,0,0]=4 1342 B9R1.34 c1c(cc(cc1F)Br)O TS09338 [1,1,0,0,0,0|2,0,0]=4 1343 B9R1.34 c1c(cc(cc1F)Cl)F TS09201 [1,1,0,0,0,0|2,0,0]=4 1344 B9R1.34 c1c(cc(cc1F)Cl)N TS09351 [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.34 c1c(cc(cc1F)Cl)O TS07276 [1,1,0,0,0,0|2,0,0]=4 1346 B9R1.34 c1c(cc(cc1F)F)F TS05698 [1,1,0,0,0,0|2,0,0]=4 1347 B9R1.34 c1c(cc(cc1F)F)N TS00130 [1,1,0,0,0,0|2,0,0]=4 1348 B9R1.34 c1c(cc(cc1F)F)O TS02587 [1,1,0,0,0,0|2,0,0]=4 1349 B9R1.34 c1c(cc(cc1F)I)F TS02205 [1,1,0,0,0,0|2,0,0]=4 1350 B9R1.34 c1c(cc(cc1F)I)N TS09378 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.34 c1c(cc(cc1F)S)F TS40405 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.34 c1c(cc(cc1I)I)Br TS81372 [1,1,0,0,0,0|2,0,0]=4 1353 B9R1.34 c1c(cc(cc1I)I)F TS64594 [1,1,0,0,0,0|2,0,0]=4 1354 B9R1.34 c1c(cc(cc1I)I)I TS82498 [1,1,0,0,0,0|2,0,0]=4 1355 B9R1.34 c1c(cc(cc1N)Br)N TS94284 [1,1,0,0,0,0|2,0,0]=4 1356 B9R1.34 c1c(cc(cc1N)Cl)N TS06800 [1,1,0,0,0,0|2,0,0]=4 1357 B9R1.34 c1c(cc(cc1N)N)N TS32579 [1,1,0,0,0,0|2,0,0]=4 1358 B9R1.34 c1c(cc(cc1O)O)N TS39338 [1,1,0,0,0,0|2,0,0]=4 1359 B9R1.34 c1c(cc(cc1O)O)O TS93943 [1,1,0,0,0,0|2,0,0]=4 1360 B9R1.34 c1c(cc(cc1O)O)O TS94513 [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,1,0,0,0,0|2,0,0]=4 1363 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,1,0,0,0,0|1,0,0]=3 1364 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,1,0,0,0,0|2,0,0]=4 1365 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,1,0,0,0,0|2,0,0]=4 1366 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,1,0,0,0,0|2,0,0]=4 1367 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,1,0,0,0,0|2,0,0]=4 1369 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,1,0,0,0,0|2,0,0]=4 1370 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,1,0,0,0,0|2,0,0]=4 1371 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,1,0,0,0,0|2,0,0]=4 1372 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,1,0,0,0,0|2,0,0]=4 1373 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,1,0,0,0,0|2,0,0]=4 1375 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,1,0,0,0,0|2,0,0]=4 1376 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,1,0,0,0,0|2,0,0]=4 1377 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,1,0,0,0,0|2,0,0]=4 1378 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,1,0,0,0,0|2,0,0]=4 1379 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,1,0,0,0,0|2,0,0]=4 1380 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,1,0,0,0,0|2,0,0]=4 1381 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,1,0,0,0,0|2,0,0]=4 1382 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [1,1,0,0,0,0|2,0,0]=4 1383 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [1,1,0,0,0,0|2,0,0]=4 1384 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [1,1,0,0,0,0|2,0,0]=4 1385 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [1,1,0,0,0,0|2,0,0]=4 1386 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [1,1,0,0,0,0|2,0,0]=4 1387 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [1,1,0,0,0,0|2,0,0]=4 1388 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [1,1,0,0,0,0|2,0,0]=4 1389 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [1,1,0,0,0,0|2,0,0]=4 1390 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [1,1,0,0,0,0|2,0,0]=4 1391 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [1,1,0,0,0,0|2,0,0]=4 1392 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [1,1,0,0,0,0|2,0,0]=4 1393 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [1,1,0,0,0,0|2,0,0]=4 1394 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,1,0,0,0,0|2,0,0]=4 1395 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,1,0,0,0,0|1,0,0]=3 1396 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [1,1,0,0,0,0|2,0,0]=4 1397 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [1,1,0,0,0,0|2,0,0]=4 1398 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [1,1,0,0,0,0|2,0,0]=4 1399 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [1,1,0,0,0,0|2,0,0]=4 1400 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [1,1,0,0,0,0|2,0,0]=4 1401 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [1,1,0,0,0,0|2,0,0]=4 1402 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [1,1,0,0,0,0|2,0,0]=4 1403 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [1,1,0,0,0,0|2,0,0]=4 1404 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,1,0,0,0,0|2,0,0]=4 1405 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,1,0,0,0,0|2,0,0]=4 1406 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,1,0,0,0,0|1,0,0]=3 1407 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,1,0,0,0,0|1,0,0]=3 1408 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,1,0,0,0,0|1,0,0]=3 1409 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,1,0,0,0,0|1,0,0]=3 1410 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,1,0,0,0,0|1,0,0]=3 1411 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,1,0,0,0,0|1,0,0]=3 1412 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,1,0,0,0,0|1,0,0]=3 1413 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,1,0,0,0,0|1,0,0]=3 1414 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,1,0,0,0,0|1,0,0]=3 1415 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,1,0,0,0,0|1,0,0]=3 1416 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,1,0,0,0,0|1,0,0]=3 1417 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,1,0,0,0,0|1,0,0]=3 1418 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,1,0,0,0,0|1,0,0]=3 1419 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,1,0,0,0,0|1,0,0]=3 1420 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,1,0,0,0,0|1,0,0]=3 1421 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,1,0,0,0,0|1,0,0]=3 1422 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,1,0,0,0,0|1,0,0]=3 1423 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,1,0,0,0,0|1,0,0]=3 1424 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,1,0,0,0,0|1,0,0]=3 1425 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,1,0,0,0,0|1,0,0]=3 1426 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,1,0,0,0,0|1,0,0]=3 1427 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,1,0,0,0,0|1,0,0]=3 1428 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,1,0,0,0,0|1,0,0]=3 1429 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,1,0,0,0,0|1,0,0]=3 1430 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,1,0,0,0,0|1,0,0]=3 1431 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,1,0,0,0,0|1,0,0]=3 1432 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,1,0,0,0,0|1,0,0]=3 1433 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,1,0,0,0,0|1,0,0]=3 1434 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,1,0,0,0,0|1,0,0]=3 1435 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,1,0,0,0,0|1,0,0]=3 1436 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,1,0,0,0,0|1,0,0]=3 1437 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,1,0,0,0,0|1,0,0]=3 1438 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,1,0,0,0,0|1,0,0]=3 1439 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,1,0,0,0,0|1,0,0]=3 1440 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,1,0,0,0,0|1,0,0]=3 1441 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,1,0,0,0,0|1,0,0]=3 1442 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,1,0,0,0,0|1,0,0]=3 1443 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,1,0,0,0,0|1,0,0]=3 1444 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,1,0,0,0,0|1,0,0]=3 1445 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,1,0,0,0,0|2,0,0]=4 1446 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,1,0,0,0,0|2,0,0]=4 1447 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,1,0,0,0,0|2,0,0]=4 1448 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,1,0,0,0,0|2,0,0]=4 1449 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,1,0,0,0,0|2,0,0]=4 1450 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,1,0,0,0,0|2,0,0]=4 1451 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,1,0,0,0,0|2,0,0]=4 1452 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,1,0,0,0,0|2,0,0]=4 1453 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,1,0,0,0,0|2,0,0]=4 1454 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,1,0,0,0,0|2,0,0]=4 1455 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,1,0,0,0,0|2,0,0]=4 1456 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,1,0,0,0,0|2,0,0]=4 1457 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,1,0,0,0,0|2,0,0]=4 1458 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,1,0,0,0,0|2,0,0]=4 1459 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,1,0,0,0,0|2,0,0]=4 1460 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,1,0,0,0,0|2,0,0]=4 1461 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,1,0,0,0,0|2,0,0]=4 1462 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,1,0,0,0,0|2,0,0]=4 1463 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,1,0,0,0,0|2,0,0]=4 1464 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,1,0,0,0,0|2,0,0]=4 1465 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,1,0,0,0,0|2,0,0]=4 1466 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,1,0,0,0,0|2,0,0]=4 1467 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,1,0,0,0,0|2,0,0]=4 1468 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,1,0,0,0,0|2,0,0]=4 1469 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [1,1,0,0,0,0|2,0,0]=4 1470 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [1,1,0,0,0,0|2,0,0]=4 1471 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [1,1,0,0,0,0|2,0,0]=4 1472 B9R1.69 Cc1cc(ncc1Br)F TS85252 [1,1,0,0,0,0|2,0,0]=4 1473 B9R1.69 Cc1cc(ncc1Br)N TS47423 [1,1,0,0,0,0|2,0,0]=4 1474 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,1,0,0,0,0|2,0,0]=4 1475 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [1,1,0,0,0,0|2,0,0]=4 1476 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [1,1,0,0,0,0|2,0,0]=4 1477 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [1,1,0,0,0,0|2,0,0]=4 1478 B9R1.69 Cc1cc(ncc1F)Br TS16269 [1,1,0,0,0,0|2,0,0]=4 1479 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [1,1,0,0,0,0|2,0,0]=4 1480 B9R1.69 Cc1cc(ncc1F)N TS00784 [1,1,0,0,0,0|2,0,0]=4 1481 B9R1.69 Cc1cc(ncc1I)F TS25994 [1,1,0,0,0,0|2,0,0]=4 1482 B9R1.69 Cc1cc(ncc1I)N TS53553 [1,1,0,0,0,0|2,0,0]=4 1483 B9R1.69 Cc1cc(ncc1N)Br TS71350 [1,1,0,0,0,0|2,0,0]=4 1484 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [1,1,0,0,0,0|2,0,0]=4 1485 B9R1.69 Cc1cc(ncc1N)N TS32570 [1,1,0,0,0,0|2,0,0]=4 1486 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [1,1,0,0,0,0|2,0,0]=4 1487 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [1,1,0,0,0,0|1,0,0]=3 1488 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,1,0,0,0,0|1,0,0]=3 1489 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,1,0,0,0,0|1,0,0]=3 1490 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,1,0,0,0,0|1,0,0]=3 1491 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,1,0,0,0,0|1,0,0]=3 1492 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,1,0,0,0,0|1,0,0]=3 1493 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,1,0,0,0,0|1,0,0]=3 1494 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,1,0,0,0,0|1,0,0]=3 1495 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,1,0,0,0,0|1,0,0]=3 1496 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,1,0,0,0,0|0,0,0]=2 1497 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,1,0,0,0,0|0,0,0]=2 1498 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,1,0,0,0,0|0,0,0]=2 1499 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,1,0,0,0,0|0,0,0]=2 1500 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,1,0,0,0,0|0,0,0]=2 1501 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,1,0,0,0,0|0,0,0]=2 1502 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,1,0,0,0,0|0,0,0]=2 1503 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,1,0,0,0,0|0,0,0]=2 1504 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,1,0,0,0,0|0,0,0]=2 1505 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,1,0,0,0,0|0,0,0]=2 1506 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,1,0,0,0,0|1,0,0]=3 1507 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,1,0,0,0,0|1,0,0]=3 1508 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,1,0,0,0,0|1,0,0]=3 1509 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,1,0,0,0,0|1,0,0]=3 1510 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,1,0,0,0,0|1,0,0]=3 1511 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,1,0,0,0,0|1,0,0]=3 1512 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,1,0,0,0,0|1,0,0]=3 1513 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,1,0,0,0,0|1,0,0]=3 1514 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,1,0,0,0,0|1,0,0]=3 1515 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,1,0,0,0,0|1,0,0]=3 1516 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,1,0,0,0,0|1,0,0]=3 1517 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,1,0,0,0,0|1,0,0]=3 1518 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,1,0,0,0,0|1,0,0]=3 1519 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,1,0,0,0,0|1,0,0]=3 1520 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,1,0,0,0,0|1,0,0]=3 1521 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,1,0,0,0,0|1,0,0]=3 1522 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,1,0,0,0,0|1,0,0]=3 1523 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,1,0,0,0,0|1,0,0]=3 1524 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,1,0,0,0,0|1,0,0]=3 1525 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,1,0,0,0,0|1,0,0]=3 1526 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,1,0,0,0,0|1,0,0]=3 1527 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,1,0,0,0,0|1,0,0]=3 1528 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,1,0,0,0,0|1,0,0]=3 1529 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,1,0,0,0,0|1,0,0]=3 1530 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,1,0,0,0,0|1,0,0]=3 1531 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,1,0,0,0,0|1,0,0]=3 1532 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,1,0,0,0,0|1,0,0]=3 1533 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,1,0,0,0,0|1,0,0]=3 1534 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,1,0,0,0,0|1,0,0]=3 1535 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,1,0,0,0,0|1,0,0]=3 1536 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,1,0,0,0,0|1,0,0]=3 1537 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,1,0,0,0,0|1,0,0]=3 1538 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,1,0,0,0,0|1,0,0]=3 1539 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,1,0,0,0,0|1,0,0]=3 1540 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,1,0,0,0,0|1,0,0]=3 1541 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [1,1,0,0,0,0|2,0,0]=4 1542 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [1,1,0,0,0,0|2,0,0]=4 1543 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [1,1,0,0,0,0|2,0,0]=4 1544 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,1,0,0,0,0|2,0,0]=4 1545 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,1,0,0,0,0|1,0,0]=3 1546 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,1,0,0,0,0|1,0,0]=3 1547 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,1,0,0,0,0|1,0,0]=3 1548 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [1,1,0,0,0,0|2,0,0]=4 1549 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [1,1,0,0,0,0|2,0,0]=4 1550 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [1,1,0,0,0,0|2,0,0]=4 1551 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [1,1,0,0,0,0|2,0,0]=4 1552 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,1,0,0,0,0|2,0,0]=4 1553 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [1,1,0,0,0,0|2,0,0]=4 1554 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [1,1,0,0,0,0|2,0,0]=4 1555 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [1,1,0,0,0,0|2,0,0]=4 1556 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,1,0,0,0,0|2,0,0]=4 1557 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,1,0,0,0,0|2,0,0]=4 1558 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [1,1,0,0,0,0|2,0,0]=4 1559 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [1,1,0,0,0,0|2,0,0]=4 1560 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [1,1,0,0,0,0|2,0,0]=4 1561 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,1,0,0,0,0|2,0,0]=4 1562 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [1,1,0,0,0,0|2,0,0]=4 1563 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,1,0,0,0,0|2,0,0]=4 1564 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,1,0,0,0,0|2,0,0]=4 1565 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,1,0,0,0,0|2,0,0]=4 1566 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,1,0,0,0,0|2,0,0]=4 1567 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,1,0,0,0,0|1,0,0]=3 1568 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,1,0,0,0,0|1,0,0]=3 1569 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,1,0,0,0,0|1,0,0]=3 1570 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,1,0,0,0,0|1,0,0]=3 1571 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,1,0,0,0,0|1,0,0]=3 1572 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,1,0,0,0,0|1,0,0]=3 1573 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,1,0,0,0,0|1,0,0]=3 1574 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,1,0,0,0,0|2,0,0]=4 1575 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,1,0,0,0,0|2,0,0]=4 1576 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,1,0,0,0,0|2,0,0]=4 1577 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,1,0,0,0,0|2,0,0]=4 1578 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,1,0,0,0,0|2,0,0]=4 1579 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,1,0,0,0,0|2,0,0]=4 1580 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,1,0,0,0,0|2,0,0]=4 1581 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,1,0,0,0,0|2,0,0]=4 1582 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,1,0,0,0,0|2,0,0]=4 1583 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,1,0,0,0,0|2,0,0]=4 1584 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,1,0,0,0,0|2,0,0]=4 1585 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,1,0,0,0,0|2,0,0]=4 1586 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,1,0,0,0,0|2,0,0]=4 1587 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,1,0,0,0,0|2,0,0]=4 1588 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,1,0,0,0,0|2,0,0]=4 1589 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,1,0,0,0,0|2,0,0]=4 1590 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,1,0,0,0,0|2,0,0]=4 1591 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,1,0,0,0,0|2,0,0]=4 1592 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,1,0,0,0,0|2,0,0]=4 1593 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,1,0,0,0,0|2,0,0]=4 1594 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,1,0,0,0,0|2,0,0]=4 1595 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,1,0,0,0,0|2,0,0]=4 1596 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,1,0,0,0,0|2,0,0]=4 1597 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,1,0,0,0,0|2,0,0]=4 1598 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,1,0,0,0,0|2,0,0]=4 1599 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,1,0,0,0,0|2,0,0]=4 1600 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,1,0,0,0,0|2,0,0]=4 1601 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,1,0,0,0,0|2,0,0]=4 1602 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,1,0,0,0,0|2,0,0]=4 1603 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,1,0,0,0,0|1,0,0]=3 1604 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,1,0,0,0,0|1,0,0]=3 1605 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,1,0,0,0,0|2,0,0]=4 1606 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,1,0,0,0,0|2,0,0]=4 1607 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,1,0,0,0,0|2,0,0]=4 1608 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [1,1,0,0,0,0|2,0,0]=4 1609 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [1,1,0,0,0,0|2,0,0]=4 1610 B9R1.69 Cn1cc(ccc1=O)F TS03324 [1,1,0,0,0,0|2,0,0]=4 1611 B9R1.69 Cn1cc(ccc1=O)N TS87923 [1,1,0,0,0,0|2,0,0]=4 1612 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,1,0,0,0,0|2,0,0]=4 1613 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,1,0,0,0,0|2,0,0]=4 1614 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,1,0,0,0,0|2,0,0]=4 1615 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,1,0,0,0,0|2,0,0]=4 1616 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,1,0,0,0,0|2,0,0]=4 1617 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,1,0,0,0,0|2,0,0]=4 1618 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,1,0,0,0,0|2,0,0]=4 1619 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,1,0,0,0,0|2,0,0]=4 1620 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,1,0,0,0,0|2,0,0]=4 1621 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,1,0,0,0,0|2,0,0]=4 1622 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,1,0,0,0,0|2,0,0]=4 1623 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,1,0,0,0,0|2,0,0]=4 1624 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,1,0,0,0,0|2,0,0]=4 1625 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,1,0,0,0,0|2,0,0]=4 1626 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,1,0,0,0,0|2,0,0]=4 1627 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,1,0,0,0,0|2,0,0]=4 1628 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,1,0,0,0,0|2,0,0]=4 1629 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,1,0,0,0,0|2,0,0]=4 1630 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,1,0,0,0,0|2,0,0]=4 1631 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,1,0,0,0,0|2,0,0]=4 1632 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,1,0,0,0,0|2,0,0]=4 1633 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,1,0,0,0,0|2,0,0]=4 1634 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,1,0,0,0,0|2,0,0]=4 1635 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,1,0,0,0,0|2,0,0]=4 1636 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,1,0,0,0,0|2,0,0]=4 1637 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,1,0,0,0,0|2,0,0]=4 1638 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,1,0,0,0,0|2,0,0]=4 1639 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,1,0,0,0,0|2,0,0]=4 1640 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,1,0,0,0,0|2,0,0]=4 1641 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,1,0,0,0,0|2,0,0]=4 1642 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,1,0,0,0,0|2,0,0]=4 1643 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,1,0,0,0,0|2,0,0]=4 1644 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,1,0,0,0,0|2,0,0]=4 1645 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,1,0,0,0,0|2,0,0]=4 1646 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,1,0,0,0,0|2,0,0]=4 1647 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,1,0,0,0,0|2,0,0]=4 1648 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,1,0,0,0,0|2,0,0]=4 1649 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,1,0,0,0,0|2,0,0]=4 1650 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,1,0,0,0,0|2,0,0]=4 1651 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,1,0,0,0,0|2,0,0]=4 1652 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,1,0,0,0,0|2,0,0]=4 1653 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,1,0,0,0,0|2,0,0]=4 1654 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,1,0,0,0,0|2,0,0]=4 1655 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,1,0,0,0,0|2,0,0]=4 1656 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,1,0,0,0,0|2,0,0]=4 1657 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,1,0,0,0,0|2,0,0]=4 1658 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,1,0,0,0,0|2,0,0]=4 1659 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,1,0,0,0,0|2,0,0]=4 1660 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,1,0,0,0,0|2,0,0]=4 1661 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,1,0,0,0,0|2,0,0]=4 1662 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,1,0,0,0,0|2,0,0]=4 1663 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,1,0,0,0,0|2,0,0]=4 1664 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,1,0,0,0,0|2,0,0]=4 1665 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,1,0,0,0,0|2,0,0]=4 1666 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,1,0,0,0,0|2,0,0]=4 1667 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,1,0,0,0,0|2,0,0]=4 1668 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,1,0,0,0,0|2,0,0]=4 1669 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,1,0,0,0,0|2,0,0]=4 1670 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,1,0,0,0,0|2,0,0]=4 1671 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,1,0,0,0,0|2,0,0]=4 1672 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,1,0,0,0,0|2,0,0]=4 1673 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,1,0,0,0,0|2,0,0]=4 1674 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,1,0,0,0,0|2,0,0]=4 1675 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,1,0,0,0,0|2,0,0]=4 1676 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,1,0,0,0,0|2,0,0]=4 1677 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,1,0,0,0,0|2,0,0]=4 1678 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,1,0,0,0,0|2,0,0]=4 1679 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,1,0,0,0,0|2,0,0]=4 1680 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,1,0,0,0,0|2,0,0]=4 1681 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,1,0,0,0,0|2,0,0]=4 1682 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,1,0,0,0,0|2,0,0]=4 1683 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,1,0,0,0,0|2,0,0]=4 1684 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,1,0,0,0,0|2,0,0]=4 1685 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,1,0,0,0,0|2,0,0]=4 1686 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,1,0,0,0,0|2,0,0]=4 1687 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,1,0,0,0,0|2,0,0]=4 1688 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,1,0,0,0,0|2,0,0]=4 1689 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,1,0,0,0,0|2,0,0]=4 1690 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,1,0,0,0,0|2,0,0]=4 1691 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,1,0,0,0,0|2,0,0]=4 1692 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,1,0,0,0,0|2,0,0]=4 1693 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,1,0,0,0,0|2,0,0]=4 1694 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,1,0,0,0,0|2,0,0]=4 1695 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,1,0,0,0,0|2,0,0]=4 1696 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,1,0,0,0,0|2,0,0]=4 1697 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,1,0,0,0,0|2,0,0]=4 1698 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,1,0,0,0,0|2,0,0]=4 1699 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,1,0,0,0,0|2,0,0]=4 1700 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,1,0,0,0,0|2,0,0]=4 1701 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,1,0,0,0,0|2,0,0]=4 1702 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,1,0,0,0,0|2,0,0]=4 1703 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,1,0,0,0,0|2,0,0]=4 1704 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,1,0,0,0,0|2,0,0]=4 1705 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,1,0,0,0,0|2,0,0]=4 1706 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,1,0,0,0,0|2,0,0]=4 1707 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,1,0,0,0,0|2,0,0]=4 1708 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,1,0,0,0,0|2,0,0]=4 1709 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,1,0,0,0,0|2,0,0]=4 1710 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,1,0,0,0,0|2,0,0]=4 1711 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,1,0,0,0,0|2,0,0]=4 1712 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,1,0,0,0,0|2,0,0]=4 1713 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,1,0,0,0,0|2,0,0]=4 1714 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,1,0,0,0,0|2,0,0]=4 1715 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,1,0,0,0,0|2,0,0]=4 1716 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,1,0,0,0,0|2,0,0]=4 1717 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,1,0,0,0,0|2,0,0]=4 1718 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,1,0,0,0,0|2,0,0]=4 1719 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,1,0,0,0,0|2,0,0]=4 1720 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,1,0,0,0,0|2,0,0]=4 1721 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,1,0,0,0,0|2,0,0]=4 1722 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,1,0,0,0,0|2,0,0]=4 1723 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,1,0,0,0,0|2,0,0]=4 1724 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,1,0,0,0,0|2,0,0]=4 1725 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,1,0,0,0,0|2,0,0]=4 1726 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,1,0,0,0,0|2,0,0]=4 1727 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,1,0,0,0,0|2,0,0]=4 1728 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,1,0,0,0,0|2,0,0]=4 1729 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,1,0,0,0,0|2,0,0]=4 1730 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,1,0,0,0,0|2,0,0]=4 1731 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,1,0,0,0,0|2,0,0]=4 1732 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,1,0,0,0,0|2,0,0]=4 1733 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,1,0,0,0,0|2,0,0]=4 1734 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,1,0,0,0,0|2,0,0]=4 1735 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,1,0,0,0,0|2,0,0]=4 1736 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,1,0,0,0,0|2,0,0]=4 1737 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,1,0,0,0,0|2,0,0]=4 1738 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,1,0,0,0,0|2,0,0]=4 1739 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,1,0,0,0,0|2,0,0]=4 1740 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,1,0,0,0,0|2,0,0]=4 1741 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,1,0,0,0,0|2,0,0]=4 1742 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,1,0,0,0,0|2,0,0]=4 1743 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,1,0,0,0,0|2,0,0]=4 1744 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,1,0,0,0,0|2,0,0]=4 1745 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,1,0,0,0,0|2,0,0]=4 1746 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,1,0,0,0,0|2,0,0]=4 1747 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,1,0,0,0,0|2,0,0]=4 1748 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,1,0,0,0,0|2,0,0]=4 1749 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,1,0,0,0,0|2,0,0]=4 1750 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,1,0,0,0,0|2,0,0]=4 1751 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,1,0,0,0,0|2,0,0]=4 1752 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,1,0,0,0,0|2,0,0]=4 1753 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,1,0,0,0,0|2,0,0]=4 1754 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,1,0,0,0,0|2,0,0]=4 1755 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,1,0,0,0,0|2,0,0]=4 1756 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,1,0,0,0,0|2,0,0]=4 1757 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,1,0,0,0,0|2,0,0]=4 1758 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,1,0,0,0,0|2,0,0]=4 1759 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,1,0,0,0,0|2,0,0]=4 1760 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,1,0,0,0,0|2,0,0]=4 1761 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,1,0,0,0,0|2,0,0]=4 1762 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,1,0,0,0,0|2,0,0]=4 1763 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,1,0,0,0,0|2,0,0]=4 1764 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,1,0,0,0,0|2,0,0]=4 1765 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,1,0,0,0,0|2,0,0]=4 1766 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,1,0,0,0,0|2,0,0]=4 1767 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,1,0,0,0,0|2,0,0]=4 1768 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,1,0,0,0,0|2,0,0]=4 1769 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,1,0,0,0,0|2,0,0]=4 1770 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,1,0,0,0,0|2,0,0]=4 1771 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,1,0,0,0,0|2,0,0]=4 1772 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,1,0,0,0,0|2,0,0]=4 1773 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,1,0,0,0,0|2,0,0]=4 1774 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,1,0,0,0,0|2,0,0]=4 1775 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,1,0,0,0,0|2,0,0]=4 1776 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,1,0,0,0,0|2,0,0]=4 1777 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,1,0,0,0,0|2,0,0]=4 1778 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,1,0,0,0,0|2,0,0]=4 1779 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,1,0,0,0,0|2,0,0]=4 1780 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,1,0,0,0,0|2,0,0]=4 1781 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,1,0,0,0,0|2,0,0]=4 1782 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,1,0,0,0,0|2,0,0]=4 1783 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,1,0,0,0,0|2,0,0]=4 1784 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,1,0,0,0,0|2,0,0]=4 1785 B9R1.15 C#Cc1ccccc1Br TS48023 [1,1,0,0,0,0|1,0,1]=4 1786 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,1,0,0,0,0|1,0,1]=4 1787 B9R1.15 C#Cc1ccccc1F TS77181 [1,1,0,0,0,0|1,0,1]=4 1788 B9R1.15 C#Cc1ccccc1O TS55318 [1,1,0,0,0,0|0,0,1]=3 1789 B9R1.15 C=Cc1ccccc1Br TS55173 [1,1,0,0,0,0|1,0,1]=4 1790 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,1,0,0,0,0|1,0,1]=4 1791 B9R1.15 C=Cc1ccccc1F TS32504 [1,1,0,0,0,0|1,0,1]=4 1792 B9R1.15 C=Cc1ccccc1I TS24807 [1,1,0,0,0,0|1,0,1]=4 1793 B9R1.15 CC[n+]1ccccc1Br TS33546 [1,1,0,0,0,0|2,0,0]=4 1794 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [1,1,0,0,0,0|1,0,1]=4 1795 B9R1.15 CCc1ccccc1Br TS15420 [1,1,0,0,0,0|1,0,0]=3 1796 B9R1.15 CCc1ccccc1C TS16337 [1,1,0,0,0,0|1,0,0]=3 1797 B9R1.15 CCc1ccccc1Cl TS37450 [1,1,0,0,0,0|1,0,0]=3 1798 B9R1.15 CCc1ccccc1I TS25157 [1,1,0,0,0,0|1,0,0]=3 1799 B9R1.15 CCc1ccccc1N TS32474 [1,1,0,0,0,0|1,0,0]=3 1800 B9R1.15 CCc1ccccc1O TS04900 [1,1,0,0,0,0|0,0,0]=2 1801 B9R1.15 CCc1ccccc1S TS06304 [1,1,0,0,0,0|0,1,0]=3 1802 B9R1.15 CCc1cccnc1C TS32475 [1,1,0,0,0,0|2,0,0]=4 1803 B9R1.15 CCc1ccncc1C TS32464 [1,1,0,0,0,0|2,0,0]=4 1804 B9R1.15 CCc1cnccc1Br TS92322 [1,1,0,0,0,0|2,0,0]=4 1805 B9R1.15 CCc1cnccc1C TS32480 [1,1,0,0,0,0|2,0,0]=4 1806 B9R1.15 CCc1cncnc1O TS05018 [1,1,0,0,0,0|2,0,0]=4 1807 B9R1.15 CNc1c(cccn1)Br TS49024 [1,1,0,0,0,0|2,0,0]=4 1808 B9R1.15 CNc1c(cccn1)Cl TS44725 [1,1,0,0,0,0|2,0,0]=4 1809 B9R1.15 CNc1ccccc1Cl TS37531 [1,1,0,0,0,0|1,0,0]=3 1810 B9R1.15 CNc1ccccc1F TS56413 [1,1,0,0,0,0|1,0,0]=3 1811 B9R1.15 CNc1ccccc1N TS01587 [1,1,0,0,0,0|1,0,0]=3 1812 B9R1.15 CNc1ccccc1N TS41998 [1,1,0,0,0,0|1,0,0]=3 1813 B9R1.15 CNc1ccccc1N TS60152 [1,1,0,0,0,0|1,0,0]=3 1814 B9R1.15 CNc1ccccc1O TS04968 [1,1,0,0,0,0|0,0,0]=2 1815 B9R1.15 CNc1cccnc1Br TS49018 [1,1,0,0,0,0|2,0,0]=4 1816 B9R1.15 CNc1cccnc1Cl TS06799 [1,1,0,0,0,0|2,0,0]=4 1817 B9R1.15 CNc1cccnc1Cl TS46508 [1,1,0,0,0,0|2,0,0]=4 1818 B9R1.15 CNc1ccncc1N TS32563 [1,1,0,0,0,0|2,0,0]=4 1819 B9R1.15 COc1c(cccn1)Br TS65905 [1,1,0,0,0,0|2,0,0]=4 1820 B9R1.15 COc1c(cccn1)Cl TS65976 [1,1,0,0,0,0|2,0,0]=4 1821 B9R1.15 COc1c(cccn1)F TS36212 [1,1,0,0,0,0|2,0,0]=4 1822 B9R1.15 COc1c(cccn1)I TS02808 [1,1,0,0,0,0|2,0,0]=4 1823 B9R1.15 COc1c(cccn1)N TS02635 [1,1,0,0,0,0|2,0,0]=4 1824 B9R1.15 COc1ccccc1Br TS00023 [1,1,0,0,0,0|1,0,0]=3 1825 B9R1.15 COc1ccccc1Cl TS37688 [1,1,0,0,0,0|1,0,0]=3 1826 B9R1.15 COc1ccccc1F TS60288 [1,1,0,0,0,0|1,0,0]=3 1827 B9R1.15 COc1ccccc1I TS09308 [1,1,0,0,0,0|1,0,0]=3 1828 B9R1.15 COc1ccccc1N TS29238 [1,1,0,0,0,0|1,0,0]=3 1829 B9R1.15 COc1ccccc1N TS59329 [1,1,0,0,0,0|1,0,0]=3 1830 B9R1.15 COc1ccccc1P TS06425 [1,1,0,0,0,0|1,0,0]=3 1831 B9R1.15 COc1ccccc1S TS37393 [1,1,0,0,0,0|0,1,0]=3 1832 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,1,0,0,0,0|1,0,0]=3 1833 B9R1.15 COc1cccnc1Br TS08305 [1,1,0,0,0,0|2,0,0]=4 1834 B9R1.15 COc1cccnc1Cl TS55198 [1,1,0,0,0,0|2,0,0]=4 1835 B9R1.15 COc1cccnc1I TS25665 [1,1,0,0,0,0|2,0,0]=4 1836 B9R1.15 COc1cccnc1N TS47373 [1,1,0,0,0,0|2,0,0]=4 1837 B9R1.15 COc1cccnc1O TS55383 [1,1,0,0,0,0|1,0,0]=3 1838 B9R1.15 COc1ccncc1Br TS09454 [1,1,0,0,0,0|2,0,0]=4 1839 B9R1.15 COc1ccncc1I TS02810 [1,1,0,0,0,0|2,0,0]=4 1840 B9R1.15 COc1ccncc1N TS65861 [1,1,0,0,0,0|2,0,0]=4 1841 B9R1.15 CSc1ccccc1Br TS19526 [1,1,0,0,0,0|1,0,0]=3 1842 B9R1.15 CSc1ccccc1Cl TS42002 [1,1,0,0,0,0|1,0,0]=3 1843 B9R1.15 CSc1ccccc1F TS06689 [1,1,0,0,0,0|1,0,0]=3 1844 B9R1.15 CSc1ccccc1I TS27990 [1,1,0,0,0,0|1,0,0]=3 1845 B9R1.15 CSc1ccccc1O TS37395 [1,1,0,0,0,0|0,0,0]=2 1846 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,1,0,0,0,0|1,0,0]=3 1847 B9R1.15 Cc1c(cccn1)C#N TS60304 [1,1,0,0,0,0|2,0,0]=4 1848 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,1,0,0,0,0|1,0,1]=4 1849 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,1,0,0,0,0|2,0,0]=4 1850 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,1,0,0,0,0|2,0,0]=4 1851 B9R1.15 Cc1c(cccn1)CN TS32520 [1,1,0,0,0,0|2,0,0]=4 1852 B9R1.15 Cc1c(cccn1)CO TS04969 [1,1,0,0,0,0|1,0,0]=3 1853 B9R1.15 Cc1c(cccn1)OC TS04964 [1,1,0,0,0,0|1,0,0]=3 1854 B9R1.15 Cc1c(nccn1)CO TS88558 [1,1,0,0,0,0|2,0,0]=4 1855 B9R1.15 Cc1c(nccn1)OC TS55427 [1,1,0,0,0,0|2,0,0]=4 1856 B9R1.15 Cc1ccccc1C#C TS02442 [1,1,0,0,0,0|1,0,0]=3 1857 B9R1.15 Cc1ccccc1C#N TS04680 [1,1,0,0,0,0|1,0,0]=3 1858 B9R1.15 Cc1ccccc1C=C TS02453 [1,1,0,0,0,0|1,0,0]=3 1859 B9R1.15 Cc1ccccc1C=O TS04808 [1,1,0,0,0,0|0,0,1]=3 1860 B9R1.15 Cc1ccccc1CBr TS01133 [1,1,0,0,0,0|1,0,0]=3 1861 B9R1.15 Cc1ccccc1CCl TS37456 [1,1,0,0,0,0|1,0,0]=3 1862 B9R1.15 Cc1ccccc1CN TS04867 [1,1,0,0,0,0|1,0,0]=3 1863 B9R1.15 Cc1ccccc1CO TS04907 [1,1,0,0,0,0|0,0,0]=2 1864 B9R1.15 Cc1ccccc1CS TS06308 [1,1,0,0,0,0|0,1,0]=3 1865 B9R1.15 Cc1ccccc1NC TS32471 [1,1,0,0,0,0|1,0,0]=3 1866 B9R1.15 Cc1ccccc1NN TS60156 [1,1,0,0,0,0|1,0,0]=3 1867 B9R1.15 Cc1ccccc1OC TS32508 [1,1,0,0,0,0|0,0,0]=2 1868 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,1,0,0,0,0|1,0,0]=3 1869 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,1,0,0,0,0|1,0,0]=3 1870 B9R1.15 Cc1cccnc1C#N TS55290 [1,1,0,0,0,0|2,0,0]=4 1871 B9R1.15 Cc1cccnc1C=O TS70677 [1,1,0,0,0,0|1,0,1]=4 1872 B9R1.15 Cc1cccnc1CCl TS91176 [1,1,0,0,0,0|2,0,0]=4 1873 B9R1.15 Cc1cccnc1CN TS32513 [1,1,0,0,0,0|2,0,0]=4 1874 B9R1.15 Cc1cccnc1CO TS04977 [1,1,0,0,0,0|1,0,0]=3 1875 B9R1.15 Cc1cccnc1OC TS04965 [1,1,0,0,0,0|1,0,0]=3 1876 B9R1.15 Cc1ccncc1C#N TS66015 [1,1,0,0,0,0|2,0,0]=4 1877 B9R1.15 Cc1ccncc1C=O TS32454 [1,1,0,0,0,0|1,0,1]=4 1878 B9R1.15 Cc1ccncc1CCl TS88594 [1,1,0,0,0,0|2,0,0]=4 1879 B9R1.15 Cc1ccncc1CN TS04915 [1,1,0,0,0,0|2,0,0]=4 1880 B9R1.15 Cc1ccncc1CO TS04980 [1,1,0,0,0,0|1,0,0]=3 1881 B9R1.15 Cc1ccncc1NC TS04920 [1,1,0,0,0,0|2,0,0]=4 1882 B9R1.15 Cc1cnccc1C#N TS88896 [1,1,0,0,0,0|2,0,0]=4 1883 B9R1.15 Cc1cnccc1C=O TS02833 [1,1,0,0,0,0|1,0,1]=4 1884 B9R1.15 Cc1cnccc1CCl TS89010 [1,1,0,0,0,0|2,0,0]=4 1885 B9R1.15 Cc1cnccc1CN TS32519 [1,1,0,0,0,0|2,0,0]=4 1886 B9R1.15 Cc1cnccc1CO TS91100 [1,1,0,0,0,0|1,0,0]=3 1887 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,1,0,0,0,0|1,0,1]=4 1888 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,1,0,0,0,0|1,0,1]=4 1889 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [1,1,0,0,0,0|2,0,0]=4 1890 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [1,1,0,0,0,0|1,0,1]=4 1891 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,1,0,0,0,0|1,0,1]=4 1892 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [1,1,0,0,0,0|2,0,0]=4 1893 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [1,1,0,0,0,0|1,0,0]=3 1894 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [1,1,0,0,0,0|2,0,0]=4 1895 B9R1.15 c1cc(c(nc1)CN)F TS86282 [1,1,0,0,0,0|2,0,0]=4 1896 B9R1.15 c1cc(c(nc1)CO)F TS88540 [1,1,0,0,0,0|2,0,0]=4 1897 B9R1.15 c1cc(c(nc1)CO)N TS05011 [1,1,0,0,0,0|2,0,0]=4 1898 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,1,0,0,0,0|1,0,0]=3 1899 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,1,0,0,0,0|1,0,0]=3 1900 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [1,1,0,0,0,0|2,0,0]=4 1901 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,1,0,0,0,0|2,0,0]=4 1902 B9R1.15 c1cc(c(nc1)F)CN TS08409 [1,1,0,0,0,0|2,0,0]=4 1903 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,1,0,0,0,0|2,0,0]=4 1904 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [1,1,0,0,0,0|2,0,0]=4 1905 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,1,0,0,0,0|2,0,0]=4 1906 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [1,1,0,0,0,0|1,0,1]=4 1907 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,1,0,0,0,0|1,0,1]=4 1908 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,1,0,0,0,0|1,0,0]=3 1909 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,1,0,0,0,0|1,0,1]=4 1910 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,1,0,0,0,0|1,0,1]=4 1911 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,1,0,0,0,0|1,0,1]=4 1912 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,1,0,0,0,0|1,0,1]=4 1913 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,1,0,0,0,0|1,0,1]=4 1914 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,1,0,0,0,0|0,0,1]=3 1915 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,1,0,0,0,0|1,0,1]=4 1916 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,1,0,0,0,0|1,0,1]=4 1917 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,1,0,0,0,0|1,0,1]=4 1918 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,1,0,0,0,0|1,0,1]=4 1919 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,1,0,0,0,0|1,0,1]=4 1920 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,1,0,0,0,0|1,0,1]=4 1921 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,1,0,0,0,0|1,0,1]=4 1922 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,1,0,0,0,0|0,0,1]=3 1923 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,1,0,0,0,0|1,0,0]=3 1924 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,1,0,0,0,0|1,0,0]=3 1925 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,1,0,0,0,0|1,0,0]=3 1926 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,1,0,0,0,0|1,0,0]=3 1927 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,1,0,0,0,0|0,0,0]=2 1928 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,1,0,0,0,0|1,0,0]=3 1929 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,1,0,0,0,0|1,0,0]=3 1930 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,1,0,0,0,0|1,0,0]=3 1931 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,1,0,0,0,0|1,0,0]=3 1932 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,1,0,0,0,0|1,0,0]=3 1933 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,1,0,0,0,0|1,0,0]=3 1934 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,1,0,0,0,0|1,0,0]=3 1935 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,1,0,0,0,0|1,0,0]=3 1936 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,1,0,0,0,0|1,0,0]=3 1937 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,1,0,0,0,0|0,0,0]=2 1938 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,1,0,0,0,0|1,0,0]=3 1939 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,1,0,0,0,0|1,0,0]=3 1940 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,1,0,0,0,0|1,0,0]=3 1941 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,1,0,0,0,0|1,0,0]=3 1942 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,1,0,0,0,0|1,0,0]=3 1943 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,1,0,0,0,0|0,0,0]=2 1944 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,1,0,0,0,0|0,1,0]=3 1945 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,1,0,0,0,0|1,0,0]=3 1946 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,1,0,0,0,0|1,0,0]=3 1947 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,1,0,0,0,0|1,0,0]=3 1948 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,1,0,0,0,0|2,0,0]=4 1949 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,1,0,0,0,0|2,0,0]=4 1950 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,1,0,0,0,0|2,0,0]=4 1951 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,1,0,0,0,0|2,0,0]=4 1952 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,1,0,0,0,0|1,0,0]=3 1953 B9R1.15 c1cncc(c1C=O)O TS02800 [1,1,0,0,0,0|1,0,1]=4 1954 B9R1.15 c1cncc(c1CO)Br TS87802 [1,1,0,0,0,0|2,0,0]=4 1955 B9R1.15 c1cncc(c1CO)F TS90447 [1,1,0,0,0,0|2,0,0]=4 1956 B9R1.15 c1cncc(c1CO)N TS05021 [1,1,0,0,0,0|2,0,0]=4 1957 B9R1.15 c1cncc(c1CO)O TS05089 [1,1,0,0,0,0|1,0,0]=3 1958 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,1,0,0,0,0|2,0,0]=4 1959 B9R1.15 c1cncc(c1N)CN TS09431 [1,1,0,0,0,0|2,0,0]=4 1960 B9R1.15 c1cncc(c1N)CO TS32608 [1,1,0,0,0,0|2,0,0]=4 1961 B9R1.27 CCc1c(c[nH]c1C)C TS32587 [0,1,0,0,1,0|2,0,0]=4 1962 B9R1.37 CC1=C(C(=C(C1)C)C)C TS04927 [0,1,0,0,1,0|1,0,1]=4 1963 B9R1.37 Cc1c(c([nH]c1C)C)C TS32586 [0,1,0,0,1,0|2,0,0]=4 1964 B9R1.37 Cc1c(c(sc1C)C)C TS37430 [0,1,0,0,1,0|2,0,0]=4 1965 B9R1.37 Cc1c(sc(c1I)C)C TS63084 [0,1,0,0,1,0|2,0,0]=4 1966 B11R1.561 CC1=CC=CC(CC1=O)(C)C TS09927 [0,1,0,0,0,1|0,0,2]=4 1967 B11R1.8 COc1cc(cc(c1Cl)F)F TS14300 [0,2,0,0,0,0|2,0,0]=4 1968 B11R1.8 COc1cc(cc(c1F)F)Br TS50250 [0,2,0,0,0,0|2,0,0]=4 1969 B11R1.8 Cc1cc(c(c(c1)Br)O)C=O TS44640 [0,2,0,0,0,0|1,0,1]=4 1970 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [0,2,0,0,0,0|1,0,0]=3 1971 B11R1.8 Cc1cc(cc(c1F)C#N)F TS41238 [0,2,0,0,0,0|1,0,1]=4 1972 B11R1.8 Cc1cc(cc(c1I)OC)Cl TS54569 [0,2,0,0,0,0|1,0,0]=3 1973 B11R1.8 Cc1cc(cc(c1O)C=O)Br TS44642 [0,2,0,0,0,0|0,0,1]=3 1974 B11R1.8 Cc1cc(cc(c1O)C=O)Cl TS12919 [0,2,0,0,0,0|0,0,1]=3 1975 B11R1.8 Cc1cc(cc(c1O)C=O)F TS41352 [0,2,0,0,0,0|0,0,1]=3 1976 B11R1.8 Cc1cc(cc(c1O)OC)Br TS86158 [0,2,0,0,0,0|0,0,0]=2 1977 B11R1.8 c1c(cc(c(c1C#N)O)Br)Br TS02568 [0,2,0,0,0,0|1,0,1]=4 1978 B11R1.8 c1c(cc(c(c1C#N)O)Cl)Cl TS15895 [0,2,0,0,0,0|1,0,1]=4 1979 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br TS00126 [0,2,0,0,0,0|1,0,1]=4 1980 B11R1.8 c1c(cc(c(c1C=O)O)Br)Cl TS25789 [0,2,0,0,0,0|1,0,1]=4 1981 B11R1.8 c1c(cc(c(c1C=O)O)Cl)Cl TS17213 [0,2,0,0,0,0|1,0,1]=4 1982 B11R1.8 c1c(cc(c(c1C=O)O)F)Br TS49542 [0,2,0,0,0,0|1,0,1]=4 1983 B11R1.8 c1c(cc(c(c1C=O)O)I)I TS66953 [0,2,0,0,0,0|1,0,1]=4 1984 B11R1.8 c1c(cc(c(c1CBr)F)F)F TS65308 [0,2,0,0,0,0|2,0,0]=4 1985 B11R1.8 c1c(cc(c(c1CBr)O)Br)Br TS64454 [0,2,0,0,0,0|1,0,0]=3 1986 B11R1.8 c1c(cc(c(c1CN)F)F)F TS65307 [0,2,0,0,0,0|2,0,0]=4 1987 B11R1.8 c1c(cc(c(c1CO)Cl)Cl)Cl TS21189 [0,2,0,0,0,0|2,0,0]=4 1988 B11R1.8 c1c(cc(c(c1CO)N)Br)Br TS34269 [0,2,0,0,0,0|2,0,0]=4 1989 B11R1.8 c1c(cc(c(c1CO)O)Br)Br TS34374 [0,2,0,0,0,0|1,0,0]=3 1990 B11R1.8 c1c(cc(c(c1CO)O)Cl)Cl TS17606 [0,2,0,0,0,0|1,0,0]=3 1991 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,2,0,0,0,0|1,0,0]=3 1992 B11R1.13 CCNc1cccc(c1C)C TS40772 [0,2,0,0,0,0|1,0,0]=3 1993 B11R1.13 CCNc1cccc(c1Cl)Cl TS51011 [0,2,0,0,0,0|2,0,0]=4 1994 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,2,0,0,0,0|2,0,0]=4 1995 B11R1.13 Cc1cccc(c1C)CC#N TS07113 [0,2,0,0,0,0|1,0,0]=3 1996 B11R1.13 Cc1cccc(c1C)N=C=O TS40532 [0,2,0,0,0,0|1,0,1]=4 1997 B11R1.13 Cc1cccc(c1C)N=C=S TS42623 [0,2,0,0,0,0|1,0,1]=4 1998 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,2,0,0,0,0|0,0,0]=2 1999 B11R1.13 c1cc(c(c(c1)Cl)Cl)CC#N TS48825 [0,2,0,0,0,0|2,0,0]=4 2000 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [0,2,0,0,0,0|2,0,0]=4 2001 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [0,2,0,0,0,0|2,0,0]=4 2002 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N TS65487 [0,2,0,0,0,0|2,0,0]=4 2004 B11R1.13 c1cc(c(c(c1)F)F)CC#N TS02341 [0,2,0,0,0,0|2,0,0]=4 2005 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [0,2,0,0,0,0|2,0,0]=4 2006 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [0,2,0,0,0,0|2,0,0]=4 2007 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [0,2,0,0,0,0|2,0,0]=4 2008 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [0,2,0,0,0,0|2,0,0]=4 2009 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [0,2,0,0,0,0|2,0,0]=4 2010 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [0,2,0,0,0,0|2,0,0]=4 2011 B11R1.72 Cc1c(c(ccn1=O)Cl)OC TS09642 [0,2,0,0,0,0|2,0,0]=4 2012 B11R1.72 Cc1ccc(c(c1Cl)C=O)F TS13269 [0,2,0,0,0,0|1,0,1]=4 2013 B11R1.72 Cc1ccc(c(c1Cl)CBr)F TS56989 [0,2,0,0,0,0|1,0,0]=3 2014 B11R1.72 Cc1ccc(c(c1Cl)CN)F TS13419 [0,2,0,0,0,0|1,0,0]=3 2015 B11R1.72 Cc1ccc(c(c1Cl)CO)F TS13584 [0,2,0,0,0,0|1,0,0]=3 2016 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [0,2,0,0,0,0|1,0,0]=3 2017 B11R1.72 Cc1ccc(c(c1F)C=O)Cl TS13270 [0,2,0,0,0,0|1,0,1]=4 2018 B11R1.72 Cc1ccc(c(c1F)C=O)F TS10656 [0,2,0,0,0,0|1,0,1]=4 2019 B11R1.72 Cc1ccc(c(c1F)CBr)F TS65357 [0,2,0,0,0,0|1,0,0]=3 2020 B11R1.72 Cc1ccc(c(c1F)CN)F TS41755 [0,2,0,0,0,0|1,0,0]=3 2021 B11R1.72 Cc1ccc(c(c1F)CO)Cl TS13595 [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [0,2,0,0,0,0|1,0,0]=3 2023 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [0,2,0,0,0,0|1,0,0]=3 2024 B11R1.72 Cc1cnc(c(c1C=O)O)C TS40997 [0,2,0,0,0,0|1,0,1]=4 2025 B11R1.72 Cc1cnc(c(c1OC)C)Cl TS43391 [0,2,0,0,0,0|1,0,0]=3 2026 B11R1.72 c1cc(c(c(c1F)CBr)Cl)F TS65395 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.72 c1cc(c(c(c1F)CBr)F)Cl TS26733 [0,2,0,0,0,0|2,0,0]=4 2028 B11R1.72 c1cc(c(c(c1F)CBr)F)F TS02324 [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.72 c1cc(c(c(c1F)CN)Cl)F TS46350 [0,2,0,0,0,0|2,0,0]=4 2030 B11R1.72 c1cc(c(c(c1F)CN)F)Cl TS09347 [0,2,0,0,0,0|2,0,0]=4 2031 B11R1.72 c1cc(c(c(c1F)CN)F)F TS02323 [0,2,0,0,0,0|2,0,0]=4 2032 B11R1.72 c1cc(c(c(c1F)CO)Cl)F TS14302 [0,2,0,0,0,0|2,0,0]=4 2033 B11R1.72 c1cc(c(c(c1F)CO)F)Cl TS14301 [0,2,0,0,0,0|2,0,0]=4 2034 B11R1.72 c1cc(c(c(c1F)CO)F)F TS42386 [0,2,0,0,0,0|2,0,0]=4 2035 B11R1.72 c1cc(c(c(c1N)CN)Cl)Cl TS51242 [0,2,0,0,0,0|2,0,0]=4 2036 B11R1.159 B(c1cccc(c1C)C)(O)O TS47168 [0,2,0,0,0,0|2,0,0]=4 2037 B11R1.159 B(c1cccc(c1F)C)(O)O TS46400 [0,2,0,0,0,0|2,0,0]=4 2038 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [0,2,0,0,0,0|1,0,0]=3 2039 B11R1.159 B(c1cccc(c1O)F)(O)O TS41563 [0,2,0,0,0,0|2,0,0]=4 2040 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,2,0,0,0,0|2,0,0]=4 2041 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,2,0,0,0,0|2,0,0]=4 2042 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,2,0,0,0,0|1,0,0]=3 2045 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,2,0,0,0,0|1,0,0]=3 2046 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,2,0,0,0,0|1,0,0]=3 2047 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,2,0,0,0,0|1,0,0]=3 2048 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [0,2,0,0,0,0|1,0,0]=3 2049 B11R1.159 CN(C)c1cccc(c1Cl)Cl TS51013 [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,2,0,0,0,0|1,0,1]=4 2051 B11R1.159 Cc1cccc(c1Br)[N+](=O)[O-] TS08313 [0,2,0,0,0,0|2,0,0]=4 2052 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,2,0,0,0,0|1,0,0]=3 2053 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [0,2,0,0,0,0|1,0,1]=4 2054 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [0,2,0,0,0,0|1,0,1]=4 2055 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,2,0,0,0,0|1,0,1]=4 2056 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [0,2,0,0,0,0|1,0,0]=3 2057 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] TS02867 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,2,0,0,0,0|1,0,1]=4 2059 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] TS09268 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [0,2,0,0,0,0|1,0,1]=4 2061 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,2,0,0,0,0|1,0,1]=4 2062 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] TS08408 [0,2,0,0,0,0|2,0,0]=4 2063 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,2,0,0,0,0|1,0,1]=4 2064 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,2,0,0,0,0|1,0,1]=4 2065 B11R1.159 Cc1cccc(c1N)C(C)C TS55412 [0,2,0,0,0,0|1,0,0]=3 2066 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] TS59973 [0,2,0,0,0,0|2,0,0]=4 2067 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,2,0,0,0,0|0,0,1]=3 2068 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,2,0,0,0,0|0,0,1]=3 2069 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [0,2,0,0,0,0|0,0,0]=2 2070 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [0,2,0,0,0,0|1,0,0]=3 2071 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [0,2,0,0,0,0|1,0,1]=4 2072 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] TS08374 [0,2,0,0,0,0|2,0,0]=4 2073 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(Cl)Cl TS52919 [0,2,0,0,0,0|2,0,0]=4 2074 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [0,2,0,0,0,0|1,0,1]=4 2075 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] TS65408 [0,2,0,0,0,0|2,0,0]=4 2076 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [0,2,0,0,0,0|1,0,1]=4 2077 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] TS55373 [0,2,0,0,0,0|2,0,0]=4 2078 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [0,2,0,0,0,0|1,0,1]=4 2079 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [0,2,0,0,0,0|1,0,1]=4 2080 B11R1.265 COc1c(cccc1F)C#N TS40978 [0,2,0,0,0,0|1,0,1]=4 2081 B11R1.265 COc1c(cccc1F)C=O TS16737 [0,2,0,0,0,0|1,0,1]=4 2082 B11R1.265 COc1cccc(c1C#N)Cl TS12429 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.265 COc1cccc(c1C#N)F TS65425 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.265 COc1cccc(c1C=O)Cl TS12929 [0,2,0,0,0,0|1,0,1]=4 2085 B11R1.265 COc1cccc(c1C=O)F TS60286 [0,2,0,0,0,0|1,0,1]=4 2086 B11R1.265 COc1cccc(c1C=O)I TS29740 [0,2,0,0,0,0|1,0,1]=4 2087 B11R1.265 COc1cccc(c1C=O)O TS16696 [0,2,0,0,0,0|1,0,1]=4 2088 B11R1.265 COc1cccc(c1OC)Br TS49207 [0,2,0,0,0,0|1,0,0]=3 2089 B11R1.265 COc1cccc(c1OC)Cl TS45567 [0,2,0,0,0,0|1,0,0]=3 2090 B11R1.265 COc1cccc(c1OC)F TS41600 [0,2,0,0,0,0|1,0,0]=3 2091 B11R1.265 COc1cccc(c1OC)O TS41358 [0,2,0,0,0,0|1,0,0]=3 2092 B11R1.265 COc1ccnc(c1OC)Cl TS43725 [0,2,0,0,0,0|2,0,0]=4 2093 B11R1.265 Cc1cccc(c1OC)OC TS41140 [0,2,0,0,0,0|0,0,0]=2 2094 B11R1.267 CCc1cccc(c1Br)CC TS44297 [0,2,0,0,0,0|1,0,0]=3 2095 B11R1.267 CCc1cccc(c1N)CC TS40786 [0,2,0,0,0,0|1,0,0]=3 2096 B11R1.267 CCc1cccc(c1O)CC TS60244 [0,2,0,0,0,0|0,0,0]=2 2097 B11R1.267 COc1cccc(c1Br)OC TS49206 [0,2,0,0,0,0|1,0,0]=3 2098 B11R1.267 COc1cccc(c1Cl)OC TS09253 [0,2,0,0,0,0|1,0,0]=3 2099 B11R1.267 COc1cccc(c1F)C#N TS09288 [0,2,0,0,0,0|1,0,1]=4 2100 B11R1.267 COc1cccc(c1F)C=O TS55328 [0,2,0,0,0,0|1,0,1]=4 2101 B11R1.267 COc1cccc(c1N)C#N TS40629 [0,2,0,0,0,0|1,0,1]=4 2102 B11R1.267 COc1cccc(c1N)OC TS47315 [0,2,0,0,0,0|1,0,0]=3 2103 B11R1.267 COc1cccc(c1O)C#N TS40729 [0,2,0,0,0,0|0,0,1]=3 2104 B11R1.267 COc1cccc(c1O)CO TS10414 [0,2,0,0,0,0|0,0,0]=2 2105 B11R1.267 COc1cccc(c1O)OC TS10409 [0,2,0,0,0,0|0,0,0]=2 2106 B11R1.267 Cc1c(ccnc1CCl)OC TS85342 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.267 c1cc(c(c(c1)C=O)Cl)CF TS13267 [0,2,0,0,0,0|1,0,1]=4 2108 B11R1.267 c1cc(c(c(c1)C=O)O)C=O TS07651 [0,2,0,0,0,0|0,0,2]=4 2109 B11R1.267 c1cc(c(c(c1)CBr)F)CBr TS34376 [0,2,0,0,0,0|1,0,0]=3 2110 B11R1.278 COc1ccc(c(c1Br)F)F TS50251 [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.278 COc1ccc(c(c1Cl)Cl)Cl TS21187 [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.278 COc1ccc(c(c1F)F)Br TS50253 [0,2,0,0,0,0|2,0,0]=4 2113 B11R1.278 COc1ccc(c(c1F)F)F TS42384 [0,2,0,0,0,0|2,0,0]=4 2114 B11R1.278 COc1ccc(c(c1F)F)O TS42117 [0,2,0,0,0,0|2,0,0]=4 2115 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [0,2,0,0,0,0|1,0,0]=3 2116 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [0,2,0,0,0,0|1,0,0]=3 2117 B11R1.278 Cc1c(ccc(c1F)C#N)F TS22989 [0,2,0,0,0,0|1,0,1]=4 2118 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [0,2,0,0,0,0|1,0,1]=4 2119 B11R1.278 Cc1c(ccc(c1F)CN)F TS10831 [0,2,0,0,0,0|1,0,0]=3 2120 B11R1.278 Cc1c(ccc(c1F)F)C#N TS65448 [0,2,0,0,0,0|2,0,0]=4 2121 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.278 Cc1c(ccc(c1F)F)CO TS10935 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [0,2,0,0,0,0|0,0,1]=3 2124 B11R1.278 Cc1c(cnc(c1O)C)CO TS16251 [0,2,0,0,0,0|1,0,0]=3 2125 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [0,2,0,0,0,0|1,0,0]=3 2126 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [0,2,0,0,0,0|1,0,0]=3 2127 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.278 Cc1ccc(c(c1F)F)CBr TS23229 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.278 Cc1ccc(c(c1F)F)CN TS10830 [0,2,0,0,0,0|2,0,0]=4 2130 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [0,2,0,0,0,0|2,0,0]=4 2131 B11R1.278 c1cc(c(c(c1C#N)Br)O)N TS70871 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [0,2,0,0,0,0|1,0,1]=4 2133 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [0,2,0,0,0,0|1,0,1]=4 2134 B11R1.278 c1cc(c(c(c1CBr)F)F)F TS52108 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.278 c1cc(c(c(c1CCl)F)F)F TS47991 [0,2,0,0,0,0|2,0,0]=4 2136 B11R1.278 c1cc(c(c(c1CN)F)F)F TS42259 [0,2,0,0,0,0|2,0,0]=4 2137 B11R1.14 CC1=CC(=NO)C=C(C1=O)C TS10029 [0,2,0,0,0,0|0,0,1]=3 2138 B11R1.14 COc1cc(c(c(c1)Br)O)N TS01768 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.14 COc1cc(c(c(c1)Br)O)N TS28695 [0,2,0,0,0,0|2,0,0]=4 2140 B11R1.14 Cc1cc(cc(c1Br)C)C#N TS20834 [0,2,0,0,0,0|1,0,0]=3 2141 B11R1.14 Cc1cc(cc(c1Br)C)C=O TS09568 [0,2,0,0,0,0|1,0,0]=3 2142 B11R1.14 Cc1cc(cc(c1Br)C)OC TS21837 [0,2,0,0,0,0|1,0,0]=3 2143 B11R1.14 Cc1cc(cc(c1I)C)OC TS68561 [0,2,0,0,0,0|1,0,0]=3 2144 B11R1.14 Cc1cc(cc(c1N)C)C#N TS39730 [0,2,0,0,0,0|1,0,0]=3 2145 B11R1.14 Cc1cc(cc(c1N)Cl)C#N TS43157 [0,2,0,0,0,0|2,0,0]=4 2146 B11R1.14 Cc1cc(cc(c1O)C)C#N TS02367 [0,2,0,0,0,0|0,0,0]=2 2147 B11R1.14 Cc1cc(cc(c1O)C)C=O TS40860 [0,2,0,0,0,0|0,0,0]=2 2148 B11R1.14 Cc1cc(cc(c1O)C)N=O TS40998 [0,2,0,0,0,0|0,0,0]=2 2149 B11R1.14 Cc1cc(cc(c1O)Cl)C#N TS85977 [0,2,0,0,0,0|1,0,0]=3 2150 B11R1.14 c1c(cc(c(c1Br)O)Br)C#N TS02572 [0,2,0,0,0,0|2,0,0]=4 2151 B11R1.14 c1c(cc(c(c1Br)O)Br)C=O TS34165 [0,2,0,0,0,0|2,0,0]=4 2152 B11R1.14 c1c(cc(c(c1Br)O)Br)CN TS34270 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C#N TS15898 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C=O TS17214 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.14 c1c(cc(c(c1F)O)F)C=O TS02196 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.14 c1c(cc(c(c1I)O)I)C#N TS66853 [0,2,0,0,0,0|2,0,0]=4 2157 B11R1.14 c1c(cc(c(c1I)O)I)C=O TS66954 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.14 c1c(cc(c(c1O)O)Br)C=O TS22885 [0,2,0,0,0,0|2,0,0]=4 2159 B11R1.14 c1c(cc(c(c1O)O)Cl)C=O TS13253 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C TS09867 [0,2,0,0,0,0|0,0,1]=3 2161 B11R1.32 Cc1c(c(c(cc1Br)Br)N)C TS54198 [0,2,0,0,0,0|2,0,0]=4 2162 B11R1.32 Cc1c(c(c(cc1Br)N)N)C TS21839 [0,2,0,0,0,0|2,0,0]=4 2163 B11R1.32 Cc1c(c(cc(c1F)F)F)F TS11791 [0,2,0,0,0,0|2,0,0]=4 2164 B11R1.32 Cc1c(c(nc(c1Br)C)C)Br TS02566 [0,2,0,0,0,0|2,0,0]=4 2165 B11R1.32 Cc1c(c(nc(c1Br)N)C)Br TS54292 [0,2,0,0,0,0|2,0,0]=4 2166 B11R1.32 Cc1c(c(nc(c1Cl)N)C)Cl TS51243 [0,2,0,0,0,0|2,0,0]=4 2167 B11R1.32 Cc1c(cc(c(c1Br)N)Br)Br TS64400 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.32 Cc1c(cc(c(c1Br)O)Br)Br TS64457 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.32 Cc1c(cc(c(c1O)C)O)O TS10419 [0,2,0,0,0,0|0,0,0]=2 2170 B11R1.32 Cc1c(nc(c(c1Cl)C)Cl)C TS16294 [0,2,0,0,0,0|2,0,0]=4 2171 B11R1.32 Cc1c[n+](c(c(c1Cl)C)C)[O-] TS45377 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.32 Cc1cc(c(c(c1Br)Br)O)Br TS64455 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.32 Cc1cc(c(c(c1Br)C)Br)C TS33979 [0,2,0,0,0,0|1,0,0]=3 2174 B11R1.32 Cc1cc(c(c(c1C)Br)C)C TS44301 [0,2,0,0,0,0|1,0,0]=3 2175 B11R1.32 Cc1cc(c(c(c1C)Br)N)C TS21618 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.32 Cc1cc(c(c(c1C)C)C)C TS29497 [0,2,0,0,0,0|1,0,0]=3 2177 B11R1.32 Cc1cc(c(c(c1C)C)C)I TS29430 [0,2,0,0,0,0|1,0,0]=3 2178 B11R1.32 Cc1cc(c(c(c1C)I)C)C TS68334 [0,2,0,0,0,0|1,0,0]=3 2179 B11R1.32 Cc1cc(c(c(c1C)O)C)C TS09921 [0,2,0,0,0,0|0,0,0]=2 2180 B11R1.32 Cc1cc(c(c(c1Cl)Br)N)Br TS74532 [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.32 Cc1cc(c(c(c1Cl)C)Cl)F TS51584 [0,2,0,0,0,0|1,0,0]=3 2182 B11R1.32 Cc1cc(c(c(c1Cl)C)Cl)O TS51234 [0,2,0,0,0,0|1,0,0]=3 2183 B11R1.32 Cc1cc(c(c(c1F)F)F)F TS65294 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.32 Cc1cc(c(c(c1N)C)Br)C TS65478 [0,2,0,0,0,0|1,0,0]=3 2185 B11R1.32 Cc1cc(c(c(c1N)C)N)C TS02123 [0,2,0,0,0,0|1,0,0]=3 2186 B11R1.32 Cc1cc(c(c(c1O)C)C)Br TS21832 [0,2,0,0,0,0|0,0,0]=2 2187 B11R1.32 Cc1cc(c(c(c1O)C)C)O TS10191 [0,2,0,0,0,0|0,0,0]=2 2188 B11R1.32 Cc1cc(c(c(c1O)C)O)C TS41145 [0,2,0,0,0,0|0,0,0]=2 2189 B11R1.32 c1c(c(c(c(c1Cl)Cl)Cl)O)Cl TS25150 [0,2,0,0,0,0|2,0,0]=4 2190 B11R1.32 c1c(c(c(c(c1Cl)Cl)Cl)O)Cl TS28541 [0,2,0,0,0,0|2,0,0]=4 2191 B11R1.32 c1c(c(c(c(c1Cl)Cl)O)Cl)Cl TS25151 [0,2,0,0,0,0|2,0,0]=4 2192 B11R1.32 c1c(c(c(c(c1F)Cl)O)Cl)F TS18758 [0,2,0,0,0,0|2,0,0]=4 2193 B11R1.32 c1c(c(c(c(c1F)Cl)O)F)F TS15057 [0,2,0,0,0,0|2,0,0]=4 2194 B11R1.32 c1c(c(c(c(c1F)F)O)F)F TS38549 [0,2,0,0,0,0|2,0,0]=4 2195 B11R1.32 c1c(c(c(c(c1F)F)O)F)F TS40013 [0,2,0,0,0,0|2,0,0]=4 2196 B11R1.32 c1c(c(c(c(c1I)O)I)O)I TS83056 [0,2,0,0,0,0|2,0,0]=4 2197 B11R1.464 COc1c(cc(cc1Br)Br)Br TS64456 [0,2,0,0,0,0|2,0,0]=4 2198 B11R1.464 COc1c(cc(cc1Br)Br)F TS34682 [0,2,0,0,0,0|2,0,0]=4 2199 B11R1.464 COc1c(cc(cc1Br)F)Br TS34681 [0,2,0,0,0,0|2,0,0]=4 2200 B11R1.464 COc1c(cc(cc1Br)F)F TS16840 [0,2,0,0,0,0|2,0,0]=4 2201 B11R1.464 COc1c(cc(cc1Cl)Br)F TS57283 [0,2,0,0,0,0|2,0,0]=4 2202 B11R1.464 COc1c(cc(cc1Cl)Cl)Cl TS21186 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.464 COc1c(cc(cc1F)F)F TS42382 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.464 Cc1c(c(cc(n1)Cl)Cl)OC TS90452 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.464 Cc1cc(c(c(c1)C)C#C)C TS07006 [0,2,0,0,0,0|1,0,0]=3 2206 B11R1.464 Cc1cc(c(c(c1)C)C#N)C TS07126 [0,2,0,0,0,0|1,0,0]=3 2207 B11R1.464 Cc1cc(c(c(c1)C)C=C)C TS40457 [0,2,0,0,0,0|1,0,0]=3 2208 B11R1.464 Cc1cc(c(c(c1)C)C=O)C TS07475 [0,2,0,0,0,0|0,0,1]=3 2209 B11R1.464 Cc1cc(c(c(c1)C)CBr)C TS44302 [0,2,0,0,0,0|1,0,0]=3 2210 B11R1.464 Cc1cc(c(c(c1)C)CCl)C TS12632 [0,2,0,0,0,0|1,0,0]=3 2211 B11R1.464 Cc1cc(c(c(c1)C)CN)C TS07602 [0,2,0,0,0,0|1,0,0]=3 2212 B11R1.464 Cc1cc(c(c(c1)C)CO)C TS09925 [0,2,0,0,0,0|0,0,0]=2 2213 B11R1.464 Cc1cc(c(c(c1)C)CS)C TS43139 [0,2,0,0,0,0|0,1,0]=3 2214 B11R1.464 Cc1cc(c(c(c1)C)NN)C TS15740 [0,2,0,0,0,0|1,0,0]=3 2215 B11R1.464 Cc1cc(c(c(c1)C)[Mg]Br)C TS50358 [0,2,0,0,0,0|1,0,0]=3 2216 B11R1.464 Cc1cc(cc(c1C#N)Br)F TS16845 [0,2,0,0,0,0|2,0,0]=4 2217 B11R1.464 Cc1cc(cc(c1C#N)C)F TS07564 [0,2,0,0,0,0|1,0,0]=3 2218 B11R1.464 Cc1cc(cc(c1C#N)C)O TS39511 [0,2,0,0,0,0|1,0,0]=3 2219 B11R1.464 Cc1cc(cc(c1C=O)Br)F TS22164 [0,2,0,0,0,0|1,0,1]=4 2220 B11R1.464 Cc1cc(cc(c1C=O)C)F TS10164 [0,2,0,0,0,0|0,0,1]=3 2221 B11R1.464 Cc1cc(cc(c1C=O)C)O TS71151 [0,2,0,0,0,0|0,0,1]=3 2222 B11R1.464 Cc1cc(cc(c1CN)C)O TS41035 [0,2,0,0,0,0|1,0,0]=3 2223 B11R1.464 Cc1cc(cc(c1CO)C)F TS41378 [0,2,0,0,0,0|0,0,0]=2 2224 B11R1.464 Cc1cc(cc(c1CO)C)O TS10183 [0,2,0,0,0,0|0,0,0]=2 2225 B11R1.464 Cc1cc(cc(c1OC)C)Br TS21833 [0,2,0,0,0,0|0,0,0]=2 2226 B11R1.464 Cc1cc(cc(c1OC)C)I TS68560 [0,2,0,0,0,0|0,0,0]=2 2227 B11R1.464 Cc1cc(cc(c1OC)C)N TS10082 [0,2,0,0,0,0|0,0,0]=2 2228 B11R1.464 Cc1cc(cc(c1OC)C)S TS12579 [0,2,0,0,0,0|0,0,0]=2 2229 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [0,2,0,0,0,0|0,1,0]=3 2230 B11R1.464 c1c(cc(c(c1F)CO)F)Br TS60044 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.464 c1c(cc(c(c1F)CO)F)F TS11493 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.156 B(c1c(cccc1Br)Cl)(O)O TS56663 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.156 B(c1c(cccc1Br)F)(O)O TS49538 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.156 B(c1c(cccc1C)C)(O)O TS00702 [0,2,0,0,0,0|0,0,0]=2 2235 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O TS08781 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.156 B(c1c(cccc1Cl)F)(O)O TS55259 [0,2,0,0,0,0|2,0,0]=4 2237 B11R1.156 B(c1c(cccc1F)F)(O)O TS47307 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.156 B(c1c(ccnc1Cl)C)(O)O TS45373 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.156 B(c1c(ccnc1F)C)(O)O TS41476 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.156 B(c1c(cncc1F)C)(O)O TS16370 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.156 CC(c1c(cccc1Cl)Cl)O TS17226 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.156 Cc1c(c(ncn1)C)C(=O)O TS02937 [0,2,0,0,0,0|2,0,0]=4 2243 B11R1.156 Cc1cccc(c1C(=N)N)C TS40671 [0,2,0,0,0,0|1,0,0]=3 2244 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [0,2,0,0,0,0|0,0,1]=3 2245 B11R1.156 Cc1cccc(c1C(=O)N)Cl TS12721 [0,2,0,0,0,0|1,0,1]=4 2246 B11R1.156 Cc1cccc(c1C(=O)O)Br TS08368 [0,2,0,0,0,0|1,0,0]=3 2247 B11R1.156 Cc1cccc(c1C(=O)O)C TS47324 [0,2,0,0,0,0|0,0,0]=2 2248 B11R1.156 Cc1cccc(c1C(=O)O)Cl TS00931 [0,2,0,0,0,0|1,0,0]=3 2249 B11R1.156 Cc1cccc(c1C(=O)O)F TS55367 [0,2,0,0,0,0|1,0,0]=3 2250 B11R1.156 Cc1cccc(c1C(=O)O)N TS65371 [0,2,0,0,0,0|1,0,0]=3 2251 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [0,2,0,0,0,0|1,0,0]=3 2252 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br TS65911 [0,2,0,0,0,0|1,0,1]=4 2253 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C TS10017 [0,2,0,0,0,0|0,0,1]=3 2254 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl TS65982 [0,2,0,0,0,0|1,0,1]=4 2255 B11R1.156 Cc1cccc(c1[N+](=O)[O-])N TS70659 [0,2,0,0,0,0|1,0,1]=4 2256 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O TS93827 [0,2,0,0,0,0|1,0,1]=4 2257 B11R1.156 Cc1ccnc(c1C(=O)O)C TS00645 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.156 Cc1ccnc(c1C(=O)O)C TS15873 [0,2,0,0,0,0|1,0,0]=3 2259 B11R1.156 Cc1ccnc(c1C(=O)O)N TS41117 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.156 Cc1cncc(c1C(=O)O)C TS65820 [0,2,0,0,0,0|1,0,0]=3 2261 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br TS54283 [0,2,0,0,0,0|2,0,0]=4 2262 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl TS55141 [0,2,0,0,0,0|2,0,0]=4 2263 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F TS55145 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N TS44776 [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl TS47298 [0,2,0,0,0,0|2,0,0]=4 2266 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F TS45862 [0,2,0,0,0,0|2,0,0]=4 2267 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N TS00802 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [0,2,0,0,0,0|2,0,0]=4 2269 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F TS34651 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N TS08956 [0,2,0,0,0,0|2,0,0]=4 2271 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F TS73457 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.605 COCc1c(cccc1Cl)Cl TS51226 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.605 Cc1cccc(c1CC#N)C TS40327 [0,2,0,0,0,0|1,0,0]=3 2276 B11R1.605 Cc1cccc(c1N=C=O)C TS07325 [0,2,0,0,0,0|0,0,1]=3 2277 B11R1.605 Cc1cccc(c1N=C=O)Cl TS12431 [0,2,0,0,0,0|1,0,1]=4 2278 B11R1.605 Cc1cccc(c1N=C=S)C TS42621 [0,2,0,0,0,0|0,1,0]=3 2279 B11R1.605 Cc1cccc(c1N=C=S)Cl TS15196 [0,2,0,0,0,0|1,1,0]=4 2280 B11R1.605 Cc1cccc(c1NC=O)C TS40749 [0,2,0,0,0,0|0,0,1]=3 2281 B11R1.605 c1cc(c(c(c1)Cl)C=NO)Cl TS16276 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.605 c1cc(c(c(c1)Cl)C=NO)F TS13403 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl TS51230 [0,2,0,0,0,0|2,0,0]=4 2284 B11R1.605 c1cc(c(c(c1)Cl)CCO)F TS32915 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.605 c1cc(c(c(c1)Cl)CON)F TS94245 [0,2,0,0,0,0|2,0,0]=4 2286 B11R1.605 c1cc(c(c(c1)F)C=NO)F TS60246 [0,2,0,0,0,0|2,0,0]=4 2287 B11R1.605 c1cc(c(c(c1)F)CCO)F TS10936 [0,2,0,0,0,0|2,0,0]=4 2288 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [0,0,1,1,0,0|2,0,0]=4 2289 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [0,0,1,1,0,0|2,0,0]=4 2290 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,0,1,1,0,0|2,0,0]=4 2291 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,0,1,1,0,0|1,1,0]=4 2292 B9R1.5 c1ccc(c(=O)cc1)O TS32491 [0,0,1,1,0,0|1,0,1]=4 2293 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,0,1,1,0,0|1,0,1]=4 2294 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,0,1,1,0,0|2,0,0]=4 2295 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,0,1,1,0,0|2,0,0]=4 2296 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,0,1,1,0,0|2,0,0]=4 2297 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,0,1,1,0,0|2,0,0]=4 2298 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,0,1,1,0,0|2,0,0]=4 2299 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,1,0,0|1,0,0]=3 2300 B11R2.106 Cc1cccc2c1NCC2 TS39800 [0,1,0,1,0,0|1,0,0]=3 2301 B11R2.106 Cc1cccc2c1[nH]cc2 TS09161 [0,1,0,1,0,0|1,0,1]=4 2302 B11R2.106 Cc1cccc2c1[nH]nc2 TS55690 [0,1,0,1,0,0|1,0,1]=4 2303 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [0,1,0,1,0,0|1,0,1]=4 2304 B11R2.106 Cc1cccc2c1ccs2 TS60064 [0,1,0,1,0,0|1,0,1]=4 2305 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [0,1,0,1,0,0|2,0,0]=4 2306 B11R2.106 Cc1cccc2c1n[nH]n2 TS93653 [0,1,0,1,0,0|2,0,0]=4 2307 B11R2.106 Cc1cccc2c1nsn2 TS09906 [0,1,0,1,0,0|1,1,0]=4 2308 B11R2.106 Cc1cccc2c1scc2 TS07497 [0,1,0,1,0,0|0,1,1]=4 2309 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [0,1,0,1,0,0|2,0,0]=4 2310 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [0,1,0,1,0,0|2,0,0]=4 2311 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [0,1,0,1,0,0|1,0,0]=3 2312 B11R2.106 c1cc(c2c(c1)non2)N TS05976 [0,1,0,1,0,0|2,0,0]=4 2313 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [0,1,0,1,0,0|2,0,0]=4 2314 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [0,1,0,1,0,0|2,0,0]=4 2315 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS53948 [0,1,0,1,0,0|2,0,0]=4 2316 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS56566 [0,1,0,1,0,0|2,0,0]=4 2317 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [0,1,0,1,0,0|1,0,0]=3 2318 B11R2.106 c1cc2c(c(c1)Br)ocn2 TS53947 [0,1,0,1,0,0|1,0,1]=4 2319 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [0,1,0,1,0,0|2,0,0]=4 2320 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [0,1,0,1,0,0|2,0,0]=4 2321 B11R2.106 c1cc2c(c(c1)Cl)CNC2 TS51016 [0,1,0,1,0,0|2,0,0]=4 2322 B11R2.106 c1cc2c(c(c1)Cl)non2 TS10524 [0,1,0,1,0,0|2,0,0]=4 2323 B11R2.106 c1cc2c(c(c1)F)CNC2 TS45698 [0,1,0,1,0,0|2,0,0]=4 2324 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [0,1,0,1,0,0|2,0,0]=4 2325 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [0,1,0,1,0,0|2,0,0]=4 2326 B11R2.106 c1cc2c(c(c1)N)NCC2 TS20315 [0,1,0,1,0,0|2,0,0]=4 2327 B11R2.106 c1cc2cnoc2c(c1)O TS05967 [0,1,0,1,0,0|1,0,1]=4 2328 B11R2.173 C=Cc1cccc2c1CC2 TS60073 [0,1,0,1,0,0|1,0,1]=4 2329 B11R2.173 c1cc2c(c(c1)CO)CC2 TS03126 [0,1,0,1,0,0|1,0,0]=3 2330 B7R1.2 Cc1c[nH]c(n1)C TS00643 [1,0,0,0,1,0|2,0,0]=4 2331 B7R1.2 Cc1cc([nH]c1)C TS00646 [1,0,0,0,1,0|1,0,0]=3 2332 B7R1.2 Cc1cc(cs1)Br TS70964 [1,0,0,0,1,0|2,0,0]=4 2333 B7R1.2 Cc1cc(n[nH]1)C TS65819 [1,0,0,0,1,0|2,0,0]=4 2334 B7R1.2 Cc1cc(on1)C TS08855 [1,0,0,0,1,0|2,0,0]=4 2335 B7R1.2 Cc1cc(sc1)C TS04334 [1,0,0,0,1,0|1,0,0]=3 2336 B7R1.2 Cc1ccc([nH]1)C TS59928 [1,0,0,0,1,0|1,0,0]=3 2337 B7R1.2 Cc1ccc(o1)C TS31370 [1,0,0,0,1,0|1,0,0]=3 2338 B7R1.2 Cc1ccc(s1)Br TS55129 [1,0,0,0,1,0|2,0,0]=4 2339 B7R1.2 Cc1ccc(s1)C TS04332 [1,0,0,0,1,0|1,0,0]=3 2340 B7R1.2 Cc1ccc(s1)Cl TS00916 [1,0,0,0,1,0|2,0,0]=4 2341 B7R1.2 Cc1ccc(s1)I TS23773 [1,0,0,0,1,0|2,0,0]=4 2342 B7R1.2 Cc1ccn(n1)C TS39993 [1,0,0,0,1,0|2,0,0]=4 2343 B7R1.2 Cc1cnc(s1)C TS32026 [1,0,0,0,1,0|2,0,0]=4 2344 B7R1.2 Cc1cnn(c1)C TS31378 [1,0,0,0,1,0|2,0,0]=4 2345 B7R1.2 Cc1coc(n1)C TS31396 [1,0,0,0,1,0|2,0,0]=4 2346 B7R1.2 Cc1csc(n1)C TS00648 [1,0,0,0,1,0|2,0,0]=4 2347 B7R1.2 Cn1cc[n+](c1)C TS07882 [1,0,0,0,1,0|2,0,0]=4 2348 B7R1.2 Cn1cc[n+](c1)C TS94116 [1,0,0,0,1,0|2,0,0]=4 2349 B7R1.4 Cc1c(cco1)S TS32089 [1,0,0,0,1,0|2,0,0]=4 2350 B7R1.4 Cc1c(cco1)S TS41631 [1,0,0,0,1,0|2,0,0]=4 2351 B7R1.4 Cc1c(ccs1)S TS59980 [1,0,0,0,1,0|2,0,0]=4 2352 B7R1.4 Cc1c(nc[nH]1)C TS31375 [1,0,0,0,1,0|2,0,0]=4 2353 B7R1.4 Cc1c(ocn1)C TS31395 [1,0,0,0,1,0|2,0,0]=4 2354 B7R1.4 Cc1c(scn1)C TS32025 [1,0,0,0,1,0|2,0,0]=4 2355 B7R1.4 Cc1c[nH]cc1C TS89902 [1,0,0,0,1,0|1,0,0]=3 2356 B7R1.4 Cc1ccnn1C TS46819 [1,0,0,0,1,0|2,0,0]=4 2357 B7R1.4 Cc1ccoc1C TS31373 [1,0,0,0,1,0|1,0,0]=3 2358 B7R1.4 Cc1ccsc1Br TS08660 [1,0,0,0,1,0|2,0,0]=4 2359 B7R1.4 Cc1ccsc1C TS04331 [1,0,0,0,1,0|1,0,0]=3 2360 B7R1.4 Cc1ccsc1Cl TS36735 [1,0,0,0,1,0|2,0,0]=4 2361 B7R1.4 Cc1cscc1Br TS09459 [1,0,0,0,1,0|2,0,0]=4 2362 B7R1.4 Cc1cscc1C TS59997 [1,0,0,0,1,0|1,0,0]=3 2363 B7R1.4 Cc1nccn1C TS31380 [1,0,0,0,1,0|2,0,0]=4